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Epistemology: the key thinkers / edited by Stephen Hetherington

Dewey Library - BD161.E655 2019




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The world-directedness of emotional feeling: on affect and intentionality / Jean Moritz Müller

Dewey Library - B815.M2 M85 2019




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Arts of address: being alive to language and the world / Monique Roelofs

Dewey Library - B824.15.R64 2020




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Personal identity in moral and legal reasoning / Richard Prust (St. andrews University), Jeffery Geller (University of North Carolina, Pembroke)

Dewey Library - B828.5.P78 2019




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Earthly immortalities: how the dead live on in the lives of others / Peter Moore

Dewey Library - BD421.M59 2019




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Potentiating anti-cancer chemotherapeutics and antimicrobials via sugar-mediated strategies

Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/C9ME00175A, Minireview
Sneha Sree Mullapudi, Debirupa Mitra, Min Li, En-Tang Kang, Edmund Chiong, Koon Gee Neoh
This article reviews the design considerations behind sugar-mediated strategies for potentiating the efficacy of drugs/photosensitizers in cancer treatment, and antimicrobials.
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Outstanding Reviewers for Molecular Systems Design & Engineering in 2019

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

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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Active learning a coarse-grained neural network model for bulk water from sparse training data

Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/C9ME00184K, Communication
Troy D. Loeffler, Tarak K. Patra, Henry Chan, Subramanian K. R. S. Sankaranarayanan
Active learning scheme to train neural network potentials for molecular simulations.
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Competitive hydrogen bonding in supramolecular polymerizations of tribenzylbenzene-1,3,5-tricarboxamides

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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Improving the Cd2+ detection capability of a new anionic Rare Earth Metal-Organic Framework based on a [RE6(μ3-ΟΗ)8]10+ secondary building unit: An ion - exchange approach towards more efficient sensors

Mol. Syst. Des. Eng., 2020, Accepted Manuscript
DOI: 10.1039/C9ME00176J, Paper
Nikos Panagiotou, Kasiani Evangelou, Athanasia Psalti, Nektaria Varnava, Giasemi K. Aggeli, Pantelis Trikalitis, John C Plakatouras, Theodore Lazarides, Anastasios Tasiopoulos
The synthesis and characterization of a new family of rare earth (RE) MOFs based on a hexanuclear (RE)6 secondary building unit (SBU) and the angular dicarboxylic ligand 4,4'-oxybisbenzoic acid (H2OBA)...
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Connecting molecular mechanisms of biofilm formation and functional biomaterials

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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Effect of substituents in sulfoxides on the enhancement of thermoelectric properties of PEDOT:PSS: experimental and modelling evidences

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

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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A gold–carbon dots nanoprobe for dual mode detection of ketamine HCl in soda drinks

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

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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Modulation of magnetic relaxation behaviors via replacing coordinated solvents in a series of linear tetranuclear Dy4 complexes

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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Antitumor effects of novel nickel-hydrazone complexes in lung cancer cells

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00921K, Paper
Damir Safin, Burak AY, Onur ŞAHİN, Burcu Saygideğer Demir, Yasemin Saygideger, José Maria López-de-Luzuriaga, Ghodrat Mahmoudi
In this work we have synthesized and characterized two new mononuclear nickel(II) complexes [NiLI]∙CH3CN (1∙CH3CN) and [Ni(H2LII)(NCS)2]∙0.5H2O (2∙0.5H2O), fabricated from a mixture of Ni(NO3)2 and KNCS with N',N'''-(1,2-diphenylethane-1,2-diylidene)di(picolinohydrazide) (H2LI) and...
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Modulating the Thermomechanical Properties and Self-Healing Efficiency of Siloxane-Based Soft Polymers Through Metal-Ligand Coordination

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01119C, Paper
Julia Pignanelli, Zhiyuan Qian, Xiaodan Gu, Mohammed Jalal Ahamed, Simon Rondeau-Gagné
Short oligomeric species end-capped with imine-based ligands can generate intrinsic autonomous self-healable soft polymer upon metal coordination, allowing for the preparation of materials that can be easily fine-tuned in terms...
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A first-principles study of the substitutional doping of MgCl2 monolayer for spintronics applications

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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Ultrasonic Promoted Synthesis of Ag Nanoparticles Decorated Thiourea–Functionalized Magnetic Hydroxyapatite: A Robust Inorganic–Organic Hybrid Nanocatalyst for Oxidation and Reduction Reactions

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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Sensing the polar molecules MH3 (M = N, P, or As) with a Janus NbTeSe monolayer

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01022G, Paper
Open Access
Xiaoyong Yang, Deobrat Singh, Zhitong Xu, Rajeev Ahuja
The unique intrinsic electric field and prominent physical and chemical properties of Janus TMDs have attracted extensive attention for device applications.
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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

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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Multifunctional polymers with interpenetrating structures: luminescent sensing, ECL behaviors, selective detection of Fe3+ ion and rapid removal of anionic dyes

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01066A, Paper
Lingshu Meng, Lun Zhao, Guanlin Guo, Xin Liu
Three novel 3D coordination polymers (CPs), {[Cd(L)(bimb)](H2O)4}n (1), {[Zn(L)(bibp)](H2O)(DMF)}n (2) and {[Zn(L)(bif)](H2O)4}n (3) (bimb= 1,4-bis(imidazoly-1-yl)benzene, bibp= 4,4'-bis(imidazol-1-yl)biphenyl, bif= 2,7-bis(1-imidazoly)fluorene, H2L=1-(4-carbxoylphenyl)piperidine-4-caboylic acid) have been synthesized under solvothermal conditions. Compound 1 featured...
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Nitrogen doped graphitic porous carbon from Almond Shell as an efficient persulfate activator for organic compounds degradation

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01148G, Paper
Zakaria Anfar, Abdellah Ait El Fakir, Hassan Ait Ahsaine, Mohamed Zbair, Salaheddine Farsad, Fabrice Morlet-Savary, Amane Jada, Noureddine El Alem
Here, we have developed a simple and efficient low-temperature process for doping N into graphitic porous carbon to prepare a catalyst: N-GPC. Almond Shell (AS) as Bio-sourced material was used...
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Catalytic oxidation mechanisms of carbon monoxide over single and double vacancy Mn-embedded graphene

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01500H, Paper
Mingming Luo, Zhao Liang, Mingwei Chen, Shaik Gouse Peera, Chao Liu, Hui Yang, Xiaopeng Qi, Juan Liu, Tongxiang Liang
Single-atom catalysts (SACs) have been extensively investigated in recent times due to their highly dispersed atomic levels and the improved distribution of their metallic active sites, maximizing the specific activity...
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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

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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Preparation of MOFs Catalysts Simultaneously Modulated Metal Nodes and Ligands Via One-Pot Method for Optimizing Cycloaddition Reactions

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01086C, Letter
Peng Wang, Sha Wang, Wenlei Zhang, Xiaohan Li, Zhida Gu, Wenze Li, Shuang Zhao, Yu Fu
MOFs catalysts are farbricated in one-pot method by simultaneously adjusting metal nodes and ligands. Pore environments, Lewis acids (LAs) and Brønsted acids (BAs) are controlled when using BAs groups to...
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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

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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Bonding–antibonding state transition induces multiple electron modulations toward oxygen reduction reaction electrocatalysis

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00660B, Paper
Qi Zhang, Haixia Zhong, Can Chen, Juexian Cao, Liwen Yang, Xiaolin Wei
B doping induces the transformation from the bonding state to the antibonding state of an Ni–N bond, resulting in enhanced ORR activity.
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Synthesis of 3-halochromones with simple KX halogen sources enabled by in situ halide oxidation

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00825G, Paper
Yan Lin, Jie-Ping Wan, Yunyun Liu
An in situ oxidation strategy for generating molecular halogen has been developed for the synthesis of 3-halochromones by employing simple potassium halides as halogen sources.
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A nickel molybdenum oxide nanoarray as an efficient and stable electrocatalyst for overall water splitting

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01232G, Paper
Xiaoshuang Zhang, Hui Su, Xiaoqiang Du
Experimental and DFT calculation results show that the presence of oxygen vacancies can decrease the adsorption energy of intermediates at active sites and facilitate their adsorption, thus improving the catalytic properties.
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The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01440K, Paper
Andrea S. Mac Cormack, Verónica M. Busch, M. Laura Japas, Lisandro Giovanetti, Florencia Di Salvo, Pablo H. Di Chenna
Vicinal di-halo substituents have a determinant effect on the supramolecular self-assembly and properties of aromatic physical gelators with application as soft templates.
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Water-soluble poly(N-isopropylacrylamide) nanoparticles grafted to trivalent lanthanide complexes as highly sensitive ratiometric nanothermometers

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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Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular frameworks from imidazole multi-carboxylate

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01189D, Paper
Qingxu Wang, Zhejun Ye, Guoqing Shi, Kaimeng Guo, Gang Li
At 98% RH and 100 °C, two dimer-based HSFs show the best σ values of 3.13 × 10−4 S cm−1 for 1 and 0.55 × 10−4 S cm−1 for 2, which can be compared to the values of reported HSFs.
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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

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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Application of Modifier-free Gold Nanoparticle Colorimetric Sensing for Rapid Screening and Detecting Vitamin B1

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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Novel nitro substituted formazan derivatives: Selective ratiometric and colorimetric chemosensors for fluoride anion sensing detectable by the naked eye

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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Iron and chromium MOFs as sustainable catalysts for transfer hydrogenation of carbonyl compounds and biomass conversions

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ00552E, Paper
Punitharaj Vasanthakumar, Dharmalingam Sindhuja, Duraisamy Senthil Raja, Chia-Her Lin, Ramasamy Karvembu
Fe and Cr based MOFs (MIL-88B) act as efficient and reusable catalysts for transfer hydrogenation of carbonyl compounds including bio-derived substrates.
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Surface modification of graphene oxide via noncovalent functionalization with porphyrins for selective photocatalytic oxidation of alcohols

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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Bio-fabricated ZnO nanoparticles: direct sunlight-driven selective photodegradation, antibacterial activity, and thermoluminescence-emission characteristics

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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Ultrastable conductive microporous covalent triazine frameworks based on pyrene moieties provide high-performance CO2 uptake and supercapacitance

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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Conjugated Small Organic Molecules: Synthesis and Characterization of 4- Arylpyrazole-decorated Dibenzothiophenes

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01887B, Paper
M. Bhanuchandra, Satyajit Panda, Ram Singh Jat, Amir Fayaz, Jony Saha, Ramalingam Thirumoorthi , Tapta Kanchan Roy
4-Arylpyrazole-decorated dibenzothiophenes have been synthesized. The synthesis involves the treatment of 2,8-dibromodibenzothiophene with pyrazole under Ullmann-type amination conditions for the dual C-N bond formation. The selective bromination of the resulting...
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Oxidative cyclization of thiosemicarbazide: chemo-dosimetric approach for highly selective fluorescence detection of cerium(IV)

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01100B, Paper
Ahad Shaikh, Pallabi Mukherjee, Sabyasachi Ta, Arun Bhattacharyya, Abhijit Ghosh, Debasis Das
A simple thiosemicarbazide based chemodosimeter detects Ce4+ ion through turn-on fluorescence. The sensing mechanism is based on oxidative cyclyzation. The chemodosimeter shows exceptional selectivity for Ce4+ that allows to detect...
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Efficient modulation of upconversion luminescence in NaErF4-based core-shell nanocrystals

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/C9NJ06240H, Letter
Tingting Pan, Li-Yuan Sun, Rongyao Gao, Li-Min Fu, Xi-Cheng Ai, Jian-Ping Zhang
Efficient modulation of upconversion selectivity of heavily-doped core-shell nanocrystals was achieved through precisely tuning of [F]/[RE] ratio during the synthesis. Brighter upconversion luminescence with smaller nanoparticle size and tunable color...
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Whole Genome Sequence Analysis and Homology Modelling of Main Protease and Non-Structural Protein 3 of the SARS-CoV-2 reveals an Aza-Peptide and a Lead Inhibitor with Possible Antiviral Properties

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ00974A, Paper
Arun K Shankar, Divya Bhanu, Anjani Alluri, Samriddhi Gupta
The family of viruses belonging to Coronaviridae consist of virulent pathogens that have a zoonotic property, Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) of this family...
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A non-enzymatic electrochemical approach for L-Lactic acid sensor development based on CuO.MWCNT nanocomposites modified with a nafion matrix

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01715A, Paper
Mohammad M. Hussain, Abdullah M. Asiri, Mohammed M. Rahman
Copper oxide ornamented multi-walled carbon nanotube nanocomposites (CuO.MWCNT NCs) were prepared using an unsophisticated wet-chemical technique in basic medium. CuO.MWCNT NCs was examined by using various analytical techniques for example...
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A Giant Lit Section―and More

Previewing the July/August issue.




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Hailstone Mountain

A tale set in Norway shortly after AD 1000.




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[ASAP] Structural and Biological Basis of Small Molecule Inhibition of <italic toggle="yes">Escherichia coli</italic> LpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis

ACS Infectious Diseases
DOI: 10.1021/acsinfecdis.9b00127