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  • 1
    Online Resource
    Online Resource
    Improving Functional Behavior of MCM‐41 by Encapsulating MnO 2 Nanorods towards Simultaneous Determination of Purine Bases in DNA Samples
    Wiley ; 2018
    In:  Electroanalysis Vol. 30, No. 12 ( 2018-12), p. 2959-2966
    Details
    In: Electroanalysis, Wiley, Vol. 30, No. 12 ( 2018-12), p. 2959-2966
    Abstract: MnO 2 nanorods incorporated MCM‐41 nanocomposite (MnO 2 @MCM‐41) is synthesized and employed as an electrode modifier for individual as well as simultaneous detection of purine bases, guanine (GU) and adenine (AD). For this purpose MnO 2 nanorods are encapsulated within MCM‐41 by simple one pot synthetic approach. FT‐IR, UV‐vis absorption spectroscopy, scanning electron microscopy, energy dispersive X‐ray spectroscopy, X‐ray diffraction, X‐ray photoelectron spectroscopy and electrochemical methods are employed to characterize the nanocomposite and other materials. The electrochemical attributes of glassy carbon electrode (GCE) modified with the MnO 2 @MCM‐41 (represented as GCE/MnO 2 @MCM‐41) towards the determination of GU and AD is studied in detail. Upon incorporation of MnO 2 nanorods on MCM‐41, noticeable upsurge in anodic peak current with a decline in peak potential is observed for both GU and AD oxidations in cyclic voltammetry studies. Individual as well as simultaneous determination of GU and AD are performed using differential pulse voltammetry (DPV) technique which offered a linear range of 100 nM to 100 μM for GU and AD with respective limit of detections, 44 and 66 nM. The practical applicability of the GCE/MnO 2 @MCM‐41 for real world samples analysis is satisfactorily demonstrated with certain DNA samples by DPV.
    Type of Medium: Online Resource
    ISSN: 1040-0397 , 1521-4109
    URL: Issue
    URL: Article
    DOI: 10.1002/elan.v30.12
    DOI: 10.1002/elan.201800548
    Language: English
    Publisher: Wiley
    Publication Date: 2018
    detail.hit.zdb_id: 1483564-2
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  • 2
    Online Resource
    Online Resource
    Sensitive Determination of Acetaminophen in the Presence of Dopamine and Pyridoxine Facilitated by their Extent of Interaction with Single‐walled Carbon Nanotubes
    Wiley ; 2019
    In:  Electroanalysis Vol. 31, No. 12 ( 2019-12), p. 2472-2479
    Details
    In: Electroanalysis, Wiley, Vol. 31, No. 12 ( 2019-12), p. 2472-2479
    Abstract: Single‐walled carbon nanotubes (SWCNTs) were immobilized on glassy carbon (GC) electrode by drop casting The resulting modified electrode (represented as GC/SWCNTs) efficiently oxidizes acetaminophen (AC), dopamine (DA) and pyridoxine (PY) by decreasing the respective oxidation potentials and increasing peak currents in comparison to bare GC electrode. The extent of lowering of overpotentials is in the order of AC 〉 PY 〉 DA, in agreement with the order of decrease in the HOMO‐LUMO energy gap (Δ E ) of these analytes, as determined from Density Functional Theory (DFT) calculations. DFT calculations further reveal that due to the interaction of the analytes on the SWCNT(10,10) there is a negative charge density transfer (higher probability of electron transfer, lower Δ E value) to the frontier molecular orbitals of the analytes, which eases their oxidation. Since AC, DA and PY oxidize distinctly at distinct potential values, the present SWCNTs modified electrodes could be used to simultaneously determine them. Cyclic voltammetry, differential pulse voltammetry and amperometry techniques are utilized to understand the electrochemical characteristics of the analytes (AC, DA and PY) and subsequent sensing of them at the GC/SWCNTs electrode. The electrode is then applied to the determination of AC as a case study. Sensitivity, detection limit and linear calibration range for the AC are found to be 7.9 μA μM −1  cm −2 , 1.1 μM and 2.0–100.0 μM, respectively. The increased electroactive surface area of the GC/SWCNTs increases the oxidation peak currents and hence increases the sensitivity of the determination.
    Type of Medium: Online Resource
    ISSN: 1040-0397 , 1521-4109
    URL: Issue
    URL: Article
    DOI: 10.1002/elan.v31.12
    DOI: 10.1002/elan.201900178
    Language: English
    Publisher: Wiley
    Publication Date: 2019
    detail.hit.zdb_id: 1483564-2
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  • 3
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    Online Resource
    In situ Electrochemical Synthesis of a Composite Film Containing Nickel Hexacyanoferrate and Bentonite Clay for the Sensitive Determination of Acetaminophen and Dopamine
    Wiley ; 2020
    In:  Electroanalysis Vol. 32, No. 2 ( 2020-02), p. 248-257
    Details
    In: Electroanalysis, Wiley, Vol. 32, No. 2 ( 2020-02), p. 248-257
    Abstract: A composite film of nickel hexacyanoferrate (NiHCF) and bentonite (Bt) clay (abbreviated as NiHCF−Bt) is synthesized by an in situ electrochemical method. For this synthesis, nickel ions are immobilized on Bt clay by an ion‐exchange process, equilibrating Bt clay with nickel nitrate. On a glassy carbon electrode (GCE), the nickel ion‐exchanged Bt clay (Ni 2+ −Bt) is coated to get the modified electrode which is represented as GCE/Ni 2+ −Bt. The NiHCF−Bt composite film is prepared on the GCE surface using the GCE/Ni 2+ −Bt and scanning the electrode potentials between −0.10 to 1.00 V continuously in an aqueous solution containing potassium hexacyanoferrate and potassium chloride. This NiHCF−Bt modified GCE (GCE/NiHCF−Bt) exhibits redox peaks due to the oxidation and reduction of the central metal ion, Fe 2+ . The electro‐generated Fe 3+ present in the GCE/NiHCF−Bt, electrocatalytically oxidizes a range of drugs like acetaminophen (AC), dopamine (DA), and tyrosine (TY) at decreased overpotentials with high current. This property is advantageously used for the precise quantification of AC, DA, and TY. Sensitivity, limit of detection, and linear calibration range for the determination of AC are found to be 0.20 μA μM −1  cm −2 , 1.5 μM, and 25.0–1000.0 μM, respectively. Further, the amount of AC present in pharmaceutical products is satisfactorily quantified which demonstrated the use of the NiHCF−Bt composite film in electroanalysis.
    Type of Medium: Online Resource
    ISSN: 1040-0397 , 1521-4109
    URL: Issue
    URL: Article
    DOI: 10.1002/elan.v32.2
    DOI: 10.1002/elan.201800884
    Language: English
    Publisher: Wiley
    Publication Date: 2020
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  • 4
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    Online Resource
    Ligand‐based pharmacophore modeling and docking studies on vitamin D receptor inhibitors
    Wiley ; 2020
    In:  Journal of Cellular Biochemistry Vol. 121, No. 7 ( 2020-07), p. 3570-3583
    Details
    In: Journal of Cellular Biochemistry, Wiley, Vol. 121, No. 7 ( 2020-07), p. 3570-3583
    Abstract: In recent years, pharmacophore modeling and molecular docking approaches have been extensively used to characterize the structural requirements and explore the conformational space of a ligand in the binding pocket of the selected target protein. Herein, we report a pharmacophore modeling and molecular docking of 45 compounds comprising of the indole scaffold as vitamin D receptor (VDR) inhibitors. Based on the selected best hypothesis (DRRRR.61), an atom‐based three‐dimensional quantitative structure‐activity relationships model was developed to rationalize the structural requirement of biological activity modulating components. The developed model predicted the binding affinity for the training set and test set with R 2 (training)  = 0.8869 and R 2 (test)  = 0.8139, respectively. Furthermore, molecular docking and dynamics simulation were performed to understand the underpinning of binding interaction and stability of selected VDR inhibitors in the binding pocket. In conclusion, the results presented here, in the form of functional and structural data, agreed well with the proposed pharmacophores and provide further insights into the development of novel VDR inhibitors with better activity.
    Type of Medium: Online Resource
    ISSN: 0730-2312 , 1097-4644
    URL: Issue
    URL: Article
    DOI: 10.1002/jcb.v121.7
    DOI: 10.1002/jcb.29640
    Language: English
    Publisher: Wiley
    Publication Date: 2020
    detail.hit.zdb_id: 1479976-5
    SSG: 12
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  • 5
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    Online Resource
    In silico identification of prolyl hydroxylase inhibitor by per‐residue energy decomposition‐based pharmacophore approach
    Wiley ; 2021
    In:  Journal of Cellular Biochemistry Vol. 122, No. 9 ( 2021-09), p. 1098-1112
    Details
    In: Journal of Cellular Biochemistry, Wiley, Vol. 122, No. 9 ( 2021-09), p. 1098-1112
    Abstract: Hypoxia is an effective preconditioning stimulus and many cellular responses to hypoxia are mediated through a transcription control complex termed the hypoxia‐inducible factor (HIF). The stability and activation of HIF are governed by HIF prolyl‐4‐hydroxylases 2 (PHD2). Hence, the development of a small molecule inhibitor for prolyl hydroxylase has been suggested as a potentially useful therapeutic strategy for the treatment of oxidative/ischemic stress conditions. Thus, to unveil a novel human PHD2 inhibitor, a custom‐based virtual screening was carried out to identify the potential inhibitors against PHD2 based on; (1) the per‐residue energy decomposition (PRED)‐based pharmacophore model, (2) molecular docking, and (3) MD approaches. The PRED analysis was performed to identify the common interaction pattern of HIF fragment (5L9B) and crystallized ligand (4JZR) to develop a relevant accurate allosteric pharmacophore model. The custom pharmacophore model (AAARR) was developed and further used to screen multiple databases. The docking was performed as a secondary strategy for screening the pharmacophore hits. Furthermore, the docked complexes were screened by molecular dynamics (MD) simulation and molecular mechanics/generalized Born surface area (MM–GBSA) based binding free energy calculations to determine the binding energy of the inhibitors and to identify crucial interaction energy fingerprint. One hit has demonstrated good binding free energy and a better binding affinity for PHD2 compared to the other four selected ligands. Thus, the results obtained from pharmacophore, docking, and MD simulations depicted that linker length and metal binding in the scaffold could be effectively used as a potent inhibitor toward human PHD2 in AD therapeutics.
    Type of Medium: Online Resource
    ISSN: 0730-2312 , 1097-4644
    URL: Issue
    URL: Article
    DOI: 10.1002/jcb.v122.9
    DOI: 10.1002/jcb.29933
    Language: English
    Publisher: Wiley
    Publication Date: 2021
    detail.hit.zdb_id: 1479976-5
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  • 6
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    Online Resource
    Copper Catalyzed Synthesis of 3‐Nitro‐Quinolines from Nitro‐Olefins and Anthranils: Its Application in the Synthesis of Quindoline
    Wiley ; 2022
    In:  Advanced Synthesis & Catalysis Vol. 364, No. 1 ( 2022-01-04), p. 41-46
    Details
    In: Advanced Synthesis & Catalysis, Wiley, Vol. 364, No. 1 ( 2022-01-04), p. 41-46
    Abstract: Copper‐catalyzed routes have been achieved for the synthesis of 3‐nitroquinolines from readily available nitroolefins and anthranils. This reaction proceeds via the [4+2] cycloaddition between anthranils and nitro‐styrenes under mild reaction conditions to obtain biologically important heterocycles. A wide range of diversely substituted nitro‐olefins and anthranils are successfully employed in this reaction to access a series of 3‐nitro‐quinolines in 81–93% yields. The synthetic utility of the present methodology is also illustrated in this manuscript. magnified image
    Type of Medium: Online Resource
    ISSN: 1615-4150 , 1615-4169
    URL: Issue
    URL: Article
    DOI: 10.1002/adsc.v364.1
    DOI: 10.1002/adsc.202100861
    Language: English
    Publisher: Wiley
    Publication Date: 2022
    detail.hit.zdb_id: 2041384-1
    detail.hit.zdb_id: 2033084-4
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  • 7
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    Online Resource
    Placement of virtual network functions for network services
    Wiley ; 2023
    In:  International Journal of Network Management
    Details
    In: International Journal of Network Management, Wiley
    Abstract: Network function virtualization (NFV) is a name of technology for replacing hardware‐based network functions with software programs. Virtual network function (VNF) is a software program that replaces the hardware‐based network functionality. The replacement of the hardware‐based network functions (middleboxes) with software programs promises the on‐demand provisioning of network functions and reduces capital and operational expenses of the network. Due to this replaced network can adapt to the different network functions. Network service providers deploy various network services with different objectives, such as reducing the network's active servers and traffic latency or network operational expenses. In this article, a VNF placement problem is studied to optimize the total operating costs of the networks. To solve the VNF placement problem, we proposed an integer linear program (ILP) model, which has been implemented using CPLEX. Although an ILP‐based approach gives an optimal solution, it takes a long execution time to find the solution. Due to the long execution time, the ILP‐based approach is not suitable for the real‐time VNF placement problem. To address this challenge, we proposed a heuristic based on dynamic programming that performs better than the existing approaches. The simulation results of the proposed solution using real‐world topologies show that the heuristic approach finds a feasible solution that is only 1 to 1.34 times far from the optimal one. Moreover, experimental results show that the proposed heuristic is 15 to 423 times faster than the ILP.
    Type of Medium: Online Resource
    ISSN: 1055-7148 , 1099-1190
    URL: Article
    DOI: 10.1002/nem.2232
    Language: English
    Publisher: Wiley
    Publication Date: 2023
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  • 8
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    Online Resource
    α‐Amino Acids Mediated C−C Double Bonds Cleavage in Diastereoselective Synthesis of Aza‐Spirocyclic Pyrazolones
    Wiley ; 2020
    In:  Advanced Synthesis & Catalysis Vol. 362, No. 20 ( 2020-10-21), p. 4378-4383
    Details
    In: Advanced Synthesis & Catalysis, Wiley, Vol. 362, No. 20 ( 2020-10-21), p. 4378-4383
    Abstract: An efficient and reagent‐free synthesis of highly functionalized aza‐spirocyclic pyrazolones are achieved from easily available α‐amino acids and alkylidene pyrazolones by means of amination, C−C‐double bonds cleavage, and decarboxylative annulation process. These highly diastereoselective reactions are promoted simply by α‐amino acids and involve in situ generated azomethine ylides as reactive intermediates. This newly developed protocol involves the formation of three new bonds (one C−N and two C−C ) and four new contiguous stereo‐centers including a quaternary carbon center in a single pot cascade process. magnified image
    Type of Medium: Online Resource
    ISSN: 1615-4150 , 1615-4169
    URL: Issue
    URL: Article
    DOI: 10.1002/adsc.v362.20
    DOI: 10.1002/adsc.202000884
    Language: English
    Publisher: Wiley
    Publication Date: 2020
    detail.hit.zdb_id: 2041384-1
    detail.hit.zdb_id: 2033084-4
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  • 9
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    Templated Synthesis of Nickel−Iron Layered Double Hydroxide for Enhanced Electrocatalytic Water Oxidation: Towards the Development of Non‐Precious‐Metal Catalysts
    Wiley ; 2017
    In:  ChemElectroChem Vol. 4, No. 12 ( 2017-12), p. 3134-3139
    Details
    In: ChemElectroChem, Wiley, Vol. 4, No. 12 ( 2017-12), p. 3134-3139
    Abstract: Layered double hydroxides (LDHs) have recently attracted intense research attention because of their applications in the development of highly active and cost‐effective electrocatalysts for the oxygen evolution reaction and in the fields of drug delivery, energy storage, for example. In this work, we report a cheap and simple route for the synthesis of nickel–iron LDH (Ni−Fe LDH) using an iron‐based metal−organic framework, Fe‐MIL‐88 as a template. The prepared Ni−Fe LDH is characterized by scanning electron microscopy, transmission electron microscopy, X‐ray photoelectron spectroscopy, Fourier‐transform infrared spectroscopy and X‐ray diffraction techniques. Ni−Fe LDH is found to be highly active and stable for water oxidation in alkaline solution as compared to commercial Pt/C. The concept of using a metal−organic framework as a structure‐directing agent to synthesize Ni−Fe LDH and the use of the material for the oxygen evolution reaction is explored for the first time.
    Type of Medium: Online Resource
    ISSN: 2196-0216 , 2196-0216
    URL: Issue
    URL: Article
    DOI: 10.1002/celc.v4.12
    DOI: 10.1002/celc.201700867
    Language: English
    Publisher: Wiley
    Publication Date: 2017
    detail.hit.zdb_id: 2724978-5
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  • 10
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    Drug Resistance Reversal Potential of Ursolic Acid Derivatives against Nalidixic Acid‐ and Multidrug‐resistant Escherichia coli
    Wiley ; 2015
    In:  Chemical Biology & Drug Design Vol. 86, No. 3 ( 2015-09), p. 272-283
    Details
    In: Chemical Biology & Drug Design, Wiley, Vol. 86, No. 3 ( 2015-09), p. 272-283
    Abstract: As a part of our drug discovery program, ursolic acid was chemically transformed into six semi‐synthetic derivatives, which were evaluated for their antibacterial and drug resistance reversal potential in combination with conventional antibiotic nalidixic acid against the nalidixic acid‐sensitive and nalidixic acid‐resistant strains of Escherichia coli . Although ursolic acid and its all semi‐synthetic derivatives did not show antibacterial activity of their own, but in combination, they significantly reduced the minimum inhibitory concentration of nalidixic acid up to eightfold. The 3‐ O ‐acetyl‐urs‐12‐en‐28‐isopropyl ester (UA‐4) and 3‐ O ‐acetyl‐urs‐12‐en‐28‐ n ‐butyl ester (UA‐5) derivatives of ursolic acid reduced the minimum inhibitory concentration of nalidixic acid by eightfold against nalidixic acid‐resistant and four and eightfold against nalidixic acid‐sensitive, respectively. The UA‐4 and UA‐5 were further evaluated for their synergy potential with another antibiotic tetracycline against the multidrug‐resistant clinical isolate of Escherichia coli ‐ KG 4. The results showed that both these derivatives in combination with tetracycline reduced the cell viability in concentration‐dependent manner by significantly inhibiting efflux pump. This was further supported by the in silico binding affinity of UA‐4 and UA‐5 with efflux pump proteins. These ursolic acid derivatives may find their potential use as synergistic agents in the treatment of multidrug‐resistant Gram‐negative infections.
    Type of Medium: Online Resource
    ISSN: 1747-0277 , 1747-0285
    URL: Issue
    URL: Article
    DOI: 10.1111/cbdd.2015.86.issue-3
    DOI: 10.1111/cbdd.12491
    Language: English
    Publisher: Wiley
    Publication Date: 2015
    detail.hit.zdb_id: 2216600-2
    SSG: 12
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