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  1. Article ; Online: Deep blue emitting dual state fluorescent triphenylamine-dicyclohexylurea derivative: Multi-stimuli responsive fluorescence switching and methanol/water sensing.

    Ravi, Sasikala / Karthikeyan, Subramanian / Pannipara, Mehboobali / Al-Sehemi, Abdullah G / Moon, Dohyun / Anthony, Savarimuthu Philip

    Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

    2024  Volume 315, Page(s) 124303

    Abstract: A new deep blue emissive organic fluorophore (N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(diphenylamino)benzamide (NCDPB)) was designed and synthesized, which showed strong fluorescence both in solution and solid-state. Solid-state structural analysis of ... ...

    Abstract A new deep blue emissive organic fluorophore (N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(diphenylamino)benzamide (NCDPB)) was designed and synthesized, which showed strong fluorescence both in solution and solid-state. Solid-state structural analysis of NCDPB revealed non-planar twisted molecular conformation with extended hydrogen bonding between the amide functionalities. The propeller shaped triphenylamine (TPA) and non-planar cyclohexyl unit prevented close π…π stacking and produced strong deep blue emission in the solid state (λ
    Language English
    Publishing date 2024-04-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 210413-1
    ISSN 1873-3557 ; 0370-8322 ; 0584-8539 ; 1386-1425
    ISSN (online) 1873-3557
    ISSN 0370-8322 ; 0584-8539 ; 1386-1425
    DOI 10.1016/j.saa.2024.124303
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

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  2. Article: Investigating the potential of organic semiconductor materials by DFT and TD-DFT calculations on aNDTs.

    Jothi, B / Stephen, A David / Selvaraju, K / Al-Sehemi, Abdullah G

    Heliyon

    2023  Volume 9, Issue 6, Page(s) e16740

    Abstract: The effects of substituting electron withdrawing and electron donating functional groups on the electronic and optical properties of angular naphthodithiophene (aNDT) were studied. Substitutions were made to the aNDT molecule at position 2 and 7, ... ...

    Abstract The effects of substituting electron withdrawing and electron donating functional groups on the electronic and optical properties of angular naphthodithiophene (aNDT) were studied. Substitutions were made to the aNDT molecule at position 2 and 7, respectively. The computed ionization parameters and reorganisation energies distinguished between the p-type and n-type semiconducting natures of the unsubstituted aNDT molecule and those with the -C
    Language English
    Publishing date 2023-05-26
    Publishing country England
    Document type Journal Article
    ZDB-ID 2835763-2
    ISSN 2405-8440
    ISSN 2405-8440
    DOI 10.1016/j.heliyon.2023.e16740
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  3. Article ; Online: Designing of thiazolidinones against chicken pox, monkey pox, and hepatitis viruses: A computational approach.

    Raza, Muhammad Asam / Farwa, Umme / Ishaque, Fatima / Al-Sehemi, Abdullah G

    Computational biology and chemistry

    2023  Volume 103, Page(s) 107827

    Abstract: Computational designing of four different series (D-G) of thiazolidinone was done starting ...

    Abstract Computational designing of four different series (D-G) of thiazolidinone was done starting from different amines which was further condensed with various aldehydes. These underwent in silico molecular investigations for density functional theory (DFT), molecular docking, and absorption, distribution metabolism, excretion, and toxicity (ADMET) studies. The different electrochemical parameters of the compounds are predicted using quantum mechanical modeling approach with Gaussian. The docking software was used to dock the compounds against choosing PDB file for chickenpox, human immunodeficiency, hepatitis, and monkeypox virus as 1OSN, 1VZV, 6VLK, 1RTD, 3I7H, 3TYV, 4JU3, and 4QWO, respectively. The molecular interactions were visualized with discovery studio and maximum binding affinity was observed with D8 compounds against 4QWO (-13.383 kcal/mol) while for compound D5 against 1VZV which was -12.713 kcal/mol. Swiss ADME web tool was used to assess the drug-likeness of the designed compounds under consideration, and it is concluded that these molecules had a drug-like structure with almost zero violations.
    MeSH term(s) Humans ; Molecular Docking Simulation ; Chickenpox ; Mpox (monkeypox) ; Software ; Hepatitis Viruses
    Language English
    Publishing date 2023-02-12
    Publishing country England
    Document type Journal Article
    ISSN 1476-928X
    ISSN (online) 1476-928X
    DOI 10.1016/j.compbiolchem.2023.107827
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  4. Article: Tuning the Electronic and Charge Transport Properties of Schiff Base Compounds by Electron Donor and/or Acceptor Groups.

    Irfan, Ahmad / Al-Sehemi, Abdullah G / Kalam, Abul

    Materials (Basel, Switzerland)

    2022  Volume 15, Issue 23

    Abstract: Organic semiconductors have gained substantial interest as active materials in electronic devices due to their advantages over conventional semiconductors. We first designed four Schiff base compounds, then the effect of electron donor/acceptor groups ( ... ...

    Abstract Organic semiconductors have gained substantial interest as active materials in electronic devices due to their advantages over conventional semiconductors. We first designed four Schiff base compounds, then the effect of electron donor/acceptor groups (methyl/nitro) was studied on the compounds' electronic and transport nature. The absorption spectra (λ
    Language English
    Publishing date 2022-12-02
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma15238590
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  5. Article ; Online: Evaluation of selected tropical marine microalgal cultures for use in biophotovoltaic platforms.

    Tay, Zoe Hui-Yee / Ng, Fong-Lee / Thong, Cheng-Han / Lee, Choon-Weng / Gnana Kumar, G / Al-Sehemi, Abdullah G / Phang, Siew-Moi

    Applied microbiology and biotechnology

    2024  Volume 108, Issue 1, Page(s) 71

    Abstract: In this study, the bioelectrical power generation potential of four tropical marine microalgal strains native to Malaysia was investigated using BPV platforms. Chlorella UMACC 258 produced the highest power density (0.108 mW ... ...

    Abstract In this study, the bioelectrical power generation potential of four tropical marine microalgal strains native to Malaysia was investigated using BPV platforms. Chlorella UMACC 258 produced the highest power density (0.108 mW m
    MeSH term(s) Chlorella ; Aquaculture ; Biofilms ; Carbon ; Cell Cycle ; Microalgae
    Chemical Substances Carbon (7440-44-0)
    Language English
    Publishing date 2024-01-09
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 392453-1
    ISSN 1432-0614 ; 0171-1741 ; 0175-7598
    ISSN (online) 1432-0614
    ISSN 0171-1741 ; 0175-7598
    DOI 10.1007/s00253-023-12951-0
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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2229: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
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  6. Article: Emerging variants of concern in Saudi Arabian SARS-CoV-2 isolates.

    Al-Sehemi, Abdullah G / Khan, Muhammad T / Muhammad, Shabbir

    Saudi medical journal

    2021  Volume 42, Issue 12, Page(s) 1366–1368

    Language English
    Publishing date 2021-12-01
    Publishing country Saudi Arabia
    Document type Journal Article
    ZDB-ID 392302-2
    ISSN 1658-3175 ; 0379-5284
    ISSN (online) 1658-3175
    ISSN 0379-5284
    DOI 10.15537/smj.2021.42.12.20210630
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    In stock of ZB MED Cologne/Königswinter

    Zs.B 2330: Show issues Location:
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    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)
    Zs.MB 6: Show issues

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  7. Article ; Online: Investigation of the Effect of Substituents on Electronic and Charge Transport Properties of Benzothiazole Derivatives.

    Irfan, Ahmad / Kalam, Abul / Al-Sehemi, Abdullah G / Dubey, Mrigendra

    Molecules (Basel, Switzerland)

    2022  Volume 27, Issue 24

    Abstract: A series of new benzothiazole-derived donor-acceptor-based compounds ( ...

    Abstract A series of new benzothiazole-derived donor-acceptor-based compounds (
    Language English
    Publishing date 2022-12-08
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules27248672
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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  8. Article ; Online: F and rare V

    Muthukumar, Pandi / Nantheeswaran, Periyappan / Mariappan, Mariappan / Pannipara, Mehboobali / Al-Sehemi, Abdullah G / Anthony, Savarimuthu Philip

    Dalton transactions (Cambridge, England : 2003)

    2023  Volume 52, Issue 14, Page(s) 4606–4615

    Abstract: Highly efficient and stable Earth abundant transition metal electrocatalysts are in great demand for the oxygen evolution reaction (OER), a bottleneck process involved in the water splitting reaction and metal-air batteries. Herein, we have demonstrated ... ...

    Abstract Highly efficient and stable Earth abundant transition metal electrocatalysts are in great demand for the oxygen evolution reaction (OER), a bottleneck process involved in the water splitting reaction and metal-air batteries. Herein, we have demonstrated a single step direct fabrication of cobalt hydroxide (Co(OH)
    Language English
    Publishing date 2023-04-04
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d3dt00547j
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  9. Article ; Online: Enhancing the oxygen evolution reaction of cobalt hydroxide by fabricating nanocomposites with fluorine-doped graphene oxide.

    Muthukumar, Pandi / Nantheeswaran, Periyappan / Mariappan, Mariappan / Pannipara, Mehboobali / Al-Sehemi, Abdullah G / Anthony, Savarimuthu Philip

    Dalton transactions (Cambridge, England : 2003)

    2023  Volume 52, Issue 12, Page(s) 3877–3883

    Abstract: Fluorine and nitrogen codoped cobalt hydroxide-graphene oxide nanocomposites (N,F-Co(OH) ...

    Abstract Fluorine and nitrogen codoped cobalt hydroxide-graphene oxide nanocomposites (N,F-Co(OH)
    Language English
    Publishing date 2023-03-21
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d2dt04169c
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Highly enhanced electrocatalytic OER activity of water-coordinated copper complexes: effect of lattice water and bridging ligand.

    Muthukumar, Pandi / Arunkumar, Gunasekaran / Pannipara, Mehboobali / Al-Sehemi, Abdullah G / Moon, Dohyun / Anthony, Savarimuthu Philip

    RSC advances

    2023  Volume 13, Issue 18, Page(s) 12065–12071

    Abstract: The use of metal-organic compounds as electrocatalysts for water splitting reactions has gained increased attention; however, a fundamental understanding of the structural requirement for effective catalytic activity is still limited. Herein, we ... ...

    Abstract The use of metal-organic compounds as electrocatalysts for water splitting reactions has gained increased attention; however, a fundamental understanding of the structural requirement for effective catalytic activity is still limited. Herein, we synthesized water-coordinated mono and bimetallic copper complexes (CuPz-H
    Language English
    Publishing date 2023-04-18
    Publishing country England
    Document type Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/d3ra01186k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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