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Base-Promoted Cascade 5-exo-dig Annulation/Carboxylation of o-(1-Alkynyl)benzenesulfonamides with CO2: Divergent Synthesis of Mono- or Gem-dicarboxylic Esters

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05239K, Communication
Yang Yao, Junxue Bai, Peidong Cheng, Han Yang, Jianwei Sun, Song Sun
A base-promoted cascade 5-exo-dig cyclization/carboxylation of o-alkynylsulfamides with CO2 has been accomplished, furnishing a variety of benzosultams-containing acrylates in good yields by using CO2 as the carboxylic source. Notably, in...
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Machine Learning Directed Discovery and Optimisation of a Platinum-Catalysed Amide Reduction

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05273K, Communication
Open Access
Eleonora Casillo, Benon Maliszewski, Cesar Blanco, Thomas Scattolin, Catherine Cazin, Steven P Nolan
The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst....
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Sandwich structured Fe3O4@C@MoSe2 architecture for efficient lithium-ion storage

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC04631E, Communication
Linan Yang, Chengjie Zhang, Liuyang Cao, Rong Xu, Hongbo Li, Zhanjun Yang, Juan Li
A unique sandwich structure Fe3O4@C@MoSe2 architecture is proposed for high-performance lithium storage. Carbon shell as the connection of in/external structures can not only improve the overall conductivity, but also alleviate...
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Tuneable Sulfonated Hypercrosslinked Polymers for Selective Esterification: Insights into Performance and Stability

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05208K, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Paul Schweng, Dorian Guerin-Faucheur, Freddy Kleitz, Robert Thomas Woodward
We report sulfonated hypercrosslinked polymers (SHCPs) as heterogeneous catalysts for the selective esterification of hexanoic acid with benzyl alcohol. The SHCPs demonstrate tuneable catalytic activity and selectivity, outperforming conventional acid...
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Axial oxygen-bridged FeN4O/NC produced by ultrafast joule heating for efficient oxygen reduction reaction

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05604C, Communication
Feng Liu, Xinyu Guo, Yan Zhong, Shaqi Fu, Jingsha Li, Chunmei Zhang, Heng Zhang, Fenghui Ye, Shuai Yuan, Chuangang Hu, Chunxian Guo
Herein, we report an atomically dispersed Fe-N-C catalyst with axial oxygen ligands (FeN4O/NC) firstly synthesized by ultrafast joule heating. The formation of oxygen species between FeN4 and graphene, which offers...
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Copper nanoclusters: emerging photoredox catalysts for organic bond formations

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC04774E, Feature Article
Open Access
Arunachalam Sagadevan, Kathiravan Murugesan, Osman M. Bakr, Magnus Rueping
In this feature article, we provide an overview of the photocatalytic capabilities of copper-based nanoclusters for organic bond-forming reactions.
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Li2NbHO2: a new transition-metal oxyhydride with rock-salt-type structure

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05503A, Communication
F Takeiri, Keiko KUSUMOTO, Kosuke Kawai, Hiroshi Yaguchi, Takashi Saito, Kazuhiro Mori, Saburo Hosokawa, Masashi Okubo, Genki Kobayashi
Transition-metal oxyhydrides are an emerging class of functional materials; however, the known compounds have mostly been limited to perovskite-type structures. Here, we successfully synthesized Li2NbHO2, the first example of a...
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Laccase-catalyzed tyrosine click reaction with 1-methyl-4-arylurazole: rapid labeling on protein surfaces

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC03802A, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Keita Nakane, Chizu Fujimura, Shogo Miyano, Zhengyi Liu, Tatsuya Niwa, Hafumi Nishi, Tetsuya Kadonosono, Hideki Taguchi, Shusuke Tomoshige, Minoru Ishikawa, Shinichi Sato
Our study shows efficient tyrosine labeling using 1-methyl-4-arylurazole (MAUra) with laccase under mild conditions. This method achieves a high efficiency (kcat/Km = 7.88 × 104 M−1 s−1), selectively targeting exposed tyrosine sites on proteins.
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Iron-catalysed intramolecular C(sp3)–H amination of alkyl azides

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC04169K, Feature Article
Open Access
Kai Wu, Chi-Ming Che
This review summarizes recent major advances in iron-catalysed C–H aminations of alkyl azides through iron–alkylnitrene/alkylimido intermediates to access various N-heterocycles.
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Positional effects of electron-donating and withdrawing groups on the photophysical properties of single benzene fluorophores

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC04451G, Communication
Dopil Kim, Jun Yeong Kim, Haein Kim, Eunjin Jeong, Minhyuk Lee, Dongwook Kim, JunWoo Kim, Myung Hwan Park, Min Kim
We investigated how the positional arrangement of electron-donating (amino) and electron-withdrawing (ester) groups in single benzene-based fluorophores influences their emission properties. By synthesizing 26 regioisomeric fluorophores, we achieved wavelength modulation...
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Sustainable Production of Aromatic Chemicals from Lignin using Enzymes and Engineered Microbes

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05064A, Feature Article
Open Access
Timothy D.H. Bugg, Victoria Sodré
Lignin is an aromatic biopolymer found in plant cell walls, that is the must abundant source of renewable aromatic carbon in the biosphere. Hence there is considerable interest in the...
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Reconsider decision to distribute fortified rice through PDS in Wayanad: Shreyams Kumar

Health issues, social impact not considered, says LJD State president




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Dawat-e-Hyderabadi with ladies of Luqma kitchen studio

Traditional Hyderabadi dishes include much more than dum biryani, proves a team of women at Luqma kitchen studio



  • Life & Style

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Predictions for 2023: AI, VR boom in hospitality, wellness and gaming, and Balenciaga in India

This is the time of year when that we draw up the Best Of 2022 lists, and trend forecasts for 2023. And But how do you predict the unpredictable? We start with gains from the past.



  • Life & Style

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Chances of infection: food safety squad continues aggressive checking in eateries

Nearly 70 shops dealing with food-based business inspected; flash inspections conducted considering the crowd turnout for Kerala State School Kalolsavam




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How Pune is becoming a dining destination, drawing cosmopolitan bar hoppers

With a heady mix of craft beer, high energy spaces and unique cocktail programmes, Pune cracks the cocktail code




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The origins of the Bengali tradition of ‘cha-ta’ may be colonial

Evenings snacks are a serious business with Bengali cha and the tradition may have something to do with the high tea of the Brits




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Creating a JavaScript promise from scratch, Part 7: Unhandled rejection tracking

When promises were introduced in ECMAScript 2015, they had an interesting flaw: if a promise didn’t have a rejection handler and was later rejected, you would have no idea. The rejection silently occurred behind the scenes and, therefore, could easily be missed. The best practice of always attaching rejection handlers to promises emerged due to...




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Setting up a Rust development environment with Visual Studio Code

When I decided to teach myself Rust, I naturally started looking around at what editors I could use. It turned out that most of the folks I asked online were still using Visual Studio Code for Rust. To my surprise, though, setting up a complete development environment in Visual Studio Code wasn’t as straightforward as...




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Enhanced glucose-responsivity of PBA–diol hydrogel networks by reducing crosslink affinity

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00106K, Paper
Open Access
Sijie Xian, Yuanhui Xiang, Svenja Deichmann, Matthew J. Webber
New diol chemistries are explored for insulin delivery from glucose-responsive hydrogels comprised of dynamic-covalent crosslinking interactions between phenylboronic acids and diols.
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The structural, electronic and thermodynamic properties of the designed p-benzoquinone based dicationic ionic liquids: insight from DFT–GD3 and QTAIM

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00119B, Paper
Hossein Roohi, Sajedeh Habibipour, Khatereh Ghauri
In this work, physicochemical properties of the dicationic ionic liquids [BTAD][A1–8]2 ([BTAD]2+ = [p-C6O2(N3H2)2]2+ and A1–8 = [CH3CO2], [CF3CO2], [N(CN)2], [CF3SO3], [ClO4], [BF4], [NTf2] and [PF6]) were theoretically investigated.
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In silico investigation of the interaction between α-synuclein aggregates and organic supramolecular assemblies

Mol. Syst. Des. Eng., 2024, 9,1155-1166
DOI: 10.1039/D4ME00071D, Paper
Laura Le Bras, Yves L. Dory, Benoît Champagne
An α-synuclein aggregate with the PreNAC and NACore areas, responsible for the aggregation, highlighted.
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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.
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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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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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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) !
Ouvrage tout-en-un
Nouveau
978-2-311-21591-5
Diplôme d'État de Conseiller en économie sociale familiale
Disponible
Livre




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Interruption volontaire de grossesse médicamenteuse

24,00 €

Philippe Faucher, Danielle Hassoun
4e édition
octobre 2024
160 pages
Un guide simple et concis pour bien prescrire l'IVG médicamenteuse
Livre
Nouveau
978-2-311-66541-3
Toutes les informations utiles - La prise en charge - La législation à jour
Disponible
Livre




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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 !
Livre
Nouveau
978-2-311-66545-1
Méthode pas à pas, exercices pratiques et fiches outils
Disponible
Livre




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Import of true renunciation




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Adoration for Siva




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Religious symbols




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Revelation of Cosmic form




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No conditions




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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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Prerequisites for liberation




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Prerequisites for liberation




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Divine incarnations




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Mystery of creation




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Not in isolation




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Seeking Acharya’s help to attain liberation




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Food-mind connection




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Exogenous analogues of substance P trigger pseudo-allergic reactions through activation of MRGPRX2

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ04581A, Paper
Yi Shan, Jiayu Lu, Na Li, Xiaoxue Mo, Cheng Wang, Huaizhen He
This article reports that exogenous analogues of the neuropeptide substance P can activate MRGPRX2 to trigger pseudo-allergic reactions.
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Synergistic effects of vanadium incorporation in cobalt-based LDH on electron and proton transfer during electrocatalytic benzyl alcohol oxidation

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00728J, Paper
Jingjing Bai, Liang Chen, Chenghang Lv, Hongyu Ruo, Yanlong Pan, Shoudong Xu, Jiaqi Chen, Bingchuan Yang, Ding Zhang, Huimin Yang
Electricity-driven water splitting is a promising approach for cost-effective and environment-friendly hydrogen production.
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Catalytic Ethynylation of Formaldehyde for Selective Propargyl Alcohol Production Using the Copper Metal Organic Framework HKUST-1

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D3NJ06001B, Paper
Wanxi Yang, Wencai Peng, Han Li, Jin Mao, Liqiang Qian, Qingyu Zhang
HKUST-1 with high crystallinity has been successfully synthesized by solvothermal method using Cu(NO3)2·3H2O as a copper source, 1,3,5-benzenetricarboxylic acid as organic ligand, and N,N-dimethylformamide as solvent. HKUST-1 exhibited a typical...
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Solvent and Stoichiometry-dependent Versatile Organogelation and Robust Crystallization from Supramolecular Association of Adipic Acid and Triethanolamine

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00559G, Paper
Gerald Lepcha, Indrajit Pal, Santanu Majumdar, Yogesh Dhasmana, Sanjay Mondal, Ennio Zangrando, Deepak Chopra, Biswajit Dey
Supramolecular self-assembly directed two unique organogels were achieved through varying gel-immobilized solvents. One gel is comprised of adipic acid (ADP) and triethanolamine (TEA) in pure dimethylformamide medium (i.e., ADP-TEA-DMF), while...
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