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Crystals
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Synthesis of Liquid Crystals and Cellulose Derivatives Liquid Crystalline Phases:...
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Special Issue "Synthesis of Liquid Crystals and Cellulose Derivatives Liquid Crystalline Phases: Recent Advances"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Liquid Crystals".

Deadline for manuscript submissions: 30 September 2023 | Viewed by 822

Special Issue Editors

Dr. Ana Almeida

E-Mail Website
Guest Editor
1. LAQV/Requimte, Department of Chemistry, NOVA School of Science and Technology, Caparica, Portugal
2. CENIMAT|i3N, Department of Materials Science, School of Science and Technology, NOVA University Lisbon, Lisbon, Portugal
3. iBET Instituto de Biologia Experimental e Tecnológica, Oeiras, Portugal
Interests: cellulose; membranes; active materials; liquid crystals; nature-inspired; fibers
Prof. Dr. Pedro De Almeida

E-Mail Website
Guest Editor
1. Physics Department, Lisbon Superior Institute of Engineering, Rua Conselheiro Emídio Navarro, 1 1959-007 Lisboa, Portugal
2. i3N, CENIMAT, Materials Science Department, Faculty of Sciences and Technology, NOVA University of Lisbon, Campus da Caparica, 2829-516 Caparica, Portugal
Interests: liquid crystals; liquid crystals applications; polymeric materials; liquid crystalline polymers; cellulosic materials and derivatives; cellulosic liquid crystals; solid state NMR; Rheo-NMR; electro-optical properties; anisotropic mechanical properties; mechano-optical properties
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Liquid crystals (LCs) have become an important part of our daily life and are widely known due to their applications in, for example, display technology. New areas of application continue to be discovered due to important improvements in organic synthesis. This Special Issue will explore the progress that has been made in the production LCs in a more efficient and more environmentally friendly way when compared to conventional methods.

Cellulose is the most abundant biopolymer on Earth. Its chemical versatility allows for the production of a wide variety of cellulose derivatives that can present LCs phases. The relationship between molecular interactions and physical properties represents an important challenge in LC applications. This Special Issue aims to highlight recent developments and novel trends in the organic synthesis of LCs organic and the cellulose derivatives that present LC phases, as well as their application in numerous areas, such as active nature-inspired materials.

We would be delighted to feature your work and hope that you will contribute an original research article/review or a less time-consuming mini-review/perspective.

Dr. Ana Almeida
Prof. Dr. Pedro De Almeida
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • liquid crystal materials
  • nature-inspired liquid crystals
  • cellulose
  • cellulose derivatives
  • stimuli-responsive liquid crystals
  • active materials

Published Papers (1 paper)

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Article
Neuro-Evolutive Modeling of Transition Temperatures for Five-Ring Bent-Core Molecules Derived from Resorcinol
by
Elena Niculina Drăgoi
,
Irina Cârlescu
,
Răzvan Puf
,
Tudor Vasiliu
and
Elena-Luiza Epure
Crystals 2023, 13(4), 583; https://doi.org/10.3390/cryst13040583 - 29 Mar 2023
Viewed by 552
Abstract
Determining the phase transition temperature of different types of liquid crystals based on their structural parameters is a complex problem. The experimental work might be eliminated or reduced if prediction strategies could effectively anticipate the behavior of liquid crystalline systems. Neuro-evolutive modeling based [...] Read more.
Determining the phase transition temperature of different types of liquid crystals based on their structural parameters is a complex problem. The experimental work might be eliminated or reduced if prediction strategies could effectively anticipate the behavior of liquid crystalline systems. Neuro-evolutive modeling based on artificial neural networks (ANN) and a differential evolution (DE) algorithm was applied to predict the phase transition temperatures of bent-core molecules based on their resorcinol core. By these means, structural parameters such as the nature of the linking groups, the position, size and number of lateral substituents on the central core or calamitic wings and the length of the terminal chains were taken into account as factors that influence the liquid crystalline properties. A number of 172 bent-core compounds with symmetrical calamitic wings were selected from the literature. All corresponding structures were fully optimized using the DFT, and the molecular descriptors were calculated afterward. In the first step, the ANN-DE approach predicted the mesophase presence for the analyzed compounds. Next, ANN models were determined to predict the transition temperatures and whether or not the bent-core compounds were mesogenic. Simple structural, thermophysical and electronic structure descriptors were considered as inputs in the dataset. As a result, the models determined for each individual temperature have an R2 that varied from 0.89 to 0.98, indicating their capability to estimate the transition temperatures for the selected compounds. Moreover, the impact analysis of the inputs on the predicted temperatures showed that, in most cases, the presence or not of liquid crystalline properties represents the most influential feature. Full article
(This article belongs to the Special Issue Synthesis of Liquid Crystals and Cellulose Derivatives Liquid Crystalline Phases: Recent Advances)
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