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RESEARCH PAPER · ChemistryOpen · 2022

Solvent Influence on Absorption Spectra and Tautomeric Equilibria of Symmetric Azomethine‐Functionalized Derivatives: Structural Elucidation and Computational Studies

Kifah S. M. Salih

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Solvent Influence on Absorption Spectra and Tautomeric Equilibria of Symmetric Azomethine‐Functionalized Derivatives: Structural Elucidation and Computational StudiesOriginalSynthesis, structural elucidation and optical activity of symmetric Schiff base-functionalized ferrocenes: Synergetic experimental and DFT insights11New Schiff Bases with Thiophene Ring: Synthesis, Biological Activities, and Molecular Docking Study9Understanding selective sensing of human serum albumin using a D–π–A probe: a photophysical and computational approach13Ether, sulfide and sulfone derivatives of cinnamaldehyde: Insights into synthesis, structural elucidation and solvatochromism5Spectroscopic and nonlinear optical investigations of biscinnamyl-sulfone derivatives: Computational and experimental insights4Spectral, TD-DFT, and metal sensing investigations of four chromone-based compounds8Innovative UV derivative spectrophotometric method for simultaneous quantification of sulfadimethoxine and metronidazole3Rapid colorimetric recognition of tetrafluoroborate in water based on a phenol red derivative0Synthesis, characterization, and In Silico evaluation of (E)-2-((4-methylbenzyl)oxy)-N'-(thiophen-2-ylmethylene)benzohydrazide: DFT, NLO properties, pharmacokinetic analysis, and molecular docking studies for STAT3 inhibition and anticancer activity3An n‐type Polymer with High‐Performance Thermoelectric Properties by Solvent‐Mediated Oxidation12DFT and TDDFT studies on π-conjugated ligands for copper sensing: analyzing electronic structures and optical performance5Rhodamine–benzothiazole dyad: AIE-active probe with solid-state optoelectronic properties, selective sensing of 1,3-diaminopropane and hydrazine detection guided by DFT and machine learning0Azomethines with Long Alkyl Chains: Synthesis, Characterization, Biological Properties and Computational Lipophilicity Assessment2Insights into siRNA Duplex Stability by UV Spectrophotometry Absorbance and Melting Temperature Analyses2Synthesis, characterization, and in silico evaluation of novel Schiff base (E)-N'-(2-hydroxybenzylidene)-2-((4-methylbenzyl)oxy)benzohydrazide: DFT, NLO properties, molecular dynamic simulation, pharmacokinetic analysis, and molecular docking studies for the development of an antitubercular drug0An integrated experimental and computational investigation into the structural and optoelectronic behavior of new dibenzosuberenone-based azines0Unveiling the effects of tautomerism, pH, and solvation on the UV/Vis spectrum of sulfapyridine: a joint theoretical and experimental study0Spectroscopic analysis and non-linear optical features of asymmetric azines with donor-π-donor and donor-π-acceptor configurations0

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  1. Synthesis, structural elucidation and optical activity of symmetric Schiff base-functionalized ferrocenes: Synergetic experimental and DFT insights

    Journal of Molecular Structure · 2023-01-30

    Maan Omar Alejli, Abubaker Eribi, Abdulrahman Mohmmed AlAhzm, Kifah S. M. Salih

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  2. New Schiff Bases with Thiophene Ring: Synthesis, Biological Activities, and Molecular Docking Study

    Russian Journal of General Chemistry · 2023-02-01

    Fatih Çelik, K. İ. Bektaş, Halil İbrahim Güler, Şahin Direkel, Yasemin Ünver

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  3. Understanding selective sensing of human serum albumin using a D–π–A probe: a photophysical and computational approach

    Journal of Materials Chemistry B · 2024-01-01

    Anamika Bandyopadhyay, Anupam Bhattacharya

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  4. Ether, sulfide and sulfone derivatives of cinnamaldehyde: Insights into synthesis, structural elucidation and solvatochromism

    Journal of Molecular Structure · 2024-02-13

    Jawaher S. Al-Marri, Amjad M. Shraim, Kifah S. M. Salih

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  5. Spectroscopic and nonlinear optical investigations of biscinnamyl-sulfone derivatives: Computational and experimental insights

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2024-08-23

    Mohammad B.M.M. Alkhatib, Marawan T.H.A. Hussein, Mohammad A. Alfantech, Amjad M. Shraim, Kifah S. M. Salih

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  6. Spectral, TD-DFT, and metal sensing investigations of four chromone-based compounds

    Journal of Molecular Structure · 2024-12-07

    Aisha F.A.A. Al-Thani, Fatima E.A. Ba-Busail, Maryam K.S. Fadaly, Amjad M. Shraim, Kifah S. M. Salih

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  7. Innovative UV derivative spectrophotometric method for simultaneous quantification of sulfadimethoxine and metronidazole

    Journal of the Indian Chemical Society · 2025-03-06

    Larissa F. dos Santos, Lucas Rannier Melo de Andrade, Teófilo Fernando Mazon Cardoso, Karen B.B. Caminha, Débora S. Pires, Erika Pontes Machado, Patrícia B. Severino, Marcos Serrou do Amaral, Eliana B. Souto, Nájla Mohamad Kassab

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  8. Rapid colorimetric recognition of tetrafluoroborate in water based on a phenol red derivative

    Tetrahedron · 2025-05-23

    Jiabin Lu, Qi Liu, Mei-Pin Liu, Lanqin Tang, Lin Ning Sun, Xinyu Song, Ruiyu Jiang, Lei Zhang

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  9. Synthesis, characterization, and In Silico evaluation of (E)-2-((4-methylbenzyl)oxy)-N'-(thiophen-2-ylmethylene)benzohydrazide: DFT, NLO properties, pharmacokinetic analysis, and molecular docking studies for STAT3 inhibition and anticancer activity

    Journal of Molecular Structure · 2025-08-11

    Md. Sohel Rana, Mizanur Rahman, Md. Abdul Alim, Sheikh Mohammad Jubaer, Noor Mohammad Azbar Rayhan, Abu Hurayra Emad, Md. Belayet Hossain Howlader, Ryuta Miyatake, Md. Chanmiya Sheikh, Ennio Zangrando, Md. Motahar Hossain, Md. Rezaul Haque Ansary

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  10. An n‐type Polymer with High‐Performance Thermoelectric Properties by Solvent‐Mediated Oxidation

    Advanced Energy Materials · 2025-10-10

    Zhijun Chen, Yue Wen, Yu Lin Hu, Chunlin Wu, Cheng Xu, Tongwei Zhang, Qingyang Ni, Sunmi Shin, Kuan Sun, Jianyong Ouyang

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  11. DFT and TDDFT studies on π-conjugated ligands for copper sensing: analyzing electronic structures and optical performance

    Journal of Molecular Modeling · 2025-10-22

    Susheel, Abdullah Saad Alsubaie, Mukhtar Ahmed, Sumit Sahil Malhotra, Asha, Manoj Kumar Gupta, Azaj Ansari

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  12. Rhodamine–benzothiazole dyad: AIE-active probe with solid-state optoelectronic properties, selective sensing of 1,3-diaminopropane and hydrazine detection guided by DFT and machine learning

    RSC Advances · 2026-01-01

    Devi Amrita Ray, Akhilesh Kumar Singh

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  13. Azomethines with Long Alkyl Chains: Synthesis, Characterization, Biological Properties and Computational Lipophilicity Assessment

    Chemistry · 2026-02-12

    Nikita Yu. Serov, Khasan R. Khayarov, Irina V. Galkina, Marina Petrovna Shulaeva, Vyacheslav Alekseevich Grigorev, Timur Rustemovich Gimadiev

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  14. Insights into siRNA Duplex Stability by UV Spectrophotometry Absorbance and Melting Temperature Analyses

    ACS Omega · 2026-04-01

    Molly S. Blevins, Steven Chin, Natali M. Lelieur, Simeon Flier, Jenny Yingzi Wang, Amin Famili

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  15. Synthesis, characterization, and in silico evaluation of novel Schiff base (E)-N'-(2-hydroxybenzylidene)-2-((4-methylbenzyl)oxy)benzohydrazide: DFT, NLO properties, molecular dynamic simulation, pharmacokinetic analysis, and molecular docking studies for the development of an antitubercular drug

    Journal of Molecular Structure · 2026-06-14

    Sheikh Mohammad Jubaer, Md. Sohel Rana, Fawzia Fariha Shusmi, Md Fazlay Rabbi, Md. Abdul Alim, Md. Motahar Hossain, Neeraj Kumar, Sultana Shakila Khan, Md. Belayet Hossain Howlader, Ryuta Miyatake, Md. Chanmiya Sheikh, Ennio Zangrando, Md. Motahar Hossain, Md. Rezaul Haque Ansary

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  16. An integrated experimental and computational investigation into the structural and optoelectronic behavior of new dibenzosuberenone-based azines

    Journal of Molecular Structure · 2026-08-25

    Asia Al-Jabiry, Hamed K H Abushahla, Hadir M. Ibrahim, Kifah S. M. Salih

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  17. Unveiling the effects of tautomerism, pH, and solvation on the UV/Vis spectrum of sulfapyridine: a joint theoretical and experimental study

    Journal of Molecular Modeling · 2026-09-12

    José L.F. Santos, Lorena C. P. Sales, F.L. Souza, Gabriel L. C. de Souza, Adrián E. Roitberg, Roberto L. A. Haiduke

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  18. Spectroscopic analysis and non-linear optical features of asymmetric azines with donor-π-donor and donor-π-acceptor configurations

    Inorganic Chemistry Communications · 2026-09-21

    Amar A.M.M. Salih, Mohammad B.M.M. Alkhatib, Ahmed I.K. Alkubaisi, Kifah S. M. Salih

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