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Outstanding Reviewers for Molecular Systems Design & Engineering in 2019

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Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME90015J, Editorial

We would like to take this opportunity to highlight the Outstanding Reviewers for Molecular Systems Design & Engineering in 2019, as selected by the editorial team for their significant contribution to the journal.
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Thermoelectric thiophene dendrimers with large Seebeck coefficients

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Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME00017E, Paper
Kota Oki, Shohei Horike, Mana Yamaguchi, Chikayo Takechi, Yasuko Koshiba, Tatsuya Fukushima, Atsunori Mori, Kenji Ishida
π-Conjugated dendrimers are emerging platforms for molecular-based photonics and electronics.
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Competitive hydrogen bonding in supramolecular polymerizations of tribenzylbenzene-1,3,5-tricarboxamides

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Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME00030B, Paper
Mathijs F. J. Mabesoone, Sinan Kardas, Héctor Soria-Carrera, Joaquín Barberá, Jesús M. de la Fuente, Anja R. A. Palmans, Mathieu Fossépré, Mathieu Surin, Rafael Martín-Rapún
By combining experiments and molecular modelling we elucidate the role of competitive hydrogen bonding on the supramolecular behavior of tris(alkoxybenzyl)benzene-1,3,5-tricarboxamides.
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Connecting molecular mechanisms of biofilm formation and functional biomaterials

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Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME00001A, Perspective
Samuel B. Lum, Robert Osgood
Biofilms are arguably the root cause of most human infections, imposing a high level of public health concern. Exploring the molecular pathogenesis on material interfaces is essential to improving future medical devices.
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Mining structure–property relationships in polymer nanocomposites using data driven finite element analysis and multi-task convolutional neural networks

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Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME00020E, Paper
Yixing Wang, Min Zhang, Anqi Lin, Akshay Iyer, Aditya Shanker Prasad, Xiaolin Li, Yichi Zhang, Linda S. Schadler, Wei Chen, L. Catherine Brinson
In this paper, a data driven and deep learning approach for modeling structure–property relationship of polymer nanocomposites is demonstrated. This method is applicable to understand other material mechanisms and guide the design of material with targeted performance.
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Effect of substituents in sulfoxides on the enhancement of thermoelectric properties of PEDOT:PSS: experimental and modelling evidences

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Mol. Syst. Des. Eng., 2020, Accepted Manuscript
DOI: 10.1039/D0ME00032A, Paper
Zhu Qiang, Erol Yildirim, Xi Zu Wang, Ko Ko Kyaw Aung, Tao Tang, Debbie Soo, Zicong Marvin Wong, Gang Wu, Shuo-Wang Yang, Jianwei Xu
Poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), being the most popular conductive polymer, has been doped with various additives with the aim to improve its thermoelectric performance. Among all additives, dimethyl sulfoxide (DMSO) has been...
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Introduction to molecular engineering for water technologies

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Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME90016H, Editorial
Seth B. Darling, Hao-Cheng Yang
Guest Editors Seth Darling and Hao-Cheng Yang introduce the Molecular Systems Design & Engineering themed collection on molecular engineering for water technologies.
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Charge-Density Induced Discrimination of Halides with a Rigid Dinuclear Copper(II) Complex

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Mol. Syst. Des. Eng., 2020, Accepted Manuscript
DOI: 10.1039/D0ME00025F, Paper
Md Mhahabubur Rhaman, Mohammad H. Hasan, Zulfikhar Ali, Douglas Powell, Ritesh Tandon, Bryan M. Wong, Alamgir Hossain
A rigid dinuclear copper(II) complex L based on furan spacers has been synthesized and studied for its binding interactions with halides by colorimetric studies, UV-Vis titrations, and density functional theory...
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A gold–carbon dots nanoprobe for dual mode detection of ketamine HCl in soda drinks

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New J. Chem., 2020, 44,7058-7064
DOI: 10.1039/D0NJ00614A, Paper
Mahmoud A. Tantawy, Mohamed A. Farag, Ali M. Yehia
Fluorescent and color sensors for ketamine HCl determination. A dual-mode nanoprobe for the detection of a club drug in spiked beverage.
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Experimental and theoretical investigation on MoS2/MXene heterostructure as an efficient electrocatalyst for hydrogen evolution in both acidic and alkaline media

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00956C, Paper
Le Hu, Yuyun Sun, Shi-Jing Gong, Hui Zong, Ke Yu, Ziqiang Zhu
A composite of MoS2/Nb2CTx with MoS2 nanoflowers grown between Nb2CTx flakes for electrolysis of water in acidic and alkaline solutions.
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Effects of oxidation treatment by KClO3/H2SO4 systems on the chemical, crystal and microscopic structures of polyacrylonitrile fibers

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00442A, Paper
Cheng Zhang, Shijie Xiao, Zhigang Shen, Runping Li, Jianhua Liu, Shenghui Guo, Lei Xu
Oxidation treatment of PAN fibers (PFs) in a KClO3/H2SO4 system as a new pretreatment method for carbon fiber oxidation stabilization.
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Development and Functionalization of Magnetic Nanoparticles as Stable and Reusable Catalyst for Triacetin Synthesis

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00488J, Paper
Abida Khan, Bhupendra Chudasama, Amjad Ali
The application of magnetic nanoparticles as an adsorbent and catalyst support in solving the environmental issues has recently received great attention due to their unique physical and chemical properties, such...
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Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01830A, Paper
Wen-Min Wang, Xin-Yan Hu, Yang Yang, Jia-Qi Zhao, Yaxin Zhang, Xiao-Min Kang, Zhilei Wu
Four linear tetranuclear dysprosium compounds, [Dy4(L)2(dbm)6(ROH)2]·x(ROH) (ROH = MeOH, x = 3 (1); ROH = EtOH, x = 3 (2); ROH = n-PrOH, x = 1 (3); ROH = n-BuOH,...
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Interaction Determined Sensitization Photodegradation of Dye Complexes by Boron Nitride under Visible Light Irradiation: Experimental and Theoretical Studies

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01387K, Paper
Xin Ji, Yong Guo, Shugui Hua, Huiyan Li, Sunchen Zhang
In this paper, the sensitization photodegradation of single and mixed dyes by wide band gap boron nitride (BN, 3.94 eV) under visible light irradiation has been first time investigated. The...
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A first-principles study of the substitutional doping of MgCl2 monolayer for spintronics applications

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01264E, Paper
Igo Torres Lima, Railson Vasconcelos, Ricardo Gargano, Edson Nunes Costa Paura
Based on first-principles calculations, we studied the functionalization of MgCl2 monolayer with nonmetal (NM) and transition-metal (TM) atoms. Our results indicate that energetically it is more favorable to create a...
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Synergic effect of pore size engineering and an applied electric field on the controlled permeation of alkali metal atoms and ions across pristine and defect-containing h-BN sheets

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New J. Chem., 2020, Advance Article
DOI: 10.1039/C9NJ03962G, Paper
Sajida Munsif, Naveen Kosar, Muhammad Ali Hashmi, Tariq Mahmood, Mazhar Amjad Gilani, Khurshid Ayub
Electric field facilitates the diffusion of Na and Li+.
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Ultrasonic Promoted Synthesis of Ag Nanoparticles Decorated Thiourea–Functionalized Magnetic Hydroxyapatite: A Robust Inorganic–Organic Hybrid Nanocatalyst for Oxidation and Reduction Reactions

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00829J, Paper
Saeed Bahadorikhalili, Hosein Arshadi, Zahra Afrouzandeh, Leila Ma'mani
In this research, ultrasonic synthesis is applied for the fabrication of a novel catalyst, based on immobilization of silver nanoparticles (AgNPs) on thiourea functionalized magnetic hydroxyapatite. Recoverable Ag nano–catalyst is...
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An expedient synthesis of new imino-thiazolidinone grafted dispiro-pyrrolidine-oxindole/indeno hybrids via a multicomponent [3+2] cycloaddition reaction in a deep eutectic solvent

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00801J, Paper
Ruby Singh, Munna Ram Saini, Diksha Bhardwaj, Aakash Singh
A facile and selective synthesis of novel factionalized dispiro-pyrrolidines via a three component [3+2] cycloaddition reaction using a deep eutectic solvent.
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Exploring catecholase activity in dinuclear Mn(II) and Cu(II) complexes: an experimental and theoretical approach

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00605J, Paper
M. Shahwaz Ahmad, Mohd Khalid, M. Shahnawaz Khan, M. Shahid, Musheer Ahmad, Monika, Azaj Ansari, Mo Ashafaq
Two dinuclear Mn(II) and Cu(II) complexes were prepared, characterised and assessed for non-covalent interactions and catecholase oxidase properties. The catecholase activity of 2 is further corroborated by theoretical calculations using DFT.
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A “turn-on” fluorescent and colorimetric chemodosimeter for selective detection of Au3+ ions in solution and in live cells via Au3+-induced hydrolysis of a rhodamine-derived Schiff base

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01273D, Paper
Sanchita Mondal, Saikat Kumar Manna, Sudipta Pathak, Aritri Ghosh, Pallab Datta, Debasish Mandal, Subrata Mukhopadhyay
A chromogenic and “off–on” fluorogenic chemodosimeter (L) based on a naphthalene–rhodamine B derivative was designed, synthesized and characterized for the selective and sensitive detection of Au3+ ions in mixed acetonitrile aqueous media.
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Production of furfural from xylose catalyzed by a novel calcium gluconate derived carbon solid acid in 1,4-dioxane

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00619J, Paper
Tao Yang, Wenzhi Li, Mingxue Su, Yang Liu, Minghou Liu
A novel carbon-based solid acid catalyst (SC-GCa-800) was prepared by the high-temperature carbonization of calcium gluconate followed by sulfonation with 4-diazoniobenzenesulfonate at room temperature.
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Physicochemical properties of a urea/zinc chloride eutectic mixture and its improved effect on the fast and high yield synthesis of indeno[2,1-c]quinolines

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01342K, Paper
Diana Peña-Solórzano, Vladimir V. Kouznetsov, Cristian Ochoa-Puentes
An environmentally friendly and efficient method for the synthesis of indeno[2,1-c]quinolines is developed using a urea/zinc chloride eutectic mixture as a green mildly acidic medium.
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Pyrenoimidazole fused phenanthridine derivatives with intense red excimer fluorescence in solid-state

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01223H, Paper
Joseph Ajantha, Shanmugam Karthik, Thirumanavelan Gandhi, Easwaramoorthi Shanmugam
A new series of polycyclic aromatic hydrocarbon (PAH), pyrenoimidazole (PyFPs) having different substituents were developed as fluorescence emitters for optoelectronic applications. The compounds were synthesized by means of transition metal-free,...
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Photo-degradation of Porphyrin bounded hIAPP (1-37) Fibrils

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/C9NJ06082K, Paper
Yongxiu Song, Ping Li, Zhimin Zhang, Yin Wang, Zhefei Zhang, Lei Liu, Mingdong Dong
Amyloid deposits in pancreatic islets of type 2 diabetes mellitus (T2DM) is mainly comprised of human islet amyloid polypeptide (hIAPP), which is believed to be generated as a paracrine hormone...
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Discovery of [1,2,4]triazolo[4,3-a]pyrazine derivatives bearing 4-oxo-pyridazinone moiety as potential c-Met kinase inhibitors

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00575D, Paper
Binliang Zhang, Xiaobo Liu, Hehua Xiong, Qian Zhang, Xin Sun, Zunhua Yang, Shan Xu, Pengwu Zheng, Wufu Zhu
Two series of [1,2,4]triazolo[4,3-a]pyrazine derivatives bearing 4-oxo-pyridazinone moiety (compounds 21a-l and 22a-l) were designed and evaluated for the IC50 values against three cancer cell lines (A549, MCF-7 and Hela) and...
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Non-Photoisomerizable Butterfly Shaped Tetrasubstituted Azobenzenes: Synthesis and Photophysical Studies

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01092H, Paper
Raman Arunachalam, Afeefah U Neelambra, Venugopal Karunakaran, Easwaramoorthi Shanmugam
The trans-azobenzene (AB) substituted derivatives with bulky carbazole (1), phenothiazine (2), and phenyl (3) have been synthesized to understand the effect of steric crowding around –N=N– linkage on the photoisomerization...
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Effect of number and different types of proton donors on excited-state intramolecular single and double proton transfer in bipyridine derivatives: theoretical insights

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01304H, Paper
Komsun Chaihan, Nawee Kungwan
Intra-HBs are strengthened upon photoexcitation, confirmed by red-shift in vibrational mode and topology analysis. Number and type of donors result in difference in photophysical properties. Occurrence of ESIPT depends on barrier and reaction energy.
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Fabrication of a 3D self-supporting Ni–P/Ni2P/CC composite and its robust hydrogen evolution reaction properties in alkaline solution

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00727G, Paper
Fan Yang, Shuqin Yang, Qianqian Niu, Siyue Huo, Zimo Song, Laizhou Song
The Ni–P/Ni2P/CC composite exhibits excellent alkaline HER properties derived from Ni–P filling the sites on the CC not occupied by Ni2P nanosheets.
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Catalytic transfer hydrogenation of biomass-derived levulinic acid to γ-valerolactone over Sn/Al-SBA-15 catalysts

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01288B, Paper
Sakthivel Kumaravel, Sivakumar Thiripuranthagan, Mani Durai, Elangovan Erusappan, Thanigaivel Vembuli
The synthesized inexpensive catalysts show high catalytic transfer hydrogenation activity at ambient N2 pressure under non-corrosive conditions. The Sn/Al-SBA-15 (25) catalyst exhibited the highest catalytic activity with 99% conversion of levulinic acid and 100% selectivity towards GVL.
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Synthesis of characteristic polyisoprenes using rationally designed iminopyridyl metal (Fe and Co) precatalysts: investigation of co-catalysts and steric influence on their catalytic activity

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00942C, Paper
Wenhua Lin, Liping Zhang, Hongyi Suo, Arumugam Vignesh, Nighat Yousuf, Xiang Hao, Wen-Hua Sun
A series of iminopyridyl ligand-based iron and cobalt complexes are utilized as catalysts in isoprene polymerization, in which the microstructure of resultant polyisoprenes was investigated.
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Investigation of phosphogypsum valorization by the integration of the Merseburg method

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00387E, Paper
Ines Hammas-Nasri, Sarra Elgharbi, Mounir Ferhi, Karima Horchani-Naifer, Mokhtar Férid
The proposal of a method for converting the phosphogypsum waste (PG) remains the focus of many researchers since its quantity, growing considerably, is causing serious environmental problems.
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Water-soluble poly(N-isopropylacrylamide) nanoparticles grafted to trivalent lanthanide complexes as highly sensitive ratiometric nanothermometers

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01263G, Paper
Josiane Aparecida Sobrinho, Gilmar Araújo Brito Júnior, Italo Odone Mazali, Fernando Aparecido Sigoli
A new water-soluble, luminescent ratiometric nanothermometer with a tunable temperature-responsive range, high thermal sensitivity and good repeatability was designed and synthesized by grafting lanthanide complexes to pNIPAM polymeric nanoparticles.
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Discrete and polymeric ensembles based on dinuclear molybdenum(VI) building blocks with adaptive carbohydrazide ligands: from the design to catalytic epoxidation

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01045F, Paper
Edi Topić, Jana Pisk, Dominique Agustin, Martin Jendrlin, Danijela Cvijanović, Višnja Vrdoljak, Mirta Rubčić
Discrete and polymeric ensembles based on dimolybdenum(VI) units with adaptive carbohydrazide ligands are described. The polymeric complexes are efficient catalysts for cyclooctene epoxidation under eco-friendly conditions.
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Complexes of BiCl3 with hydrazone derived ligands: Möbius-like discrete metal chelate versus salt-like porous polymeric structure

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00930J, Paper
Damir Safin, Farhad Akbari Afkhami, Ghodrat Mahmoudi, Barbara Miroslaw, Fengrui Qu, Arunava Gupta, Antonio Frontera, Fedor Ivanovich Zubkov, Ennio Zangrando
In this work we have synthesized and characterized a new helical complex of BiCl3, namely [Bi(LI)Cl3], fabricated from an extremely bulky ligand 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane (LI). The same reaction of BiCl3 with...
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Application of Modifier-free Gold Nanoparticle Colorimetric Sensing for Rapid Screening and Detecting Vitamin B1

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01401J, Paper
Paweenar Duenchay, Kantima Kaewjua, Orawon Chailapakul, Weena Siangproh
In this report, we present a transparency sheet-based colorimetric sensor as an alternative platform for the simple, sensitive and selective determination of vitamin B1 in urine samples by using unmodified...
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Label-free colorimetric detection of serum cysteine using Ag-NPs probes for immanence of Be2+ ions

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00967A, Paper
Chandrababu Rejeeth, Alok Sharma, Varukattu Nipun babu, Rahul Gautam
Amino acids play a crucial role in a variety of significant metabolic processes and their homeostasis is essential for cell growth and survival. Cysteine (Cys) furnishes imperative information about peculiar...
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Facile functionalization of boron nitride (BN) for the development of high-performance asymmetric supercapacitors

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New J. Chem., 2020, Advance Article
DOI: 10.1039/C9NJ06284J, Paper
Chandan Kumar Maity, Sumanta Sahoo, Kartikey Verma, Ajaya Kumar Behera, Ganesh Chandra Nayak
Ternary composites based on functionalized BN, a carbonaceous material, and PANI are developed for real-time asymmetric supercapacitor application.
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Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic comp

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01018A, Paper
Zaib ul Nisa, Lobzang Tashi, Charanjeet Sen, Nargis Akhter Ashashi, Subash Chandra Sahoo, Haq Nawaz Sheikh
Eight isostructural coordination polymers were synthesized by a solvothermal method. The luminescent Eu/Tb polymers function as efficient sensors for nitroaromatics via turn-off mode.
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Recent progress and approaches on the synthesis of Mn-doped zinc oxide nanoparticles: A theoretical and experimental investigation on the photocatalytic performance

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01530J, Paper
Joyce Silva, Nivaldo Freire Andrade Neto, Marisa Carvalho Oliveira, Renan Pontes Ribeiro, S Lazaro, Yara Gomes, Carlos Paskocimas, Mauricio Bomio, Fabiana Motta
Transition metal-doped semiconductors are promising to conduct the future of environmental remediation from photocatalysis. In this study, the role of Mn-doping on the structural, electronic, morphological, optical, and photocatalytic properties...
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Novel nitro substituted formazan derivatives: Selective ratiometric and colorimetric chemosensors for fluoride anion sensing detectable by the naked eye

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01860K, Paper
Gulsen Turkoglu
Novel two formazan derivatives FNB and FDNB were synthesized from their corresponding phenylhydrazone and characterized by various spectroscopic methods. The sensing ability of these formazan sensors towards different anions was...
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Synthesis and herbicidal application of turpentine derivative p-menthene type secondary amines as sustainable agrochemicals

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00583E, Paper
Huanhuan Dong, Shichao Xu, Jing Wang, Hongmei Zhang, Yuxiang Chen, Liangwu Bi, Zhendong Zhao
Compound 3a showed excellent herbicidal activity against barnyard grass with IC50 = 7.0 mg L−1, and exhibited good selection for rice, wheat, and radish at 100 mg L−1.
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Surface modification of graphene oxide via noncovalent functionalization with porphyrins for selective photocatalytic oxidation of alcohols

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01141J, Paper
Tossapong Phuangburee, Dmytro Solonenko, Nukorn Plainpan, Patchanita Thamyongkit, Dietrich R. T. Zahn, Sakulsuk Unarunotai, Thawatchai Tuntulani, Pannee Leeladee
GO–porphyrin composites were simply prepared by a self-assembly process. The noncovalent interactions between the porphyrins and oxygen-containing functional groups on GO play a crucial role in controlling their photocatalytic activities.
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Ultrasound-assisted extraction of bioactive alkaloids from Phellodendri amurensis cortex using deep eutectic solvent aqueous solutions

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00877J, Paper
Yuanbin Li, Zuchen Pan, Binshen Wang, Wen Yu, Siwei Song, Huanhuan Feng, Weiwei Zhao, Jiaheng Zhang
ChCl/citric acid-based DESs are demonstrated to be effective green solvents for the ultrasound-assisted extraction of bioactive alkaloids from herbs.
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Bio-fabricated ZnO nanoparticles: direct sunlight-driven selective photodegradation, antibacterial activity, and thermoluminescence-emission characteristics

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01611J, Paper
Anupama R. Prasad, Anagha M., Shamsheera K. O., Abraham Joseph
Zinc oxide (ZnO) nanoparticles were prepared via a Gliricidia sepium leaf extract-assisted green synthetic route. Near-spherical and elongated nanoparticles were obtained according to morphology analysis.
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Synthesis of a new Ni complex supported on CoFe2O4 and its application as an efficient and green catalyst for the synthesis of bis(pyrazolyl)methane and polyhydroquinoline derivatives

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00223B, Paper
Taiebeh Tamoradi, Seyedeh Masoumeh Mousavi, Masoud Mohammadi
A novel and magnetic nanocatalyst was synthesized for the synthesis of multicomponent compounds.
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Ultrastable conductive microporous covalent triazine frameworks based on pyrene moieties provide high-performance CO2 uptake and supercapacitance

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01292K, Paper
Mohamed Gamal Mohamed, Ahmed F. M. EL-Mahdy, Yasuno Takashi, Shiao-Wei Kuo
Two pyrene-functionalized CTFs through ionothermal treatment TCNPy in the presence of molten zinc chloride at 500 °C, which displayed high-performance CO2 uptake and supercapacitance.
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Single-pot template-free synthesis of a glycerol-derived C–Si–Zr mesoporous composite catalyst for fuel additive production

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New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00523A, Paper
Saurabh Kumar, Nagabhatla Viswanadham, Sandeep K. Saxena, Arumugam Selvamani, Jitendra Diwakar, Ala’a H. Al-Muhtaseb
The C–Si–Zr material synthesized from bio-derived waste glycerol, ZrO(NO3)2 and TEOS exhibits excellent catalytic activity for tri-acetin production from low-value glycerol.
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Design, Synthesis and Evaluation of A Novel Glutamine Derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluoro-butanoic acid

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00410C, Paper
song Liu, Renbo Wu, Yuli Sun, Karl Ploessl, Yan Zhang, Yajing Liu, zehui wu, Lin Zhu, H. F. Kung
Glutamine is an important source of nutrient for tumor proliferation. Designing new glutamine-metabolizing PET imaging agents is useful for tumor diagnosis and treatment. Herein, a novel glutamine derivative, (2S,4R)-2-amino-4-cyano-4-[18F]fluoro-butanoic acid,...
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Fast and easy conversion of ortho amidoaryldiselenides into the corresponding Ebselen-like derivatives driven by theoretical investigations.

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01605E, Paper
Vanessa Nascimento, Pâmella da Silva Cordeiro, Massimiliano Arca, Francesca Marini, Luca Sancineto, Antonio Luiz Braga, Vito Lippolis, Michio Iwaoka, Claudio Santi
DFT calculations performed on amidoaryldiselenides as electrophilic derivatives evidenced the presence of a prevalent Se···O weak interaction when selenium is bonded to a Se atom (diselenides), a Br atom (selenenyl...
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Linear dicarboxylate based pyridyl appended cobalt(II) coordination polymers in search of opto-electronic properties

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New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00567C, Paper
Faruk Ahmed, Joydeep Datta, Samim Khan, Basudeb Dutta, Sakhiul Islam, Sanobar Naaz, Partha Pratim Ray, Mohammad Hedayetullah Mir
Two new coordination polymers (CPs) [Co(adc)(4-ppy)(H2O)2]n, (1) and [Co(adc)(4-bppy)(H2O)2]n, (2) (H2adc = acetylenedicarboxylic acid, 4-ppy = 4-phenylpyridine and 4-bppy = 4-(4-bromophenyl)pyridine) have been synthesized and characterized by various techniques including...
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