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Sponsoring dependencies: The next step in open source sustainability

When the JavaScript Standard Style (StandardJS) project1 decided to show ads during installation, the backlash was swift and harsh. The project is an opinionated JavaScript style guide, formatter, and linter all in one, and it was also the first npm project to try and raise money by inserting an ad in the command line.2 The...




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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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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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Jnana dispels ignorance




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Faith is indispensible




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Experiencing His grace




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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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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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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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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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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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Exploring the impact of a cetyltrimethylammonium bromide surfactant on the electrochemical performance of tungsten oxide thin films

New J. Chem., 2024, Advance Article
DOI: 10.1039/D3NJ05635J, Paper
Munazza Razzaq, Muhammad Saifullah, Ramzan Akhtar, Muhammad Jawad Khan, Zahid Imran, Muhammad Rehan, Ahsan Jamal, Sajid Iqbal, Mohsin Ali Raza Anjum, Sheeraz Mehboob
A WO3 thin film prepared with a CTAB/Na2WO4·2H2O molar ratio of 2.451 exhibits considerably improved current density, charge storage capacity, and diffusion kinetics.
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Peptide-linked perylenebisimide and ferrocene dicarboxylic acid conjugates with tunable optoelectronic properties

New J. Chem., 2024, 48,7225-7234
DOI: 10.1039/D3NJ05809C, Paper
Biswanath Hansda, Soumyajit Hazra, Niladri Hazra, Purnadas Ghosh, Arindam Banerjee
Peptide linked perylenebisimide and ferrocene dicarboxylic acid conjugates display wonderful and tunable optoelectronic properties.
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High-performance QLED research based on direct photo-crosslinking of PEDOT:PSS

New J. Chem., 2024, 48,7379-7383
DOI: 10.1039/D4NJ00457D, Paper
Kai Zhang, Junpeng Fan, Changfeng Han, Rui Xu, Lintao Nie, Yuhan Sun, Lei Qian, Chaoyu Xiang, Ting Zhang
By comparing the particle size of PH1000 and 4083, the problem of the HIL layer of QLED optical crosslinking was explained, and high performance QLEDs were prepared.
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Photothermal properties of MXenes and sterilization of MRSA by Nb2C/Gel with a low power NIR-II laser

New J. Chem., 2024, 48,7045-7051
DOI: 10.1039/D4NJ00245H, Paper
Yekai Zheng, Xinyi Fu, Li Jiang, Denghao Li, Weidan Zhao, Mi Liu, Jiali Liu, Shangzhong Jin, Yan Zhou
A comparative study on the photothermal properties of MXenes (Ti3C2, V2C and Nb2C) and MXene/Gels (Ti3C2/Gel, V2C/Gel and Nb2C/Gel). The fast and efficient sterilization of MRSA was achieved using Nb2C/Gel at low laser power.
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Impact of Cr doping on the structural and optoelectronic properties of a CsPbIBr2 perovskite solar cell

New J. Chem., 2024, 48,7205-7212
DOI: 10.1039/D4NJ00681J, Paper
M. I. Khan, Ali Mujtaba, Saddam Hussain, Asif Hussain, Dalil Bulayis N AlResheedi, Zainab Mufarreh Elqahtani, El Sayed Yousef, Norah Alwadai
The Cr–CsPbIBr2 device showed enhanced performance, with increased grain size, reduced energy band gap, and elevated efficiency from 9.64% to 12.06%.
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Efficient elimination of Hg(II) from water bodies with acid-modified magnetic biomass spent tea leaves: conditional optimization and application

New J. Chem., 2024, 48,7413-7429
DOI: 10.1039/D4NJ00576G, Paper
Dingli Cheng, Yiwen Li, Xinyu Zheng, Yongfu Guo
To effectively enhance the resource utilization of biomass waste, a acid-modified magnetic biomass spent tea leaves (NiFe2O4/STLs) was prepared via the pyrolysis and co-precipitation methods and used to eliminate mercury (Hg(II)) from water bodies.
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Adsorption behavior of chloramphenicol on an activated carbon from pomelo peel using KHCO3 activator

New J. Chem., 2024, 48,7081-7091
DOI: 10.1039/D3NJ05838G, Paper
Haixia Li, Hai Zhu, Junqiang Qiu, Danning Zheng, Lifang Gao, Dan Zhou, Dan Xu
The pomelo peel-based activated carbon as a high-performance adsorbent for chloramphenicol is synthesized by KHCO3 activator through a solid pyrolysis method.
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Self-assembled superstructures derived from suitably substituted phenanthro[9,10-d] imidazole-based Zn(II)/Cd(II) complexes for selective detection of acetone

New J. Chem., 2024, 48,7456-7468
DOI: 10.1039/D4NJ00450G, Paper
Mallayasamy Siva, Sheethal Sasi, Priya Rana, Raj Kumar Bera, Yuvaraj Sivalingam, Priyadip Das
Newly synthesized (L1)2M, (L2)2M, and (L3)2M (M = Zn(II)/Cd(II)) self-assembled into well-ordered superstructures and exhibited promising potential for developing a new class of sensor devices for human health monitoring and environmental safety measurements.
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Adsorption isotherms of enantiomers on a chiral open-framework copper borophosphate LiCu2[BP2O8(OH)2]

New J. Chem., 2024, 48,7189-7196
DOI: 10.1039/D4NJ00314D, Paper
Zhanna D. Uteeva, Raul U. Sadykov, Diana O. Bagdanova, Marat R. Agliullin, Vladimir Yu. Guskov
The chiral recognition during adsorption in pores with only supramolecular (not molecular) chirality was shown for the first time on zeotype material copper borophosphate LiCu2[BP2O8(OH)2].
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Preparation of hydrogels with self-reinforced mechanical properties using ball-milled microcrystalline cellulose and regenerated cellulose from deep eutectic solvent

New J. Chem., 2024, 48,7405-7412
DOI: 10.1039/D4NJ00622D, Paper
Yi Zhang, Yingming Zhu, Kejing Wu, Yingying Liu, Houfang Lu, Bin Liang
Choline chloride–lactic acid deep eutectic solvent assisted by ball milling effectively dissolved microcrystalline cellulose. Regenerated cellulose was used to prepare novel cellulose hydrogel with self-reinforced mechanical properties.
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Ambient temperature-prepared BiOBr-supported zero-pretreatment coal gasification fine slag for organic pollutant removal

New J. Chem., 2024, 48,7256-7264
DOI: 10.1039/D3NJ05906E, Paper
Hele Hua, Jing Yang, Rui Li, Yunfang Wang, Caimei Fan, Jianxin Liu, Yawen Wang
The BiOBr/CGFS photocatalysts were synthesized at ambient temperature by a simple hydrolysis method with zero pre-treatment of CGFS. CGFS led to the improvement of the quantum efficiency of BiOBr and further promoted the photocatalytic performance.
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Novel composite of ZnMoO4/Ni(OH)2 as an electrode material for enhanced performance in energy-storage applications

New J. Chem., 2024, 48,7362-7369
DOI: 10.1039/D4NJ00513A, Paper
Barani Kumar Duvaragan, Ganesan Shanmugam, Arif Mohamed Shahul Hameed, Vetrivel Ramalingam
The as-prepared composite of micro-flower structure of ZnMoO4 with Ni(OH)2 nano-flower were employed as electrode materials for supercapacitors.
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Synthesis of copper(II) complex-functionalized Fe3O4@ISNA (ISNA = isonicotinic acid) as a magnetically recoverable nanomaterial: catalytic studies in alcohol oxidation and nitrophenol reduction, and TD-DFT studies

New J. Chem., 2024, 48,7308-7322
DOI: 10.1039/D3NJ05440C, Paper
Rimpa Mondal, Aratrika Chakraborty, Ennio Zangrando, Madhulata Shukla, Tanmay Chattopadhyay
The synthesis of a magnetically separable nanocatalyst Fe3O4@ISNA@CuL1 used as a catalyst for oxidation of alcohols and reduction of nitrophenols.
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Highly crystalline graphite nanofibers as an anode for high-performance potassium-ion batteries

New J. Chem., 2024, 48,7497-7502
DOI: 10.1039/D4NJ00662C, Paper
Kaixuan Sun, Kun Chang, Jinshuo Tan, Chuan-Fu Sun, Qin Liu
Graphite nanofibres with high crystallinity and low defect levels for potassium-ion batteries with high initial Coulombic efficiency and long cycling stability are reported in this study.
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In situ fabrication of a robust P–N heterojunction based on Mn–Zn–S–ethylenediamine hybrid nanorods for boosting photocatalytic performance

New J. Chem., 2024, 48,7287-7299
DOI: 10.1039/D3NJ05879D, Paper
Zhi-Yu Liang, Wang-Jun Huang, Er-Da Zhan, Peng Yang, Ren-Kun Huang, Ying Wang, Gui-Yang Yan
Multifarious novel photocatalysts based on hybrid nanocomposites have been developed to boost photocatalytic efficiency.
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Design and synthesis of few-layer molybdenum oxide selenide encapsulated in a 3D interconnected nitrogen-doped carbon anode toward high-performance sodium storage

New J. Chem., 2024, 48,7370-7378
DOI: 10.1039/D4NJ00389F, Paper
Yonghong Qin, Shahriman Zainal Abidin, Azhari Bin Md Hashim, Oskar Hasdinor Hassan, Xiaojun Zhao
Novel few-layered MoO3–MoSe2 encapsulated in a 3D NC skeleton is constructed to improve the electrochemical performances of SIBs.
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Depolymerization mechanism of MgO on a silicate microstructure under different CaO contents: a theoretical and experimental study

New J. Chem., 2024, 48,7480-7488
DOI: 10.1039/D4NJ00454J, Paper
Maierhaba Abudoureheman, Lanzhen He, Fangru Ma, Bo Wei, Jianjiang Wang, Quan Zhu, Hong Yao
The mechanism of the effect of MgO on the microstructure depolymerization of Zhundong coal ash under the condition of different CaO contents was studied using molecular dynamics simulation and experimental methods.
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Investigating drug abuse in hair samples using the electrospun PEDOT–CNT nanostructure along with EA-IT-SPME

New J. Chem., 2024, 48,7277-7286
DOI: 10.1039/D4NJ00023D, Paper
Negar Sabahi Moosavi, Yadollah Yamini, Payam Osooli
Electrospinning, a simple and low-cost method, is one of the best ways to produce nanoscale porous adsorbents.
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Tannic acid induced in situ growth of an underwater superoleophobic ZIF-8 composite membrane for emulsion separation

New J. Chem., 2024, 48,7384-7393
DOI: 10.1039/D4NJ00623B, Paper
Wanyu Lu, Qijin Tang, Huajing Cheng, Shudi Li, Cailong Zhou, Hao Yang
Tannic acid induced in situ growth of ZIF-8 crystals on a nylon membrane, creating a multifunctional composite membrane that exhibits remarkable underwater superhydrophobicity and resistance to oil adhesion.
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Copper(II) complexes of sterically hindered phenolic Schiff bases: synthesis, characterization, interaction with biomolecules, and antioxidant and antimicrobial activity

New J. Chem., 2024, 48,7134-7147
DOI: 10.1039/D4NJ00430B, Paper
Iveta S. Turomsha, Maxim Y. Gvozdev, Nikolai P. Osipovich, Viktoryia A. Staravoitava, Dmitriy I. Shiman, Natalia V. Loginova
Phenolic Schiff bases and their Cu(II) complexes have been synthesized and characterized by physicochemical methods. The complexes exhibit low cell toxicity and high antioxidant and antibacterial activity, as evidenced by molecular docking studies.
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Performance analysis and structure characterization of polylactic acid modified with three flame retardants

New J. Chem., 2024, 48,7469-7479
DOI: 10.1039/D3NJ05967G, Paper
Zhu Yuqin, Wang Di, Guo Zhongliang, Wen Huiying
Three flame retardant composites were prepared by incorporating flame retardants (FRs), including triphenyl phosphate (TPP), polysiloxane (PSQ) and phosphite functionalized polysiloxane (PPSQ), respectively into a polylactic acid (s/PLLA) matrix.
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Persulfate promoted regioselective C-1 thiocyanation of imidazo[1,5-a]pyridines under visible light irradiation in water

New J. Chem., 2024, 48,7041-7044
DOI: 10.1039/D4NJ00327F, Communication
Pallavi Saha, Samarpita Das, Harish K. Indurthi, Rohit Kumar, Deepak K Sharma
A visible light-mediated, photocatalyst-free, persulfate-promoted approach has been explored for regioselective C-1 thiocyanation of imidazo[1,5-a]pyridines.
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Unraveling the inhibitory potential of Rosetta designed de novo cyclic peptides on PARP7 through molecular dynamics simulations

New J. Chem., 2024, 48,7347-7355
DOI: 10.1039/D4NJ00016A, Paper
Yuqi Zhu, Aamir Mehmood, Daixi Li
Cyclic peptides have the characteristics of antibodies and small molecules and have better advantages over small molecules.
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Evaluation of the antiepileptic activity of hesperidin by fluorescence imaging

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00801D, Paper
Yan Yin, Wenhui Song, Yinhu Ai, Weiying Lin
Evaluation of the antiepileptic activity of hesperidin via near-infrared fluorescence imaging based on viscosity.
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Theoretical investigation of the effect of radical substituents on the open-shell character of polycyclic aromatic hydrocarbons

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00555D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Tomohito Shinozuka, Daiki Shimizu, Kenji Matsuda
Radical substituents was found to significantly alter the open-shell character y of PAHs compared to non-radical substituents.
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Evaluation of adsorption and degradation performance of lanthanum modified mesoporous carbon nitride composite materials for tetracycline wastewater

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00864B, Paper
Zhiqiang Wu, Yueyi Li, Pengxi Jiang, Sisi Ma, Wenfei Dong, Hongjian Zhao, Enke Feng, Xuming Wang
The lanthanum modified mesoporous graphite nitride carbon composites (La-g-C3N4) were synthesized using a thermal shrinkage polymerization method. The samples underwent characterization through the X-ray diffraction (XRD), the fourier transform infrared...
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A robust dual-network hydrogel electrolyte coupled with a porous carbon material for flexible quasi-solid-state zinc ion hybrid supercapacitors

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00310A, Paper
Chenchen Ji, Xinhong Lin, Yang Hong, Junfeng Liu, Aoteng Liu, Yijia Yao, Sicheng Liu, Hongyu Mi
A hydrogel electrolyte was designed by constructing a multi-crosslinked network. The quasi-solid-state ZHSC based on the hydrogel electrolyte and HSSPC delivers a high specific capacity, high energy/power densities, and good cycle stability.
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Catalytic oxidative desulfurization performance of a modified nano-sized β zeolite loaded with different structural polyoxometalates

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ00214H, Paper
Jinhong Li, Haonan Li, Zhimei Song, Ying Guo, Mengxiao Tai, Mei Han, Xinyao Wang, Lidong Chen, Dongmei Ren
HPW/β-T+S has the best desulfurization activity among the composite catalysts supported by polyoxometalates with different structures.
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Synthesis and characterization of magnetite coated by maltodextrin for application in magnetic hyperthermia

New J. Chem., 2024, Advance Article
DOI: 10.1039/D4NJ01034E, Paper
Yasmin Milena Loth Bueno, Filipe Kalil da Silva Naves, Tamires Pereira Rosa, Odivaldo Cambraia Alves, Marcel Guimarães Martins, Marla Karolyne dos Santos Horta, Giane Gonçalves Lenzi, Celio Lucas Valente Rodrigues, Jéssica Dornelas da Silva, Rodrigo Brackmann
This study aimed to synthesize magnetite nanoparticles proposing a new core with maltodextrin using the coprecipitation method in an alkaline medium, with the potential application in magnetic hyperthermia for cancer treatment.
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Effect of Functionalized Multiwalled Carbon Nanotubes on Mechanical, Swelling and Viscoelastic Properties on Gum ghatti-cl-poly(NIPAm) Hydrogels

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ01677G, Paper
Pragnesh N Dave, Pradip Macwan
The present work involves the Gum ghatti-cl-poly(NIPAm)/-o-MWCNT (GGNIPACNT) hydrogels via free radical polymerization technique. The synthesized hydrogels were characterized by FTIR analysis which suggested the successful binding of -o-MWCNT in...
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Sulfonic groups modified carbon nanotubes: the decorative strategy for enhancing the performance of lithium-sulfur batteries

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00927D, Communication
Chensong Yang, Yakun Tang, Yue Zhang, Xingyan Zeng, Mengyao Dai, Lang Liu
Porous carbon nanotubes can not only provide a large surface area for anchoring sulfur and restraining polysulfides, but also provide continuous conductive networks to facilitate ion transport in lithium-sulfur batteries...
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