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  • Mixed polyanion NaFe1-x(VO)xPO4 glass-ceramic cathode system for safe and large scale economic Na-ion battery applications
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Suman Gandi; Vamsi Krishna Katta; Dimple P Dutta; BALAJI RAO RAVURI

    In this paper, the highly efficient mixed polyanion NaFe1-x(VO)xPO4 series of glass-ceramic cathode samples are synthesized for use in sodium-ion batteries with good specific capacity and capacity retention. Electrochemical experiments show that the best-conducting NaFe0.5(VO)0.5PO4 (x=0.5 mol%.) glass-ceramic sample delivers the highest capacity for both 1st and 20th cycles as it exhibits two distinct voltage plateaus (3.2 V and 2.8 V) along with discharge capacity retention (69.66 %) event at 10 C, compared with all other investigated samples. These desired results related to electrochemical performance make mixed polyanion NaFe1-x(VO)xPO4 series of glass-ceramic cathode networks for large-scale economic sodium-ion battery applications.

    更新日期:2020-01-15
  • Supramolecular organogels based on mesogenic 2,7-difunctionalized triphenylenes as simple system for water content assessment in light alcohols
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Nahir Vadra; Cristián Huck-Iriart; Lisandro Giovanetti; Pablo Héctor Hector Di Chenna; Fabio D. Daniel Cukiernik

    A series of three triphenylene compounds -denoted 2,7-THTP-DiCnOH- bearing four hexyloxy ancillary chains and two variable-length alkoxy chains terminally functionalized with hydroxyl groups have been synthesized and characterized. The three studied compounds exhibited thermotropic mesomorphism; the detailed nature of the mesophases was found to depend on the relative positions of the terminal functional groups relative to the crown formed by the ancillary chains. All the studied compounds were able to act as supramolecular gelators in a variety of alcohols, their organogelating ability has been rationalized in terms of physicochemical parameters like dielectric constant, which allowed to establish a very precise predictive “solvent gelation windows” for each compound. Remarkably stable gels have been detected for 2,7-THTP-DiC6OH in methanol. As a proof of principle, we present the water sensing performance as a vrapid method for the assessment of water content in alcohols samples based on the influence that the water content exerts on gels´thermostability.

    更新日期:2020-01-15
  • An incisive optical recognition of monohydrogen phosphate by a fluorescein based chemodosimeter
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Sharad Kumar Ashthana; Abha Pandey; Ajit Kumar; Kaushal Kumar Upadhyay

    Numerous methods for determination of phosphates (H2PO4–, HPO42–, PO43–, PPi) are described in the literature. However, design of optical probes which are able to recognize spcifically monohydrogen phosphate (MHP) ion i.e. HPO42– has been rarely considered. We herein devised an incisive chemodosimeter (FLH) for detecting HPO42– over other members of phosphates successfully.

    更新日期:2020-01-15
  • Oleanolic acid derivative isolated from Gardenia jasminoides var. Radicans alleviates LPS-induced acute kidney injury in mice by reducing oxidative stress and inflammatory responses via the TLR4/NF-ĸB/NLRP3 signaling pathway
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Meng Nan Zeng; Yangang Cao; Ruiqi Xu; Yuanyuan Wu; Yangyang Wang; Yanli Zhang; Xiao Ke Zheng; Wei Sheng Feng

    Acute kidney injury (AKI) is a frequent complication of sepsis with hallmarks including inflammation and oxidative stress. A large amount of oleanolic acid derivatives (TO) have been isolated from Gardenia jasminoides var. Radicans, a traditional Chinese medicine with anti-inflammatory efficacy; thus, the aim of the present study was to evaluate the protective effects of TO on injury in a murine model of endotoxemic AKI. Kidney function, inflammation, oxidative stress, apoptosis, white blood cell count, TLR4/NF-kB/NLRP3 pathway involvement and metabolic profiling of the serum were evaluated. The results show that TO significantly ameliorated renal function in mice with LPS-induced AKI; 2-Deoxy-D-glucose (2-DG) optical probe imaging indicated that TO markedly reduced the levels of inflammation; flow cytometry demonstrated that TO had an excellent antioxidant effect, regulating immune cells; western blotting indicated that TO inhibited the TLR4/NF-kB/NLRP3 signaling pathway; and metabolic profiling of the serum also demonstrated the protective effects of TO on injury in a murine model of endotoxemic AKI. In summary, TO renoprotection involves the attenuation of LPS-induced renal inflammation and oxidative stress, which may be mediated via inhibition of the TLR4/NF-kB/NLRP3 signaling pathway.

    更新日期:2020-01-15
  • Label-free fluorescence assay based on near-infrared B, N-doped carbon dots as a fluorescent probe for the detection of sialic acid
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Nan Wang; Mengke Wang; Yang Yu; Guojian Yang; Xingguang Su

    Near-infrared fluorescent nanomaterials are highly promising materials for biomedical applications because of their avoiding of auto-fluorescence of organisms. We herein report a facile one-pot synthesis of near-infrared B, N co-doped carbon dots (CDs) by using o-phenylenediamine (OPD) and 3-aminophenylboronic acid (ABPA) as precursor. The prepared near-infrared B, N-doped carbon dots with fluorescence emission wavelength of 645 nm have abundant boric acid groups on the surface of CDs, that can combine with the ortho-dihydroxy group of sialic acid (SA)to form a five-membered ring, leading to the formation of CDs/SA complex, which can enhance the fluorescence intensity of CDs. Thus a simple and sensitive fluorescence method for the detection of sialic acid was established. The fluorescence intensity change of the system (F/F0) exhibited a good linear relationship with the concentration of sialic acid in the range of 20 -1000 μM with a detection limit of 9.24 μM, This near-infrared fluorescent probe was successfully applied to the detection of sialic acid in simulating human saliva samples with satisfactory results.

    更新日期:2020-01-15
  • Highly efficient FeNPs embedded hybrid bifunctional reduced graphene oxide for Knoevenagel condensation with active methylene compounds
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Dikin Patel; Ravi Vithalani; Chetan K. Modi

    We have synthesized atypical highly active bifunctional FeNPs implanted on amino-modified reduced graphene oxide (FeNPs/Am@rGO) [where FeNPs = Fe nanoparticles; Am = Primary aromatic amine derivatives such as p-phenylenediamine (PPD) and/or aniline (AN)] nanocatalysts with acid-base dual-activation mechanism by introducing primary aromatic amines on the basal and/or edges sites of rGO offering a base characteristic and FeNPs anchored onto the surface of rGO supplying Lewis acidic nature. These nanocatalysts were well corroborated through assorted physicochemical techniques. Impressively, FeNPs/Am@rGO significantly promoted a one-pot Knoevenagel condensation reaction with different aromatic aldehydes and active methylene compounds bestowing excellent activity to give synthetically valuable multifunctional benzylidene derivatives. The impact of discrete parameters influencing catalytic activity has also been monitored. Under the optimized stipulations, FeNPs/PPD@rGO exclusively promoted the aforementioned reaction leading to 100% benzaldehyde conversion with a 100% yield of the product along with TON and TOF (h-1) values are 350.8 and 100.2, respectively. Besides this, it could be effortlessly recycled by centrifugation after each run and afterward reused without momentous loss of its catalytic activity in a six cycles test.

    更新日期:2020-01-15
  • Preparation and Characterization of CdWO4: Cu Nanorods with Enhanced Photocatalytic Performance under Sunlight Irradiation
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Vijaya Kumar B.; Narsimha Kura; Shekarbabu Mannepally; Anuradha Neelakantla; Swarupa Guda; Kranthi Kumar Bedala; Mallesh Dosali; Upender G; P. Muralidhar Reddy

    The objective of this work is to convert an ultraviolet active photocatalyst to visible active photocatalyst and investigate the effect of Copper (Cu2+) doping on morphology and photocatalytic activity of CdWO4. Efficient visible light driven Cu2+ doped CdWO4 photocatalysts were successfully prepared by hydrothermal method and characterized by various techniques. The XRD results revealed that CdWO4 and Cu2+ doped CdWO4 have crystallized in monoclinic wolframite structure. The SEM images displayed nano rod like morphology and as the Cu2+ content is increased, irregular structures were observed. The best photocatalytic activity was observed for Cd0.95Cu0.05WO4 in the presence of H2O2 under sunlight irradiation and it was found to be 5 times more than pristine CdWO4. The enhanced photocatalytic activity of Cu2+ doped CdWO4 compositions leads to further improvement of the catalysts for environmental remediation.

    更新日期:2020-01-15
  • Synthesis, photophysics and biomolecules interactive studies of new hybrid benzo-2,1,3-thiadiazoles.
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Jose Neto; Roberta Krüger; Renata Balaguez; Mariana G Fronza; Thiago Acunha; Robson da Silva Oliboni; Lucielli Savegnago; Bernardo Almeida Iglesias; Diego Alves

    Four new hybrid molecules containing benzo-2,1,3-thiadiazole, benzofuran and arylselanyl moieties, named 4,7-bis(3-(arylselanyl)benzofuran-2-yl)benzo[c][1,2,5]thiadiazoles were designed and synthesized in good yields through an electrophilic cyclization of 4,7-bis((2-methoxyphenyl)ethynyl)benzo[c][1,2,5]thiadiazole 1 and diaryl diselenides 2 using trichloroisocyanuric acid to generate electrophilic arylselanyl species. Photophysical properties of compounds 3a-d were investigated using UV-vis absorption and emission fluorescence analysis. The emission fluorescence analysis showed a yellow-orange region emission. Large Stokes shifts values were observed for all new derivatives and attributed to the ICT state and to the electron-substituent properties. The biomolecule-binding DNA and HSA-binding interactions were also investigated by experimental and theoretical methods.

    更新日期:2020-01-15
  • Synthesis of Star Poly(N-isopropylacrylamide) with Two Zinc-porphyrins as Core and End-groups Respectively via ATRP & “CLICK” Chemistry and Photocatalytic Performance Study
    New J. Chem. (IF 3.069) Pub Date : 2020-01-15
    Bo Gao; Yifu Ruan; Shuhui Lv; Qian Duan

    Through the cooperation of atom transfer radical polymerization (ATRP) and click reaction, the star-shaped poly(N-isopropylacrylamide) with 5,10,15,20-tetra(4-(2-bromoisobutoxy)phenyl)-21H, 23H-zincporphyrin (ZnTHPP-4Br) as the core and 5-(4-propargyloxyphenyl)-10,15,20-triphenylzinc-21H, 23H-porphyrin (ZnTPP-Py) as the end groups (ZnTHPP-(PNIPAM-ZnTPP)4) was prepared, and it was used as photocatalyst for the degradation of Rhodamine B under visible-light irradiation. The structure of star-shaped polymer was characterized by FT-NIR, 1H NMR, UV-Vis and GPC clearly. The photocatalytic property study indicated that the ZnTHPP-(PNIPAM-ZnTPP)4 had higher photocatalytic activity than before click reaction and can be recycled by warming.

    更新日期:2020-01-15
  • Structural changes in colloid solutions of nanodiamond†
    New J. Chem. (IF 3.069) Pub Date : 2020-01-06
    Stepan S. Batsanov; Dmitry A. Dan’kin; Sergey M. Gavrilkin; Anna I. Druzhinina; Andrei S. Batsanov
    更新日期:2020-01-15
  • 更新日期:2020-01-15
  • MOF-derived CuCoNi trimetallic hybrids as efficient oxygen evolution reaction electrocatalysts
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Junchao Ma; Boyan Lu; Sha Wang; Wenxiu He; Xiaojue Bai; Tieqiang Wang; Xuemin Zhang; Yunong Li; Liying Zhang; Junyi Chen; Fan-Bao Meng; Yu Fu

    Metal-organic frameworks (MOFs) as the templates can easily form the homogeneous multimetallic materials via metal ion exchange, which have been widely used as electrocatalysts of oxygen evolution reaction (OER) due to synergistic effect of metal ions. Herein, selecting Cu(BDC) as a template, a simple one-step impregnation method was used to prepare CuCoNi trimetallic electrocatalysts, which exhibited an excellent catalytic performance of OER with a low overpotential of 327 mV at a 10 mA·cm-2 current density and a small Tafel slope of 75.7 mV·dec-1. The outstanding OER activity may be attributed to the transformed 2D lamellar morphology, amorphous structure and the synergistic effect of metal species.

    更新日期:2020-01-14
  • Dendritic silica with carbon dots and gold nanoclusters for dual nanozymes
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Lirong Zhao; Xiangling Ren; Jing Zhang; Wei Zhang; Xudong Chen; Xianwei Meng

    Many biochemical processes are accomplished by multiple enzymes, so it is important to develop nanocomposite microspheres with multiple enzymes mimetic ability. Here a well-designed nanozyme engineering (termed dSCS-Au NPs) was established for dual nanozymes with dendritic silica spheres (dSs) used as carrier. The carbon dots (C-dots) were covalently immobilized into the interior surface of amino-terminated dSs, while gold nanoclusters (Au NCs) were linked to the surface of dSs through activating agents of EDC/NHS. The dSCS-Au NPs exhibited excellent compatibility for two nanozymes, maintaining superoxide dismutase (SOD)-like activity of C-dots and improving horseradish peroxidase (HRP)-like activity of Au NCs. In addition, the HRP-like activity of dSCS-Au NPs could be regulated by changing the amount of loading Au NCs. It is a promising application in biocatalysis with multiple enzyme reaction in the future.

    更新日期:2020-01-14
  • Synthetic saponite clays as promising solids for lanthanide ions recovery
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Stefano Marchesi; Fabio carniato; Matteo Guidotti; Mauro Botta; Leonardo Marchese; Chiara Bisio

    Extraction of lanthanides ions with different ionic radius (La3+, Gd3+ and Lu3+) from aqueous solutions was carried out by using two synthetic saponite clays. The clays, prepared through a simple and low-cost hydrothermal approach, showed different particles size and cation-exchange capacity (CEC) and were characterized in order to evaluate the influence of their physico-chemical properties on the uptake process. Metal uptake tests, performed in pure water and simulated freshwater and seawater solutions, demonstrated that synthetic saponites have a general good sorption capacity with high lanthanide capture after few hours of contact. The solid samples showed a higher selectivity for Lu3+, due to its low ionic radius.

    更新日期:2020-01-14
  • Co(ii) and Zn(ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity†
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Karim Chkirate; Khalid Karrouchi; Necmi Dege; Nada Kheira Sebbar; Abdelaziz Ejjoummany; Smaail Radi; N. N. Adarsh; Ahmed Talbaoui; Marilena Ferbinteanu; El Mokhtar Essassi; Yann Garcia
    更新日期:2020-01-14
  • Solution-processable BODIPY decorated triazine photodiodes and their comprehensive photophysical evaluation
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Burcu Topaloğlu; Gürkan Keşan; Emrah Özcan; Esra Tanrıverdi Eçik; Ayşegül Dere; Abdülkerim Karabulut; Fahrettin Yakuphanoglu; Bunyemin Cosut

    A solution-processed organic photodiodes can function as thin-film alternative for solid-state photosensor in various optoelectronic applications due to the physical and chemical tuneability. In spite of their unique structural, optical, and electronic properties, the development of BODIPY based organic phodiodes has lagged behind that of other luminescent chromophore units. Here, we demonstrate the design, synthesis, and characterization of two novel BODIPY decorated triazine tripods for next-generation solution-processed photosensor applications. The photophysical and thermal properties of the BODIPY decorated triazines were determined. Furthermore, the photo-electrochemical properties of newly synthesized compounds have been studied in detail using the photoconductivity measurement system. The potentials of the prepared diodes as sensors in solar tracking systems have been investigated. Also, quantum chemical calculations were applied to those compounds to examine effect of both OH group and different binding position on those compounds comparison with experimentally observed data. In addition, their photodiode properties were tested here. The obtained photoelectrical results indicate that BODIPY decorated triazine tripods based photodiodes can be used as a photosensor in optic control systems.

    更新日期:2020-01-14
  • Anion binding and fluoride ion induced conformational changes in bisurea receptors
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Xi Shu; Yu Fan; Shoujian Li; Yongdong Jin; Chuanqin Xia; Chao Huang

    Two types of bisurea receptors, containing either 2,6-substituted phenyl or 2,6-substituted pyridine, are prepared, and their anion binding properties are investigated. Compared with the phenyl bisurea receptors, the pyridine bisurea receptors can be more easily converted to a cis-cis conformation from a trans-trans conformation, providing a cavity that more closely matches the volume of a fluoride ion and increasing the number of NH sites bound to the fluoride ion. As a result, the pyridine bisurea in cis-cis conformation shows stronger affinity and higher selectivity to fluoride ions, which is supported by crystal structure analysis and NMR titration experiments. Through DFT calculations, a mechanism of fluoride ion induced conformational changes of pyridine bisurea receptors is proposed, and the energy barriers of conformational changes for both types of receptors are determined.

    更新日期:2020-01-14
  • Reactivity of hemi-labile pyridyl and pyrimidyl derived chalcogen ligands towards group 10 metal phosphine precursors
    New J. Chem. (IF 3.069) Pub Date : 2020-01-14
    Rohit Singh Chauhan

    An invariable thrust to understand the reactivity of hemilabile organoselenide and telluride ligand system made this area of interest more popular. To resolve the purpose various metal system has been applied. Among them group 10 metal precursors have been exploited dominantly compared to rest of others due to the importance of resulting complex as a catalyst, a good semiconductor and supercapacitor material. The widen applicability of these compounds drive us to explore chemistry of N-Heterocyclic based ligand system. Overall this perspective deals with the reactivity of N-Heterocyclic dichalcogenide Ar2E2 (Ar = C5H4N,C5H3(3-Me)N, C4H3N2, C4H(4,6-Me)N2; E= Se, Te) and their sodium salts (generated by the reductive cleavage of E-E bond through NaBH4) towards group 10 metal phosphine precursors via oxidative addition and substitution route. The oxidative addition reactions of [M(P-P)2] (M = Pd, Pt) / substitution reaction of [MCl2(P-P)] ( M = Ni, Pd, Pt) with diorgano dichalcogenide/ sodium salt of N-heterocyclic selenolate ligands afforded exclusively mononuclear compound [M(SeAr)2(P-P)] (M = Ni, Pd, Pt; Ar = C5H4N,C5H3(3-Me)N, C4H3N2, C4H(4,6-Me)N2 ; P-P = dppe, dppp, dppf) however, pyrimidyl selenolate derived mononuclear compounds which on prolonged stand in chlorinated solvent transformed to trinuclear product. In contrary to selenium analogues, mono to tri all probable nuclearity complexes have been isolated depending upon the metal, phosphine and nature of solvent. The isolation of various products results due to comparable bond dissociation energy of Te-Te and Te-C bond. Among these a ferrrocenyl auxiliary phosphine ligand based mono nuclear tellurolate compound [Pd(TeC5H4N)2(dppf)] has been used for H2S gas sensor application. The efficiency of the thin film of this compound is 75% with the sensitivity till 5 ppm at room temperature.

    更新日期:2020-01-14
  • Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C–H activation†
    New J. Chem. (IF 3.069) Pub Date : 2019-12-16
    Soumitra Dinda; Sarat Chandra Patra; Subhadip Roy; Supriyo Halder; Thomas Weyhermüller; Kausikisankar Pramanik; Sanjib Ganguly
    更新日期:2020-01-14
  • A luminescent MOF as a fluorescent sensor for the sequential detection of Al3+ and phenylpyruvic acid†
    New J. Chem. (IF 3.069) Pub Date : 2019-12-12
    Qian Wang; Xiao-Meng Du; Bo Zhao; Meili Pang; Yue Li; Wen-Juan Ruan
    更新日期:2020-01-14
  • Dinuclear Copper(II) Complexes Containing Oxamate and Blocking Ligands: Crystal Structure, Magnetic Properties and DFT Calculations
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Tatiana Renata Gomes Simões; Walace Doti do Pim; Karina Carla Metz; Marcos A Ribeiro; Daniel Valente; Thiago M. Cardozo; Carlos B Pinheiro; Emerson F. Pedroso; Bruno A. C. Horta; Cynthia L. M. Pereira; Gilmar Pereira Souza; Humberto Osório Stumpf

    Three dinuclear copper(II) complexes containing oxamate-based ligands with the chemical formula [Cu(opba)Cu(dap)(H2O)]•H2O (1), [Cu(opba)Cu(dap-OH)(H2O)]•1.5H2O (2) and [Cu(opba)Cu(en)(H2O)]•4H2O (3) in which opba = o-phenylenebis(oxamato), dap = 1,3-diaminopropane, dap-OH = 2-hydroxy-1,3-diaminopropane and en = ethylenediamine have been synthesized and their crystal structures have been determined by single-crystal X-ray diffraction. The molecular structures of 1-3 consist of neutral dicopper(II) complexes obtained by the "complex as ligand" strategy, in which each [Cu(opba]2‒ fragment acts as a bidentate ligand towards the copper(II) ion bonded to the amine capping ligands (dap, dap-OH and en) and the two other carbonyl groups are uncoordinated. Variable-temperature magnetic susceptibility measurements of 1-3 in the temperature range of 4-300 K reveal a strong antiferromagnetic coupling between the metal centers through the oxamate bridge with J = −183.5 cm−1 (1); J = −195.8cm−1 (2), and J = −195.6 cm−1 (3). The fit of the variable-temperature magnetic susceptibility data of 3 revealed that coupling CuIICuII•••CuIICuII between the dinuclear entities is very weak. In all cases, the Hamiltonian used was H = −JS1•S2. DFT calculations based on the broken-symmetry formalism were used to provide further insight and an explanation for the reported behavior.

    更新日期:2020-01-14
  • Highly Sensitive Detection for Cocaine Using Aptamer-Cocaine-Aptamer Method
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Li Gao; Huixing Wang; Zebin Deng; Wenwen Xiang; Haifeng Shi; Bin Xie; Haixia Shi

    In this study, the thiol-modified aptamer is immobilized on the gold nanoparticle-modified molybdenum disulfide composite material (MoS2@AuNPs), which can remove the interference of physical adsorption and reduce the false positive signal. Furthermore, non-fluorescent dual-thiol aptamer was immobilized on the surface of MoS2@AuNPs with low background signal. After attaching the cocaine using dual-thiol aptamer immobilized on the surface of MoS2@AuNPs, cocaine could be detected using a cocaine aptamer with FAM. The aptamer-cocaine-aptamer complex was used to form a fluorescent signal, which made the signal noise (S/N) relatively high and sensitive to cocaine detection with 0.54 pM. Under optimal conditions, the change in fluorescence intensity of the sensor was proportional to the concentration of cocaine in the range of 0-0.1 nM. This experiment was carried out in human serum and results showed that the analysis of cocaine using this sensor was promising.

    更新日期:2020-01-14
  • In-situ decorated MOFs-derived Mn-Fe oxides on Fe mesh as novel monolith catalysts for NOx reduction
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    heyan yao; Sixiang Cai; Bo Yang; Lupeng Han; Penglu Wang; Hongrui Li; Tingting Yan; Li-Yi Shi; Dengsong Zhang

    It is still a challenge to develop metal-based monolith deNOx catalysts with high activity, mass transfer ability and stability. Herein, we proposed a convenient and versatile pathway for the synthesis of novel monolith deNOx catalysts originated from the in-situ immobilization of metal organic framework (MOF) precursors on Fe mesh. Interestingly, the morphology and composition of the catalysts could be modulated by adjusting the synthesis parameters, such as the synthesis time, ligands and precursors, while the characterization results revealed the improvement of oxygen vacancies and Brønsted acid sites lead by the strong interaction between the uniformly distributed active Mn-Fe components. As a result, the novel monolith catalysts demonstrated improved catalytic performance as compared with the traditional catalysts obtained by hydroxide precursors. This work shed lights on the advantages of using MOFs-derived materials in-situ decorated on metal mesh as monolith catalysts and paved a way to design new monolith deNOx catalysts with excellent low-temperature catalytic activity for future attempt.

    更新日期:2020-01-13
  • Pre-formulation strategy for liposome encapsulation of new thioctic acid conjugates for enhanced chemical stability and efficient drug carrier for MPO-Mediated atherosclerotic CVD treatment
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    PREMKUMAR JAYARAJ; Gopal Venkatesh Shavi ; AnandaKumar Srinivasan; Ramesh Raghavendra; Sivaramakrishna Akella; Desikan Rajagopal

    Lipoyl-apocynin and lipoyl-sesamol are bio-active conjugates of thioctic acid (also known as alpha-lipoic acid), synthesized by benign chemical approach by the combination of thioctic acid and powerful bio-phytonutrients, apocynin and sesamol respectively. Encapsulation is done for chemically modified thioctic acid conjugates within liposome structure as a possible drug carrier for targeted site delivery without chemical degradation useful in myeloperoxidase (MPO) mediated atherosclerotic cardiovascular disease (CVD) treatment. Development of facile process route to thioctic acid conjugates with complete chemical characterization and bio-encapsulation of these chemical entities in a liposome sphere and establish encapsulation efficiency, zeta potential, vesicle size, surface morphology, and long-term sustained stability. The liposome conjugates are also characterized by critical in vitro experiments. The encapsulation efficiency of thioctic acid conjugates is found to be nearly 70%. Besides, vesicle size and zeta potential are also measured for formulated thioctic acid products. The chromatographic evaluation of encapsulated products reveals that liposomes seem to protect thioctic acid conjugates when it is incubated in simulated body fluid, preventing ester hydrolysis, thereby offering chemical stability to the thioctic acid conjugates. Liposome loaded conjugates are also established to be potent agents for MPO mediated atherosclerotic CVD in a relevant preclinical in vitro test. This is the first report on a highly efficient and sustainable chemical method for liposomal encapsulation of thioctic acid conjugates of apocynin and sesamol useful for MPO-mediated atherosclerotic CVD treatment substantiated by relevant in vitro assays.

    更新日期:2020-01-13
  • The Adsorption and Growth of Agn(n = 1~4) Clusters on Cubic, Monoclinic, and Tetragonal ZrO2 Surfaces: A First-Principles Study
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Tingting Liu; Yan Li; Changhai Liang

    Supported metal nanoparticles are widely used as catalysts in the industrial production of chemicals, but still suffer from deactivation because of metal leaching and sintering at high temperature. In this work, the adsorption and growth of Agn (n = 1 ~ 4) on cubic zirconia (c-ZrO2) (1 1 1), monoclinic zirconia (m-ZrO2) ( 1 1), and tetragonal zirconia (t-ZrO2) (1 0 1) surfaces has been examined by the aid of the first-principles calculation and periodic supercell model. The results show that the adsorption of a single silver atom on different zirconia surfaces follow the trend t-ZrO2 (1 0 1) > m-ZrO2 ( 1 1) > c-ZrO2 (1 1 1). Growth of Agn (n = 2 ~ 4) on different zirconia surfaces are thermodynamically feasible and the supports can improve the dispersion of silver particles, especially the surface of t-ZrO2 (1 0 1). The Bader charge analysis was conducted on the most stable adsorption structure of different zirconia surfaces for a single silver atom. The results show that no major charge transfer was observed when the silver atoms adsorbed on the stoichiometric c-ZrO2 (1 1 1), t-ZrO2 (1 0 1) and m-ZrO2 ( 1 1) surfaces, the silver’s unpaired electron remains largely localized on the metal adatom upon adsorption. The findings could help to understand the metal cluster-support interactions and design new catalysts for this kind of reaction.

    更新日期:2020-01-13
  • Praseodymium (III) anchored on the CoFe2O4 MNPs: An efficient heterogeneous magnetic nanocatalyst for one-pot, multi-component domino synthesis of polyhydroquinoline and 2,3-Dihydroquinazolin-4(1H)-one derivatives
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Taiebeh Tamoradi; Seyedeh Masoumeh Mousavi; Masoud Mohammadi

    In the present study, a facile technique to immobilize praseodymium (III) complex on the surface of magnetic nanoparticles was reported by available materials. The prepared samples were characterized by chemical and physical methods such as FT-IR, TGA, SEM, XRD and EDX techniques and were tested in the synthesis of polyhydroquinoline and 2,3-Dihydroquinazolin-4(1H)-one derivatives. It was observed that the yields of the reactions in the presence of the prepared nanocatalyst were good to excellent. More importantly, the use of a recoverable and novel magnetic nanocatalyst in these reactions is the outstanding feature of this protocol.

    更新日期:2020-01-13
  • Computational Prediction of Interaction and Pharmacokinetics Profile Study for the Polyamino- Polycarboxylic Ligands on Binding with Human Serum Albumin
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Nidhi Chadha; D Singh; M Milton; Gauri Mishra; joseph daniel; A. K. Mishra; Anjani K Tiwari

    Human Serum Albumin (HSA) is one of the most abundant plasma protein available in blood and responsible for transport of fatty acids, drugs and metabolites at its two primary binding sites (site 1 and site 2). The interaction of drug molecules with HSA is important and attention-grabbing in the field of science, chemistry and clinical medicine since it affects the drug stability and toxicity during the therapeutic process. Hence, the detailed investigation of HSA-drug interactions is required to understand the pharmacodynamics and pharmacokinetics profile of the drug. A drug molecule with effective pharmacological properties can be designed by studying the HSA binding study which acts as a reservoir for a long duration of action and ultimately affects the ADMET (absorption, distribution, metabolism, excretion and toxicity) properties of the drug molecules. Here in the present work the computational investigation including the binding analysis and interaction study of polyamino-polycarboxylic ligands with HSA was studied. The in silico analysis has been implemented at HSA drug binding sites, site 1 and Site 2 via docking studies, prime-MM-GBSA analysis (The molecular mechanics energies with the generalized Born and surface area continuum solvation), and multiple linear regression analysis with ADMET descriptors and quantitative estimation of Log KHSA for the respective molecules. These descriptors described the relevant pharmacokinetics and pharmacodynamics of these ligands for gadolinium based MRI agents (GBCA). Finally, a complete picture and correlation tells about the primary aspect for the selection of vehicle for magnetic resonance (MR) and lanthanide ion based optical imaging probes.

    更新日期:2020-01-13
  • Theoretical study on degradation mechanism of ornidazole on anatase TiO2 (101) and (001) surfaces
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Danyang Wang; Hai-Chuan Qin; Qiao-Qiao Qin; Xiang-Yang Liu; Laicai Li

    Ornidazole (ONZ) residue is an emerging pollutant posing a huge threat to environment and human. In this paper, the degradation mechanism of ONZ on anatase TiO2 (101) and (001) surfaces in vacuum and neutral aqueous solution were elucidated at DFT level. We found that ONZ was activated and oxidized after being adsorbed on the surface of TiO2, the C-N bond became longer, making the ring-opening degradation more likely to occur. This study found that the degradation of ONZ is more probable on the surface of TiO2(001) than that on TiO2(101). When the reaction changes from the vacuum to aqueous solution, the activation energy of ONZ degradation reaction on TiO2 surfaces was significantly decreased, which indicated that the solvent condition was more favorable for ONZ degradation.

    更新日期:2020-01-13
  • Slow magnetic relaxation in the O-Se-O bridged manganese(III) Schiff base complexes
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Shaoliang Zhang; Shanshan Li; Suyuan Zeng; Yang Shi; Da-Qi Wang; Lei Chen

    Two new chain complexes consisting of Mn(salen) building block bridged by O-Se-O units, [Mn2(salen)2(L)](ClO4) (1) and {[Mn(salen)]2(L)2}•Y (2) (salen = N,N'-bis(salicylidene)-ethylenediamine, L = 3,4,5-trifluorobenzeneseleninic acid, Y = salicylaldehyde) have been synthesized and characterized structurally and magnetically. In the two complexes above, the 3,4,5-trifluorobenzeneseleninic acid ligand adopt syn–anti bridging coordination mode and all the MnIII ions show distorted octahedral geometry. In complex 1, the [Mn2(salen)2]2+ dimers are connected alternatively by the bridging ligands into an infinite zigzag chain, while the [Mn(salen)]+ monomers are connected alternatively in complex 2. The magnetic measurements reveal that both complexes exhibit slow magnetic relaxation behaviours with effective energy barrier Ueff = 31.2 K for 1 and Ueff = 35.1 K for 2, respectively. These compounds are rare examples of a small number of aromatic selenite based magnetic materials.

    更新日期:2020-01-13
  • Theoretical study on the electronic structure and phosphorescence properties of two series of iridium(III) complexes with a four-membered Ir–S–C–S chelating ring
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Tong Chen; Deming Han; Jing Gao; Jiawei Li; Xiaohong Shang

    The electronic structure and photophysical properties of two series of iridium(III) complexes with a four-membered Ir–S–C–S chelating ring have been theoretically studied by using the density functional theory (DFT) and time-dependent density functional theory (TDDFT) method. The calculated geometrical parameters for complexes 1c and 2c are in good agreement with the available experimental values. Furthermore, 1c and 2c possess the smallest ΔEL→H levels in the two series complexes, respectively. The lowest lying absorption of 1c (2c) has the obvious redshift in contrast to those of 1a (2a) and 1b (2b). The lowest emission wavelengths of 1b (2b) and 1c (2c) have the obvious blue-shift and red-shift, respectively, in comparison with those of 1a (2a), which indicates that the introduction of benzene ring to the different position of the main ligand has the different effect on the photophysical properties. The calculated results show that extending the π-conjugation of the main ligand can tune the emission of the iridium complex and has the important effect on the photophysical properties. The complex 2c possibly possesses the largest kr value among all studied complexes. It is expected that the work can be useful to understand the relationship between structure and properties and develop efficient phosphorescent materials.

    更新日期:2020-01-13
  • Three New heterometallic ZnII–LnIII complexes with Windmill-like Framework and Field-Induced SMMs behavior
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Xiao-Tian Fan; Hua Yang; DaCheng Li; Haiquan Tian; Fan Cao; Jianmin Dou

    We have prepared three 3d-4f heterometallic complexes: [Ln3Zn3(Hvanox)3(vanox)3(NO3)6(H2O)5]∙nEtOH(LnIII=Dy,n=3 (1), LnIII=Tb,n=5 (2), LnIII= Er,n=5 (3) by the reaction of o-vanillin oxime (H2L) with Zn(NO3)2∙6H2O and Ln(NO3)2∙6H2O salts in the presence of triethylamine. Single Crystal X-ray diffusion shows Zn ions and Ln ions are linked together to display the windmill-like framework with the dinuclear LnZn(HL)(L) as flabellum. Magnetic measurements reveal that complexes 1 and 2 exhibits field-induced frequency-dependence signals, indicating single-molecule magnetism (SMMs) behavior, complex 3 exhibits slow magnetic relaxation.

    更新日期:2020-01-13
  • High protonic conduction in two metal–organic frameworks contained high-density carboxylic groups
    New J. Chem. (IF 3.069) Pub Date : 2020-01-13
    Yin Qin; Ming-Hao Xue; Baoheng Dou; Zhibing Sun; Gang Li

    To achieve crystalline solid MOFs showing high proton conductivity still faces great challenges. The organic functional ligands delicately designed will be very conducive to the realization of this goal. Herein, by adopting a designed ligand, p-N-imidazol-1-yl)-phenyl-1H-imidazole-4,5-dicarboxylic acid (p-IPhH3IDC) that contains two imidazole and two carboxylate units, two hydrolytically stable 2D MOFs, [Zn(p-IPhHIDC)]n (1) and [Co(p-IPhHIDC)]n (2) with high-density uncoordinated -COOH groups were successfully acquired. The water-assisted proton conductive characteristics of the two MOFs were explored. Expectedly, MOFs 1 and 2 exhibit super-high protonic conductivities up to 1.9 × 10-3 and 1.07 × 10-3 S/cm at 100 °C and 98% RH, respectively, which are among of these previous MOFs having high proton conductivities. Moreover, their proton-conducting performances maintained at last 8 days. We further discussed the conducting mechanism from the crystal structural analyses, N2 and H2O vapors adsorption determinations and the calculated Ea values, and pointed out that the uncoordinated -COOH groups in the frameworks were responsible for the high proton conductivity. Our study provides a useful strategy for constructing MOFs with high proton conductivity by assembling multiple functional units into an organic ligand.

    更新日期:2020-01-13
  • A high-capacity iron silicide–air primary battery in an acidic saline electrolyte†
    New J. Chem. (IF 3.069) Pub Date : 2019-12-16
    Junjie Wang; Lifeng Cui; Shasha Li; Tingting Pu; Xueyou Fang; Shifei Kang; Xiaodong Zhang
    更新日期:2020-01-13
  • Development of Nanofibrous Scaffolds by Varying TiO2 Content in Crosslinked PVA for Bone Tissue Engineering
    New J. Chem. (IF 3.069) Pub Date : 2020-01-11
    Nandini A. Pattanashetti; Chinmay Hiremath; Satishkumar R Naik; Geetha B Heggannavar; Mahadevappa Y. Kariduraganavar

    The use of ceramic and metal nanoparticles are widely proving as a preferred candidates for tissue engineering because of their excellent properties like, high penetration ability and high surface area with tuneable surface properties. In view of this, the effect of bioinert TiO2 incorporation in the polymer matrix is studied in the present study. Crosslinked poly(vinyl alcohol) was used as a main polymer base and different weight% of TiO2 (0.1 to 0.3 g) was incorporated into the crosslinked PVA matrix by varying the ratio of PVA:TiO2. Nanofibrous scaffolds were then fabricated using electrospinning technique. The physicochemical properties of the developed nanofibrous scaffolds was analysed systematically. Scanning electron microscopic images demonstrated well interconnected porous structure with uniform fibres in the range of several hundred nanometres. The effect of TiO2 incorporation was observed in terms of increase in the hydrophilicity of the scaffolds as required for cellular infiltration. The mechanical characterization of the developed scaffolds demonstrated an improved mechanical strength for lower amount of TiO2 incorporated scaffolds. The degradation study revealed slow rate of degradation with increase in TiO2 content in PVA matrix of the scaffolds. Cell viability was studied using MG-63 bone osteosarcoma cells for 24, 48, 72 and 96 h, wherein PT1 scaffold with 0.1 g of TiO2 content exhibited highest cell proliferation of 99.2%. The results thus clearly show that the TiO2 incorporated PVA scaffolds can be a potential candidates for bone tissue engineering.

    更新日期:2020-01-13
  • An efficient CO2 fixation reaction with epoxides catalysed by in situ formed blue vanadium catalyst from dioxovanadium(+5) complex: Moisture enhanced and atmospheric oxygen retarded catalytic activity
    New J. Chem. (IF 3.069) Pub Date : 2020-01-11
    sanfaori brahma; Rakhimoni Borah; Naranarayan Deori

    Two new dioxovanadium(+5) complexes, one anionic and other neutral, have been synthesised and X-ray crystallographically characterised here in this work. While doing cycloaddition reaction of CO2 to epoxides taking dioxovanadium(+5) complex as catalyst, a blue vanadium complex was generated in situ which is found to be the active catalyst, showing excellent catalytic activity in presence of tetrabutyl ammonium bromide as co-catalyst. The catalytic activity of the catalyst system is enhanced by moisture, on the other hand, retarded by atmospheric oxygen. The enhanced catalytic activity at moistened condition shows the applicability of the catalyst for the CO2 fixation from wet flue gas. However, retarded catalytic activity caused by atmospheric oxygen is important from the mechanistic point of view.

    更新日期:2020-01-13
  • A visible-light-active CuInSe2: Zn/g-C3N4/TiO2 nanowires for photoelectrocatalytic bactericidal effects
    New J. Chem. (IF 3.069) Pub Date : 2020-01-11
    Ning Jiang; Hongchao Geng; Yan Qiao; Xingqi Zhu; Chenyi Li; Qingyun Cai

    A visible-light-active CuInSe2: Zn/g-C3N4/TiO2 nanowires (NWs) photoelectrode was prepared by in-situ growth of g-C3N4 on the surface of TiO2 NWs, followed by drop deposition of Zn-doped CuInSe2 quantum dots (CuInSe2: Zn QDs) which is with a 2.205 eV band gap and can absorb visible light. The as-prepared ternary hybrid nanocomposite CuInSe2: Zn/g-C3N4/TiO2 NWs shows high photon absorption and photocurrent generation efficiency, as well as high bactericidal effect on Staphylococcus aureus.

    更新日期:2020-01-13
  • 2,3-Dimethylindole as Donor for Novel Thermally Activated Delayed Fluorescence Emitters
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Ming Liu; Ming Shi; Hong Meng

    A couple of indole derivatives based light-emitting molecules were synthesized and studied. They shared the same donor unit, 2,3-dimethylindole, were quite similar in emission color. In addition, they possessed almost the same lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) energy levels. However, their discrepancy in the amount of 2,3-dimethylindole donor units resulted in different energy gaps between singlet and triplet states as well as efficiency of reverse intersystem crossing (RISC) process. OLED device based on these 2,3-dimethylindole compounds displayed external quantum efficiencies of 6.3% and 16.5% with greenish blue emission, respectively.

    更新日期:2020-01-13
  • CoNi-Based Metal-Organic Frameworks Nanoarrays Supported on Carbon Cloth as Bifunctional Electrocatalysts for Efficient Water-Splitting
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Xiaojue Bai; Huan Chen; Yunong Li; Lei Shao; Junchao Ma; Linlin Li; Junyi Chen; Tieqiang Wang; Xuemin Zhang; Liying Zhang; Yu Fu; Wei Qi

    Herein, CoNi-based metal-organic frameworks nanoarrays were prepared onto the carbon cloth using a spray synthetic strategy at room temperature. The nanoarrays with large external surface area show a low overpotential of 251 mV at 10 mA cm-2 for OER, 135 mV at -10 mA cm-2 for HER, 395 mV at 10 mA cm-2 for overall water splitting, as well as high durability in alkaline conditions.

    更新日期:2020-01-10
  • The synthesis of 1,6-disubstituted pyrene-based conjugated microporous polymers for reversible adsorbing and fluorescent sensing to iodine
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Tongmou Geng; Can Zhang; Chen Hu; Min Liu; Ya-Ting Fei; Hongyu Xia

    Here we present detailed evidence of highly efficient iodine capture and sensing in 1,6-disubstituted pyrene-based fluorescent conjugated microporous polymers, which were synthesized by a Sonogashira–Hagihara polycondensation reaction (TDP), trimerization reaction of bi-cycano compound (CPP) catalyzed using trifluoromethanesulfonic acid (PCPP), and Friedel-Crafts reaction catalyzed with CH3SO3H (TTPDP and TDTPAP), respectively. TDP, PCCP, TTPDP, and TDTPAP have specific surface areas of 261.9, 43.0, 187.5, and 695.2 m2 g-1, and display reversible guest uptake of 0.61, 3.07, 3.49, 4.19 g g-1 in iodine vapor. The four CMPs exhibit high sensitivity and selectivity to iodine via fluorescence quenching. Furthermore, PCPP exhibited extremely high detection sensitivity to I2 with Ksv of 1.40×105 L mol-1 and detection limit of 3.14×10-13 mol L-1. To the best of our knowledge, it displays the highest reported Ksv value and the lowest detection limit value to iodine to date.

    更新日期:2020-01-10
  • Correction: Strong metal–support interactions between palladium nanoclusters and hematite toward enhanced acetylene dicarbonylation at low temperature
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Xuemei Wei; Zhanwei Ma; Jinzhi Lu; Xinyuan Mu; Bin Hu

    Correction for ‘Strong metal–support interactions between palladium nanoclusters and hematite toward enhanced acetylene dicarbonylation at low temperature’ by Xuemei Wei et al., New J. Chem., 2020, DOI: 10.1039/c9nj05493f.

    更新日期:2020-01-10
  • An ultra-fine few-layer MoS2 embedded on N, P co-doped bio-carbon for high performance of sodium-ion batteries
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Fenqiang Luo; Xinshu Xia; Lingxing Zeng; Xiaochuan Chen; Xiaoshan Feng; Jianbiao Wang; Lihong Xu; Qingrong Qian; Mingdeng Wei; Qinghua Chen

    A sustainable and easily method for the fabrication of ultra-fine few-layer MoS2 embedded on N, P co-doped bio-carbon is developed by using natural chlorella as adsorbent and reactor. The MoS2-N/P-C composite is easily synthesized by the biosorption of chlorella and a subsequent calcination process. This bio-carbon made from chlorella can act as a nanoreactor to prevent the MoS2 nanoparticles from reuniting during the calcination process. Besides, the N, P co-doped bio-carbon enhance the conductivity and surface wettability of this composite and accomdate the large radius of Na+. When used as an anode for sodium ion batteries, it shows significant superiority high-rate and long cycling performance, evidenced by the the capacity of 175 mAh g-1 after 2000 cycles at 5 A g-1.

    更新日期:2020-01-10
  • Design, Synthesis and Biological Activities of Pyrrole-3-carboxamide Derivatives as EZH2 (Enhancer of Zeste Homologue 2) Inhibitors and Anticancer Agents
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Qifan Zhou; Lina Jia; Fangyu Du; Xiaoyu Dong; Wanyu Sun; Lihui Wang; Guoliang Chen

    Zeste enhancer homolog 2 (EZH2) is highly expressed in various malignant tumors, which could silence tumor suppressor gene via trimethylation of H3K27. Herein was first reported a novel series of pyrrole-3-carboxamide derivatives carrying with pyridone fragment as EZH2 inhibitors. By combining computational modeling, in vitro cellular assays and further rational structure-activity relationship exploration and optimization, compound DM-01 showed powerful inhibition of EZH2. DM-01 was found to have a significant ability to reduce cellular H3K27me3 level in K562 cells in Western blot test. Meanwhile, our data showed knockdown EZH2 in A549 cells resulted in the decrease of cell sensitivity to DM-01 at 50 and 100 μM. DM-01 could also increase the transcription expression of DIRAS3 in a dose-dependent manner, a tumor suppressor in downstream of EZH2, suggesting it was worthy to investigate further as a lead compound.

    更新日期:2020-01-10
  • Facile co-precipitation synthesis of strontium tungstate anchored on boron nitride (SrWO4/BN) nanocomposite as a promising electrocatalyst for pharmaceutical drug
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Balamurugan Muthukutty; Alagumalai Krishnapandi; Shen Ming Chen

    Metal tungstate are considered as an efficient electrocatalyst in the sector of electrochemical sensor. Herein, we prepared alkaline earth metal based transition metal tungstate (SrWO4) through simple co-precipitation method. Further, to enhance the electrocatalytic activity, commercial available boron nitride (BN) was used to prepare SrWO4/BN composite with the aid of ultra-sonication method. As prepared SrWO4/BN composite were scrutinized using XRD, FTIR, FE-SEM, EDS, elemental mapping analysis, HR-TEM for the determination of phase purity, functional group, structural morphology of as prepared composite. The electrochemical performance of the SrWO4/BN composite was analyzed with the help of cyclic voltammetry and linear sweep voltammetry technique in three electrode system. As modified SrWO4/BN with glassy carbon electrode (SrWO4/BN/GCE) exhibits better electrochemical activity towards the reduction of ornidazole (OD) with lower cathodic peak potential (Epc = -0.62 V), increased cathodic current (Ipc = -21.3 µA) compared to other modified electrode for the detection of OD with larger linear range (0.01 µM – 437 µM) and lower limit of detection (0.003 µM). Further the interference study was carried out to detect hazardous metals like anionic, cationic, some of biological compounds and similar structural compounds for the examination of selectivity of as proposed sensor by SrWO4/BN/GCE reveals better selectivity. In addition, the practical feasibility of the sensor was inspected with commercial OD tablet and lake water samples, discloses the acceptable recovery of the sensor in real samples. From all the gained results, the proposed sensor via SrWO4/BN/GCE composite prepared by ultra-sonication technique evidences more appropriate candidate for the detection of OD.

    更新日期:2020-01-10
  • Bimetallic BaMoO4 Nanoparticle for C-S Cross-Coupling of Thiols with Haloarene
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Subhalaxmi Panda; Santosh Kumar Sahu; pradyota Kumar Behera; Reba Panigrahi; Bamakanta Garnaik; Laxmidhar Rout

    We disclosed a new bimetallic BaMoO4 nano particle for C-S cross-coupling reaction. C-S cross coupling reaction of alkyl/aryl thiols with haloarenes were accomplished in high yield. The reaction has good functional group tolerance and selectivity. This is an efficient protocol for synthesizing building blocks of pharmaceuticals containing C-S bonds. The catalyst is recyclable. The unactivated bromo- and 4-acetyl fluoro-arenes are well coupled to afford thioethers in high yield. The reaction is believed to proceed by oxidative addition and reductive elimination.

    更新日期:2020-01-10
  • Excellent Adsorption-Photocatalysis Synergistic Activity of 3D-3D Flower-like BiOBr/Graphene Hydrogel Composite and the Removal of PBX
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Liangliang Chang; Yongping Pu; Guodong Shen; Yongfei Cui; Xiaohong Wei; Baoyue Cao; Yan Yu; Shan Xu

    A 3D–3D flower-like bismuth bromide (BiOBr)/graphene hydrogel (BiOBr/GH) composite was synthesized via a two-step hydrothermal method. The scanning electron microscopy results confirmed that the 3D flower-like BiOBr microspheres can be successfully loaded onto 3D graphene oxide (GO) to form BiOBr/GH composites via the hydrothermal method. The photocatalytic and adsorptive properties of BiOBr/GH on potassium butyl xanthate (PBX) were systematically investigated. Results showed that 80%-BiOBr/GH possessed prior photocatalytic efficiency than other composites and BiOBr, and its PBX removal efficiency was 1.83 times higher than that of BiOBr under irradiation using a 300 W xenon lamp. The composites had excellent adsorption properties, which increased with the GH introduction. The adsorption performance of 75%-BiOBr/GH was better than that of other composites. PBX could be almost completely removed after 85 min via the synergistic effect of photocatalytic degradation and adsorption. Furthermore, the PBX removal efficiency after six cycles can still reach over 70%. The 3D structure not only facilitated the migration and separation of photogenerated carriers but also made the materials easy to recycle. This property is conducive to the treatment of pollutants in the environment.

    更新日期:2020-01-10
  • Synthesis and Antiviral Activity of Novel Myricetin Derivatives Containing a Ferulic Acid Amide Scaffolds
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    Wei Xue; Xu Tang; Cheng Zhang; Mei Chen; Yining Xue; Tingting Liu

    A variety of myricetin derivatives bearing ferulic acid amide scaffolds were designed and synthesized. The structures of all title compounds were determined by 1 H NMR, 13 C NMR, 19 F NMR and HRMS. Preliminary bioassays suggested that some of the target compounds exhibited remarkable antiviral activities. In particular, compound 4l possessed significant protective activity against tobacco mosaic virus (TMV), with an half maximal effective concentration (EC50) value of 196.11 μg/mL, which was better than commercial agent ningnamycin (447.92 μg/mL). Meanwhile, microscale thermophoresis (MST) indicated that compound 4l have strong binding capability to tobacco mosaic virus coat protein (TMV-CP) with dissociation constant (Kd) values of 0.34 μmol/L, which was better than ningnamycin (0.52 μmol/L). These results suggested that novel myricetin derivatives bearing ferulic acid amide scaffolds may be considered as an activator for antiviralagents.

    更新日期:2020-01-10
  • Low-temperature catalytic oxidation of benzene over nanocrystalline Cu-Mn composite oxides by facile sol-gel synthesis
    New J. Chem. (IF 3.069) Pub Date : 2020-01-10
    min zhang; Weiman Li; Xiaofeng Wu; Feng Zhao; Dongdong Wang; Xicuo Zha; Shuangde Li; Haidi Liu; Yunfa Chen

    A series of nanocrystalline copper-manganese oxides (denoted as Cu3-xMnx, x=0,1,1.5, 2,2.5,3, x means the molar ratio of Cu and Mn) were successfully prepared by a facile citric acid sol-gel method. By this way, the combination between Cu 2+ and Mn 3+ is intensified and enhanced interface effects generate, which is beneficial to catalytic oxidation of benzene. A series of analyses, such as X-Ray Diffraction (XRD), N2 adsorption-desorption, X-ray photoelectron spectroscopy (XPS), Hydrogen temperature programmed reduction (H 2 -TPR) were employed to further investigate the structural properties of the catalysts. An optimal Mn/Cu ratio of 2 is apt to form CuMn2O4 spinel. CuMn2 with CuMn2O4 spinel structure presents a larger specific surface area, smaller pore diameter as well as more lattice oxygen species, exhibiting a remarkable activity and stability for catalytic oxidation of benzene. On account of these factors, CuMn2 possesses a better low temperature reducibility and showed the best catalytic performance of a 90% benzene con- version at 186 ◦ C. The enhanced catalytic activity of CuMn2 is attributed to the stabilization of CuMn2O4 active phases and intensive synergistic effect between Cu-Mn oxides. To prove the effect of CuMn2O4 spinel structure on catalytic performance, CuO/Mn2O3 mixed catalyst (molar ratio 1:1) was prepared and applied in benzene oxidation (T 90% = 198 ◦ C), which indicates the spinel structure has an encouraging effect on the benzene catalysis. The catalytic properties of single copper oxide and manganese trioxide were also tested, the results show that CuMn2O4, the main active substance of CuMn2, which plays a crucial role in facilitating electronic transmission and mobility of lattice oxygen.

    更新日期:2020-01-10
  • Impact of the chemical structure on the distribution of neuroprotective N-alkyl-9H-carbazoles at octanol/water interfaces†
    New J. Chem. (IF 3.069) Pub Date : 2019-12-12
    Maryam Heydari Dokoohaki; Amin Reza Zolghadr; Axel Klein
    更新日期:2020-01-10
  • 更新日期:2020-01-10
  • Boron-doped Carbon aerogels supported Cu catalyst for selective hydrogenation of dimethyl oxalate
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Xiaodong Lu; Guofu Wang; Xiangpeng Kong; Yang Yu; Jiangang Chen

    The Carbon aerogels (CA) was applied to synthesize Cu/CA catalysts by the impregnation method and the catalysts with boron-doped CA supports were systematically characterized and evaluated in the hydrogenation of dimethyl oxalate (DMO). The Cu/xB-CA catalyst with 25wt% copper showed 100% DMO conversion and the highest ethylene glycol(EG) or methyl glycolate(MG) selectivity of 70 % at 230°C, as well a lifetime of over 150h. The characterization results disclosed the reason why the performance of catalysts could be tuned facilely by changing the amount of boron doping, which effectively influenced the interrelation between copper and CA, the acidity and alkalinity of catalysts and the Cu dispersion. Both the original carbon aerogels and that promoted with little B could provide larger surface area and high dispersion of metal. The species, size of copper particle and the ratio of Cu+/(Cu++Cu0) could be regulated by boron doping, thus adjust the type of hydrogenation products.

    更新日期:2020-01-09
  • Multivariate analysis applied to oxidation of cyclohexane and benzyl alcohol promoted by mononuclear iron and copper complexes
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Andrei Felipe Vailati; Ricardo Dagnoni Huelsmann; Edmar Martendal Dias de Souza; Adailton J Bortoluzzi; Fernando R Xavier; Rosely Peralta

    Although univariate methodologies facilitate the interpretation of the results, it may not indicate the ideal conditions for a catalytic process. Herein, we examine the catalytic activity of an iron(III) (1) and a copper(II) (2) complex under mild conditions in the oxidation of cyclohexane (Cy) and benzyl alcohol (BnOH) with hydrogen peroxide, following a Box-Behnken multivariate experimental design. To the best of our knowledge, this is the first report of the application of this tool to the homogeneous oxidation of these organic substrates. The multivariate approach allowed a range of optimal conditions to be identified for the variables studied. Complex 1 was able to convert higher amounts of the substrates studied into products when compared with 2. However, 2 presented higher selectivity toward the generation of cyclohexanol (CyOH) and benzaldehyde (BA) than 1, despite the conversion rates were lower.

    更新日期:2020-01-09
  • Synthesis of the first chiral polynuclear copper(I) complex based on (R)-1-(1-phenyl)ethyl-3-(O,O-diethylthiophosphoryl)thiourea and its characterization in the solid state and solution
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Kirill Metlushka; Dilyara Sadkova; Kristina Nikitina; Alexander V Pashagin; Mikhail Khrizanforov; Yulia H Budnikova; Vladimir Morozov; Daut Islamov; Shamil Kamil'evich Latypov; Olga Kataeva; Vladimir Alfonsov

    The reaction of (R)-1-(1-phenyl)ethyl-3-(O,O-diethylthiophosphoryl)thiourea with Cu(II) acetate is accompanied by copper reduction and leads to the formation of chiral polynuclear Cu6L6 complex. In the crystalline phase the complex consists of six Cu(I) ions alternating with sulfur atoms in the central core, with all six ligands exhibiting similar 1,5-S,S-coordination mode. This structural multinuclear arrangement is preserved in solutions, while at the same time partial disproportionation being observed with formation of complexes of lesser dimensionality. Synchronous redox processes of oxidation and reduction are observed for all six copper in the complex in the solid state. The mechanism of copper reduction with the ligand itself as a reducing agent is proposed.

    更新日期:2020-01-09
  • Synthesis and characterization of lignosulfonate/aminofunctionalized SBA-15 nanocomposite for the adsorption of methylene blue from wastewater
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Mohamed Abboud; Taher Sahlabji; Mohammad Abu Haija; Adel A. El-Zahhar; Samir Bondock; Issam Ismail; sherif keshk

    TThe synthesis, characterization, and Methylene Blue (MB) adsorption study of lignosulfonate/amino-functionalized SBA-15 new nanocomposite were described. (3-Aminopropyl)triethoxysilane (APTES) was grafted into SBA-15 to prepare amino-functionalized SBA-15 (N-SBA-15) which was used, along with calcium lignosulfonate (LS) to prepare a new nanocomposite LS/N-SBA-15. The prepared materials were characterized by SEM, TEM, FT-IR, Brunauer-Emmett-Teller, powder XRD, TGA analysis, and Raman spectroscopy. Experimental results indicated that the obtained nanocomposite possesses a high surface area (598 m2/g) and a large pore volume (1.059 cm3/g). This particular combination of LS and N-SBA-15 allowed to this material a good dispersibility and stability in water, and better wettability. The uptake of MB from aqueous solution using the LS/N-SBA-15 nanocomposite was investigated. The adsorption investigation was performed under parameters such as pH, contact time, adsorbent dosage, temperature and initial dye concentration. The results indicated that the addition of LS to N-SBA-15 enhanced the stability of the composite in water, and improved its adsorption capacity of MB, and showed the optimum conditions at 0.05 g dose and pH = 9 during a short contact time less than 10 min. LS/N-SBA-15 exhibited a high adsorption capacity compared to other adsorbents used in the literature for the removal of MB from water. The reusability of this new nanocomposite was also performed and results reported. This new nanocomposite can be efficiently employed for the removal of organic dyes from wastewater.

    更新日期:2020-01-09
  • A procalcitonin photoelectrochemical immunosensor: NCQDs and Sb2S3 co-sensitized hydrangea-shaped WO3 as matrix through layer-by-layer assembly
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Xin Liu; Chunzhu Bao; Xinrong Shao; Yong Zhang; Nuo Zhang; Xu Sun; Dawei Fan; Qin Wei; Huangxian Ju

    Using nitrogen-doped carbon quantum dots (NCQDs) and antimony trisulfide (Sb2S3) to co-sensitize the hydrangea-shaped tungsten trioxide (WO3), a novel photoelectrochemical (PEC) immunosensor was constructed to sensitively detect procalcitonin (PCT). WO3 possessed three-dimensional structure with uniform size and large surface area on the indium tin oxide (ITO) electrode. NCQDs had abundant carboxy groups and exhibited excitation-independent PEC behavior which were modified on the surface of WO3 coating to enhance photochemical activity. Hence, the hydrangea-shaped WO3/NCQDs/Sb2S3 composite was obtained by modifying NCQDs and well-crystallized Sb2S3 nanoparticles on WO3 through layer-by-layer assembly. It was worth noticing that the photoelectric signal of WO3/NCQDs/Sb2S3 was about 8 times that of pure WO3 under visible light excitation. Moreover, the PEC immunosensor showed a large-scaled response (0.001-100 ng∙mL-1) and a low detection limit (0.42 pg∙mL-1) in the best experimental conditions. This PEC immunosensor has superiority such as simple, easy to make, high sensitivity and strong stability, which has good research value in the analysis and detection of disease biomarkers.

    更新日期:2020-01-09
  • Novel composite of α-MoO3/BiVO4 for Triethylamine selective detection
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Shouli Bai; Jingyi Han; Xiangxiang Fan; Jian Guo; Ruixian Luo; Dianqing Li; Aifan Chen

    The one-dimensional α-MoO3 nanorods were synthesized by hydrothermal method and then BiVO4 nanoparticles were grown directly on α-MoO3 nanorods using a simple metal organic decomposition process to construct the α-MoO3/BiVO4 composite with heterojunction for fabrication of a rapid response sensor to triethylamine (TEA). The morphology and structure of the composite were characterized by various spectral techniques and the sensing properties of the sensor to TEA were investigated by resistance measurement. The results showed that the response of 16Mo/Bi composite to 20 ppm TEA is 1.86 times and 15 times higher that of α-MoO3 and BiVO4 at an optimum operating temperature of 125 °C, respectively. The enhancement can be ascribed to the existence of heterojunction between α-MoO3 and BiVO4, which creates an additional barrier at interface of heterojunction increasing the resistance of the composite in air and decreasing the resistance in TEA, thus enhances the response of the composite to TEA.

    更新日期:2020-01-09
  • 3-methoxyphenol chemical sensor fabrication with Ag2O/CB nanocomposites
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Mohammed M. Rahman; Md. Mahmud M. Alam; Abdullah M. Asiri; Jamal Uddin

    In this approach, low-dimensional silver oxide decorated carbon black nanocomposites (Ag2O/CB NCs) were synthesized by facile wet-chemical process at low temperature. The prepared composites were characterized by Fourier-transform infrared spectroscopy (FTIR), ultraviolet–visible spectroscopy (UV/vis.), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscope (FESEM) and X-ray powder diffraction (XRD). A thin layer of Ag2O/CB NC was deposited on the glassy carbon electrode (GCE) with conducing binder to result a working electrode of chemical sensor. The fabricated chemical sensor was used to successively in-vitro detection of 3-methoxyphenol (3-MP) by electrochemical method at lower applied potential. The sensor response towards 3-MP is linear in logarithmic scale over a large concentration range (0.09 nM to 9.0 µM). The sensor analytical parameters including good sensitivity (45.7278 µAµM-1cm-2), low detection limit (LOD=9.73±0.49 pM at a signal to noise ratio of 3), good reliability, good reproducibility, and long-term stability were examined. Therefore, the proposed chemical sensor based on Ag2O/CB NCs/binder/GCE may be a promising sensitive chemical sensor in reliable electrochemical approaches for the detection of hazardous and carcinogenic chemicals in the health care and environment sector in broad scales.

    更新日期:2020-01-09
  • Ultrafine PdAg nanoparticles immobilized on nitrogen-doped carbon/cerium oxide for superior dehydrogenation of formic acid
    New J. Chem. (IF 3.069) Pub Date : 2020-01-09
    Bing Yin; Erfa Zhao; Xianle Hua; Kai Wang; Wenqi Wang; Guicun Li; Tong Liu

    The development of safe and efficent hydrogen storage/release is critical for achievement of a fuel-cell-based hydrogen economy. In this work, the ultrafine PdAg NPs with the size of 2.5 nm were successfully immobilized on cerium oxide/nitrogen-doped carbon (CeOx-NPC). By virtue of strong metal/support interaction, the obtained PdAg/CeOx-NPC exhibits excellent catalytic property of FA decompostion at room temperature and the turnover frequency (TOF) reaches a high value of 875 h-1. The remarkable catalytic property of PdAg/CeOx-NPC result from small and high dispered PdAg NPs and synergistic effect between bimetallic system. Also, the strong metal-support interaction efficiently improve the catalytic property of bimetallic catalytic system.

    更新日期:2020-01-09
  • Aggregation-induced emission characteristics and solvent triggered hierarchical self-assembled chiral superstructures of naphthalenediimide amphiphiles†
    New J. Chem. (IF 3.069) Pub Date : 2019-12-31
    Dipak A. Shejul; Sopan M. Wagalgave; Ratan W. Jadhav; Mohammad Al Kobaisi; Duong Duc La; Lathe A. Jones; Rajesh S. Bhosale; Sidhanath V. Bhosale; Sheshanath V. Bhosale
    更新日期:2020-01-09
  • A tri-responsive and fast self-healing organogel with stretchability based on multiple dynamic covalent bonds†
    New J. Chem. (IF 3.069) Pub Date : 2019-12-27
    Shujing Ren; Huiqin Liang; Panpan Sun; Yanan Gao; Liqiang Zheng
    更新日期:2020-01-09
  • 更新日期:2020-01-09
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