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Computational-assisted molecular design, synthesis and application of benzobisthiadiazole-based near-infrared dye in electrowetting displays

Mol. Syst. Des. Eng., 2024, 9,1144-1154
DOI: 10.1039/D4ME00115J, Paper
Junheng Chen, Haoteng Lin, Xintong Wang, Dinggui He, Baoyi Luo, Yuanyuan Guo, Wangqiao Chen, Guofu Zhou
Computational-assisted molecular design of benzobisthiadiazole-based donor–acceptor–donor type near-infrared dyes, their synthesis and application as colored inks in electrowetting displays.
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Design strategy and molecular level understanding: hole transport materials with suitable transition dipole orientation for OLEDs

Mol. Syst. Des. Eng., 2024, 9,1116-1129
DOI: 10.1039/D3ME00127J, Paper
Krishan Kumar, Sunil Kumar, Anirban Karmakar, Dipanshu Sharma, Feng-Rong Chen, Mangey Ram Nagar, Jwo-Huei Jou, Subrata Banik, Subrata Ghosh
A combined experimental and theoretical study on a group of phenothiazine-substituted pyridine is reported.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Crafting porous nanoscaled architecture as a potential frontier for drug delivery

Mol. Syst. Des. Eng., 2024, 9,1085-1106
DOI: 10.1039/D4ME00098F, Review Article
Koyeli Girigoswami, Pragya Pallavi, Agnishwar Girigoswami
Porous nanostructures exhibit remarkable nanoplatforms for payload delivery to diseased cells with high loading capacity, favorable release profiles, improved hemocompatibility, biocompatibility, and safe clearance after biodegradation.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Self-supervised graph neural networks for polymer property prediction

Mol. Syst. Des. Eng., 2024, 9,1130-1143
DOI: 10.1039/D4ME00088A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Qinghe Gao, Tammo Dukker, Artur M. Schweidtmann, Jana M. Weber
Self-supervised learning for polymer property prediction in scarce data domains.
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Construction of amide-bonded supramolecular multifunctional fillers towards boosted self-healing, thermal conductivity and dielectric properties

Mol. Syst. Des. Eng., 2024, 9,1167-1178
DOI: 10.1039/D4ME00114A, Paper
Junlong Yao, Zongqiang Fu, Huan Yang, Lin Gao, Xueliang Jiang, Wei Nie, Zhengguang Sun, Haolan Lu, Meiyun Lin, Jinglou Xu
The two modified fillers effectively improved the self-healing efficiency, dielectric properties and thermal conductivity of the supramolecular composites by forming a synergistic effect of amide bonds.
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Selective mineralization at hydrogel interface induced by fusion between peptide hydrogels

Mol. Syst. Des. Eng., 2024, 9,1107-1115
DOI: 10.1039/D4ME00112E, Paper
Yongbaek Kim, Hiroto Isobe, Keishi Nishio, Kazuki Murai
Biomineralization has garnered attention not only for its fundamental role in understanding the mechanisms of biomineral formation but also as a method for fabricating next-generation functional materials.
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Dual responsive fluorescence switching of organohydrogel towards base/acid

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00067F, Communication
Manish Kumar Dixit, Moupia Mukherjee, Bharat Kumar Sahu, Abul Kalam, Mrigendra Dubey
Herein, we report a dual acid/base responsive fluorescent and simultaneous reversible phase transformative organohydrogel (OHG).
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DORA-XGB: An improved enzymatic reaction feasibility classifier trained using a novel synthetic data approach

Mol. Syst. Des. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4ME00118D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yash Chainani, Joseph Ni, Kevin Shebek, Keith Tyo, Linda J. Broadbelt
Retrobiosynthesis tools harness the inherent promiscuities of enzymes for the de novo design of novel biosynthetic pathways to key small molecules. Many existing pathway search algorithms rely on exhaustively enumerating...
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Unveiling the influence of oxidation state and heavy atom effects in chalcogen group on boron centered D(X)BNA core: a computational study on RTP versus TADF

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00131A, Paper
Ramalingam Mahaan, Murugesan Panneerselvam, Luciano T. Costa, Aruljothy John Bosco
The effects of heavy atoms and oxidation states in chalcogen groups on D(X)BNA cores, combined with substitutions of weak and strong donors, led to the identification of potential TADF and RTP molecules among the 14 molecules.
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Development of xanthan gum-based solid desiccants for the extraction of water vapors from humid air

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00134F, Paper
Hemant Mittal, Ali Al Alili, Saeed M. Alhassan, Naved I. Malek, Md. Didarul Islam
A xanthan gum-acrylamide desiccant with interconnected capillary channels was prepared and showed 1.38 g g−1 water adsorption at 90% RH and 25 °C, retaining 70% capacity over 20 cycles, proving its effectiveness as a salt-free desiccant.
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Le tout-en-un SÉSAME - 39 sujets blancs - Écrits et oraux - Tutos offerts

25,00 €

René Guimet, Jean-Dominique Picchiottino, Sophie Mattern, Marie-Laure Boursat, Benoît Thierry-Hildenbrand, Anne-Marie Bonnerot, Dominique Dumas, Loris Sirieix
8e édition
octobre 2024
352 pages
Visez l'excellence au Sésame grâce à notre équipe d'experts !
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978-2-311-21959-3
Concours 2025
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Le tout-en-un ACCES - 24 sujets blancs - Ecrits et oraux - Tutos offerts

25,90 €

Jean-Dominique Picchiottino, Sophie Mattern, Marie-Laure Boursat, Benoît Thierry-Hildenbrand, Anne-Marie Bonnerot, Clara Vinh
8e édition
octobre 2024
344 pages
Le Tout-en-un pour réussir les épreuves du concours ACCÈS : tout le cours et des entraînements intensifs !
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978-2-311-21960-9
ESDES, ESSCA, IESEG - Concours 2025
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DECESF - DC 1 à 4 - Préparation complète pour réussir sa formation - Tout-en-un 2025-2026

22,90 €15,00 €

Agnès Fostel, Gladys Bugeault, Véronique Fauconnet, Brigitte Gautier, Karl Grux, Martine Le Manach, Line Mariale, Dalila Mechaheb, Antoine Pétard, Anne Rachel Tournier, Roselyne Vuagnat
5e édition
octobre 2024
256 pages
Un livre complet pour préparer le diplôme d'État de conseiller en économie sociale familiale (DECESF) !
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Je réussis à entrer en IFAS-IFAP : dossier et entretien oral

16,90 €

Marion Gauthier, Mandi Gueguen
3e édition
octobre 2024
256 pages
Tout pour réussir votre entrée en IFAS-IFAP et devenir aide-soignant ou auxiliaire de puériculture !
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978-2-311-21965-4
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Je réussis à entrer en IFSI avec Parcoursup 2025

16,90 €

Marion Gauthier, Mandi Gueguen, Sébastien Drevet
7e édition
octobre 2024
272 pages
L'essentiel pour optimiser vos chances d'entrer en IFSI et devenir infirmier avec la procédure Parcoursup !
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Institut en formation de soins infirmiers
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Ludopédagogie en santé : pour les formations en santé

22,00 €

Garry Laudren, Alexandre Niggel
1re édition
novembre 2024
136 pages
Créez des expériences ludiques pour révolutionner l'apprentissage en santé !
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978-2-311-66545-1
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IADE, Infirmier anesthésiste : S'entraîner à la pratique clinique avec 20 cas concrets

19,90 €

Garry Laudren, Michaël Mimouni
1re édition
novembre 2024
176 pages
Le tout premier cahier d’exercices pour s’entraîner à la pratique et au raisonnement clinique IADE
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978-2-311-66519-2
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Indicative of Supremacy




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Import of true renunciation




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Infinite are His names




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Beneficial samskaras




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Reward for a bhakta




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Power of Rama Bhakti




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Qualities of great men




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Adoration for Siva




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Power of atma jnana




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Blessed and fortunate




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Effect of Grace




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Effect of Grace




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Revelation of Cosmic form




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Significance of Saranagati




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Reverence for Acharyas




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Mother Teresa declared Saint Teresa of Calcutta

In his homily after Mother Teresa’s canonisation, Pope Francis admitted even he would find it hard to call her “St. Teresa” since her tenderness was so maternal.




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Purpose of rituals




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Songs of devotion at Kalpathy fete

The annual Kalpathy Bhajanotsavam in Palakkad was composed of musicality and piety




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Faith is indispensible




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Analogy of two birds




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Significance of sacrifice




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Prerequisites for liberation




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Prerequisites for liberation




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Merits of generosity




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The sole refuge




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Path of ruin




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Mystery of creation




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Seeds of good conduct




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Worship of Devi




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Knowledge of immortal atma




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Living in Saranagati – the sage of Annakara

A homage to Sri Gnananda Sarasvathi, who attained siddi recently.




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Hallmarks of great works




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For the welfare of all