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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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The Gods must be pleased

How the Gujarathi Vaishnava community bond together over food they prepare for the annual Annakoot festival




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Served hot, a Donald Trump dosa

With this special dish, a city hotel pays tribute to the U.S. President-elect




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Salt baked fish at its heart

The Drawing Room charms with fancy seafood set to Bohemian décor




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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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Pesticide residues above limits detected in curry powders sold in Kerala

Eight samples had no manufacturer details, while the rest were from leading brands




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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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Six millet-based recipes to try this Pongal

This pongal, help yourself to healthy servings of Foxtail Poli and Little Millet pepper pongal While Pongal meals have traditionally been a rice-dominant affair, give Foxtail Poli and Little Millet pepper pongal a try




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Tried a flavoured ragi tea?

Jaypore-based Jagannath Chinary introduces us to tea with a twist in his hometown Jeypore in Odisha



  • Life & Style

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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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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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Wireframe DNA origami nanostructure with the controlled opening of edges

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00144C, Paper
Maryam Mogheiseh, Reza Hasanzadeh Ghasemi
Design and simulation of wireframe DNA origami nanostructures with fast and controlled opening capability using modified DAEDALUS code.
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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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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.
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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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Elucidating the interplay between entropy-driven and patch-mediated bonding in directing nanoscale assemblies

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00153B, Paper
Kireeti Akkunuri, Xiangyu Zhang, Thi Vo
The interplay between directional patchy attraction and shape-driven entropic forces sculpts the spatial and orientational orderings between anisotropic building blocks, giving rise to symmetry breaking of pre-programmed interactions between particles.
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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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Unalloyed bhakti




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Blessed and fortunate




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Esoteric knowledge




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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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Seeds of good conduct




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Varadaraja praised




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Knowledge of immortal atma




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Maya explained




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Focused worship




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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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Revealing the Influencing Mechanism of CO2 on SCR of NOx with NH3 over FeW Mixed Oxides Catalyst

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ01468E, Paper
Hui Wang, Yujie Qiao, Xiang Li, Zhenping Qu
The effect of CO2, another major component of the exhaust gas, on the elimination of NOx over FeW oxides catalyst has been studied. It reveals that the presence of CO2...
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Functionalized Schiff-base containing phenothiazine and cholic acid as a paper-based fluorescence turn-off sensor for Sn(II) ion detection and its application

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00853G, Paper
Dipakkumar Bariya, Satyendra Mishra
The development of the cholyl hydrazide Schiff base of phenothiazine as a paper-based sensor for the detection of Sn(II) ions with chelation-enhanced fluorescence quenching sensing mechanism and its possible integration into a logic gate system.
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Ultrafine VN quantum dots modified with a nitrogen-doped reduced graphene oxide anode material for enhanced rate capability and lifespan of lithium-ion batteries

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00502C, Paper
Dong Wang, Zihan Guo, Zhiwei Wang, Yanfang Gao
The excellent electrochemistry performance is attributed to vanadium nitride quantum dots (VNQDs) offering large capacity and nitrogen-doped reduced graphene oxide (NrGO) acting as a conductive network and buffer skeleton.
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Circularly polarized Room-Temperature Phosphorescence enhanced by Dynamic Cross-linked Networks fixation

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00510D, Paper
Bochun Wang, Yuzhan Li, ChangLi Zhang, Sirong Sun, Wanli He, Dong Wang, Hui Cao, Zhou Yang
Organic ultra-long room temperature phosphorescence (OURTP) has been widely used in applications including encryption and anti-counterfeiting. However, few research has focused on circularly polarised luminescence (CPL) with RTP materials. In...
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Effects of Mixed Phases on Ionic Conductivities for (LaF3)1–x(PbF2)x Fast-Fluoride-Ion-Conducting Solid Electrolytes

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ01063A, Paper
Ming Zhang, Yaowei Hao, Qiaojun Nie, Xiaocao Cao, Jiafan Zheng, Kai Zhang, Jun Zheng, Haodong Wang, Yafang Zhao, Jiayi Liu, Zhiguang Lin, Zhongrong Shen
The research on all-solid-state fluoride-ion batteries (FIBs) with a high theoretical energy density has attracted considerable attention due to their enhanced safety features and superior capacity. The selection of solid...
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Ni–Co alloys via controlled pyrolysis of NiCo–MOF as heterogeneous hydrogenation catalysts

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00664J, Paper
Lidan Deng, Xingwang Liu, Chong Chen, Lu Wang, Fan Liu, Jie Zhang
The pyrolysis in H2 at lower temperatures can obtain MNP/MOF with more complete MOFs structure and dispersed Ni–Co alloy nanoparticles, which display significantly better activity for the hydrogenation of toluene to methylcyclohexane.
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Temperature-dependent structural and optical properties of Sb-doped SnO2 nanoparticles and their electrochemical analysis for supercapacitor application

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00918E, Paper
Towseef Ahmad, Mohd Zubair Ansari
Transparent conducting oxides (TCOs) play an important role in advanced energy harvesting and storage systems, as well as cutting-edge display technology.
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Ligand-assisted solvothermal precipitation synthesis of quantum-sized SnO2 nanoparticles and their application in quantum dot light emitting diodes

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00811A, Paper
Jiaxin Gao, Mengxin Liu, Xinan Shi, Daocheng Pan
Quantum dot-light emitting diodes with an external quantum efficiency of 12.9% are fabricated based on quantum sized SnO2 nanoparticles as electron transportation layers.
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Metal–organic frameworks constructed using acid–base mixed ligands, carboxylic acids and N-containing chalcone, and their catalytic performance for Knoevenagel condensation

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ05164A, Paper
Limin Cheng, Junyong Zhang, Caihong Zhan, Hao Xu, Chunhua Gong, Jingli Xie
MOF materials constructed using acid–base mixed ligands serve as efficient and economical porous heterogeneous catalysts for Knoevenagel condensation.
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Structural optimization of icaritin for advanced cancer: novel carbamates via oral administration

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ05723B, Paper
Fengxiao Li, Weiping Wang, Jiaqi Fan, Yixiu Zhai, Jiaming Zhang, Tianhong Zhang, Qikun Jiang
Carbamates of icaritin (3N-Me and 3N-Et) are synthesized first to overcome the challenge of the phase II metabolism of ICT. 3N-Me has potential as a novel advanced cancer treatment agent via oral administration in the future.
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Boric acid-grafted biochar (BoAB) for the direct amidation of carboxylic acids and amines

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00745J, Paper
Adhish Singh, Mohit Kapoor
Boric acid grafted biochar was developed and explored for its potential in the amidation of unactivated carboxylic acids and amines under mild conditions.
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A boron nitride–carbon composite derived from ammonia borane and ZIF-8 with promises for the adsorption of carbon dioxide

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00643G, Paper
Open Access
Carlos A. Castilla-Martinez, Christophe Charmette, Jim Cartier, Umit B. Demirci
In the present study, we report the synthesis, characterization and assessment of the carbon dioxide adsorption capacity of a composite made of boron nitride and carbon.
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A heat-resistant explosive featuring an N,N'-ethylene bridged 1,2,4-1H-triazole fused ring

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00898G, Communication
Shaoqing Wang, Congcong Li, Shaojia Li, Hongquan Yin, Qing Ma, Fu-Xue Chen
A high thermal stability explosive with a fused-ring structure was formed by N,N'-ethylene bridging, exhibiting decomposition temperatures comparable to traditional HNS.
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A novel Eu3+ activated Ca3Zn3Te2O12 tellurate red phosphor for white LEDs with high color stability and color purity

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ01281J, Paper
Feiyan Xie, Junqiang Gu, Dekang Xu, Qiancheng Xiong, Jinyu Yang, Xiangjian Ou, Dawei Wen
Research into red phosphors with a high color rendering index is particularly compelling, given the absence of a red component in the spectrum of commercial phosphor-converted white light-emitting diodes, which...
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18 kDa TSPO specific ligand based polymeric nanoformulation: Synthesis, computational and biological studies

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00463A, Paper
Priya Singh, Vijay K. Singh, Dipti Kakkar, Anjani Kumar Tiwari
The 18 kDa Translocator protein (TSPO) serves as a promising target for drug delivery and imaging applications. In this investigation, we have encapsulated MCBP, a TSPO compound based on acetamidobenzoxazolone,...
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Effect of ammonia addition on dispersion and activity of supported copper species on porous silica-alumina hollow spheres for catalytic decomposition of nitrous oxide

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00808A, Paper
Tetsuo Umegaki, Takeru Nakamura, Yoshiyuki Kojima
This work investigated influence of ammonia addition in the immersion process of active species on dispersion and activity of copper supported porous hollow silica-alumina spheres catalysts for decomposition of nitrous...
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Metal–organic framework-derived mesoporous Co3O4 with high specific surface area for enhanced xylene sensing

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ01096E, Paper
Liwen Wang, Guanghui Zhang, Ruishu Zhang, Siqi Yang, Wenjuan Huang, Xiangbai Chen
Co3O4 hollow polyhedra have a high specific surface area and mesoporous structure. The Co3O4 gas sensor has excellent sensing performance and selectivity for xylene.
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