Journal of Molecular Structure最新文献

{"title":"Imidazole and thiazole derivatives: Synthesis, characterization, and nonlinear optical properties","authors":"Kavinkumar Ravikumar,&nbsp;Milind Shrinivas Dangate","doi":"10.1016/j.molstruc.2025.142287","DOIUrl":"10.1016/j.molstruc.2025.142287","url":null,"abstract":"<div><div>Imidazole and thiazole functionalities are crucial in designing blue-emitting materials, serving as electron-donating and electron-accepting groups. Two novel heterocyclic compounds, Benz and Phenz, were synthesized using the Radiszewski synthetic method, a metal-free approach. This design enhances hole and electron transport, carrier injection, and mobility, essential for optoelectronic applications. Highly functionalized imidazole and thiazole cores were developed through a mild condensation reaction between 4-methylthiazole derivatives and imidazole, benzimidazole, or phenanthroimidazole precursors, enabling regioselective synthesis with high yields and environmentally friendly reaction conditions. The synthesized molecules showed strong thermal stability and intense fluorescence in the 350–450 nm range, making them potential blue light-emitting applications. They also showed significant positive solvatochromic activity, indicating the influence of the solvent environment on their optical properties. Theoretical studies confirmed the experimental findings, with Benz showing a hyperpolarizability is 77.12×10⁻³⁰ esu, which is approximately 207 times greater than that of urea 0.37289×10⁻³⁰ esu.The calculated static first-order hyperpolarizability of the compound Phenz is 58.06×10⁻³⁰ esu, which is approximately 150 times greater than that of urea 0.37289×10⁻³⁰ esu. This enhancement in polarizability is due to extended conjugation, suggesting potential in non-linear optical applications and optoelectronic devices. These findings underscore the importance of rational molecular design in developing high-performance materials for emerging technologies.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1338 ","pages":"Article 142287"},"PeriodicalIF":4.0,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, optical, and electrical studies of pyrogallol-sulfonamide-hybrids: Potential p-type conductors for optoelectronic applications","authors":"M.S.A. El-Gaby ,&nbsp;E.A. Ishak ,&nbsp;A. Naguib ,&nbsp;Ahmed Mourtada Elseman","doi":"10.1016/j.molstruc.2025.142366","DOIUrl":"10.1016/j.molstruc.2025.142366","url":null,"abstract":"<div><div>The creation of effective hole transport materials (HTMs) has become essential to the growth of solar technology. In this study, two novel pyrogallol-sulfonamide hybrids, <strong>4a</strong> (<em>N<img></em>CTDB) and <strong>4b</strong> (<em>N</em>-DTDB), were successfully synthesized and comprehensively characterized through analytical and spectroscopic techniques, as well as mass spectrometry. Their optical properties, including absorption, reflectance, band gap, and photoluminescence (PL), were systematically investigated, along with their thermal stability (TGA) and electrochemical behavior <em>via</em> cyclic voltammetry (CV). Hall effect measurements confirmed their p-type conductivity, highlighting their potential for hole transport applications. The <em>N<img></em>CTDB and <em>N</em>-DTDB compounds exhibited optical band gaps of 2.00 eV and 1.91 eV, with maximum PL emissions at <span><math><mo>∼</mo></math></span>677 nm, respectively, and demonstrated thermal stability above 200 °C. These findings establish a strong foundation for the application of these materials in next-generation optoelectronic devices.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142366"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and structural characterization of a novel multi-target benzenesulfonate ligand: computational targeting of proteases, kinases, and epigenetic regulators in cancer","authors":"Oussama K. Nehar ,&nbsp;Mourad Ounissi ,&nbsp;Thierry Roisenell ,&nbsp;Samira Louhibi","doi":"10.1016/j.molstruc.2025.142294","DOIUrl":"10.1016/j.molstruc.2025.142294","url":null,"abstract":"<div><div>4-formylnaphthalen-1-yl benzenesulfonate (CMP1) has been synthesized by reacting 4-Hydroxy-1-naphthaldehyde with Benzenesulfonyl chloride in DMF, Single crystals suitable for X-ray diffraction were obtained after slow evaporation of the solvent at room temperature. The diffraction data reveals that the compound crystallizes in the triclinic system in the space group P, with no disorder, co-crystallized solvent, or twining. CrystalExplorer was used to map the Hirshfeld surface to investigate the intermolecular interactions and their nature to further understand the packing characteristics in the crystal structure. An <em>in silico</em> study was conducted to assess the binding affinity of CMP1 with six cancer-related protein targets implicated in tumor initiation and progression. Among them, CMP1-Kelch domain of KEAP1, testis-specific CMP1-Bromodomain, and TRIM24 bromodomain-CMP1 complexes exhibited remarkable conformational stability, as confirmed by molecular dynamics and metadynamics simulations. These findings suggest that CMP1 holds promise as a potential candidate for targeted cancer therapy, warranting further biological evaluation.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1338 ","pages":"Article 142294"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143821086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Indolo-quinazoline in Medicinal Chemistry as an Anticancer Agents: Current Trends and Future Opportunities","authors":"Bhagyashri Rathod ,&nbsp;Sachin Puri ,&nbsp;Vikrant Abbot ,&nbsp;Kapil Kumar","doi":"10.1016/j.molstruc.2025.142351","DOIUrl":"10.1016/j.molstruc.2025.142351","url":null,"abstract":"<div><div>Cancer is a prevalent disease globally, influenced by various factors such as lifestyle changes and genetic predisposition. Additionally, multidrug resistance (MDR) is a significant cause of chemotherapy failure in cancer treatment. To address these issues and restore normal biological functions, numerous medicinal compounds have been developed. This review focuses on tryptanthrin and its derivatives, particularly those demonstrating anti-proliferative effects. Tryptanthrin features a quinazoline scaffold fused with indole fragments, with carbonyl groups located at the sixth and twelfth positions. It acts through various pathways and enzymes, including JNK signalling, the kynurenine pathway, IDO1, TDO, and IDO2. The review also includes relevant data from studies conducted by researchers, encompassing <em>in vivo</em> and <em>in vitro</em> experiments (such as cell line studies and IC₅₀ values), as well as the structure-activity relationship of these compounds. These insights will aid in the future design and development of potent new molecules against cancer, with tryptanthrin as a core component.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142351"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis, and computational studies of novel pyrazoline-based dual EGFR/HER-2 inhibitors with apoptotic antiproliferative activity","authors":"Lamya H. Al-Wahaibi ,&nbsp;Hani Mohamed Hafez ,&nbsp;Fadwa H. Edrees ,&nbsp;Hesham A. Abou-Zied ,&nbsp;Bahaa G.M. Youssif ,&nbsp;Stefan Bräse","doi":"10.1016/j.molstruc.2025.142364","DOIUrl":"10.1016/j.molstruc.2025.142364","url":null,"abstract":"<div><div>The simultaneous targeting of EGFR and HER2 constitutes a legitimate anticancer strategy for the treatment of solid tumors. In response, we developed and synthesized a new group of pyrazoline compounds that act as dual-target inhibitors for EGFR and HER-2. The structure of the newly synthesized compounds was validated with ¹H NMR, ¹³C NMR, and elemental analysis. The novel compounds' antiproliferative efficacy was evaluated against four cancer cell lines. All compounds showed GI₅₀ values ranging from 23 to 66 nM, with the breast cancer cell line (MCF-7) showing the highest sensitivity. Compounds <strong>7c, 7d, 7f, 7h, 7j</strong>, and <strong>7l</strong> had the strongest antiproliferative activity, with derivatives <strong>7d, 7h</strong>, and <strong>7j</strong> outperforming erlotinib in all tested cancer cell lines. The study revealed that compounds <strong>7d</strong> and <strong>7h</strong> are the most effective dual-target inhibitors of EGFR and HER-2, exceeding the reference EGFR inhibitor erlotinib and having comparable action to the clinically used HER-2 medication Lapatinib. We tested the apoptotic potential of <strong>7d</strong> and <strong>7h</strong> and found that both compounds cause apoptosis by turning on caspase-3, caspase-8, and Bax and decreasing the expression of Bcl-2, a protein that prevents apoptosis. Molecular docking studies revealed robust interactions of these compounds within the EGFR and HER-2 binding pockets, supported by molecular dynamics simulations that confirmed their stability. ADME profiling highlighted the pharmacokinetic advantages of these compounds, particularly <strong>7h</strong>, as orally bioavailable and effective inhibitors. These findings suggest that pyrazoline-based inhibitors could serve as a foundation for future development of dual-targeted therapies to overcome resistance in cancer treatment.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142364"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143864833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis, in vitro, and in silico investigations of new barbituric acid-hydrazone-chalcone derivatives as promising urease inhibitors","authors":"Mehdi Asadi ,&nbsp;Mohammad Hosein Sayahi ,&nbsp;Meysam Talebi ,&nbsp;Navid Dastyafteh ,&nbsp;Maryam Esmkhani ,&nbsp;Maryam Mohammadi‐Khanaposhtani ,&nbsp;Asieh Hosseini ,&nbsp;Massoud Amanlou ,&nbsp;Homa Azizian ,&nbsp;Mohammad Mahdavi ,&nbsp;Fouzia Naz ,&nbsp;Khalid Mohammed Khan","doi":"10.1016/j.molstruc.2025.142307","DOIUrl":"10.1016/j.molstruc.2025.142307","url":null,"abstract":"<div><div>The present study focuses on the synthesis of a library of arylated hydrazones of barbituric acid, aiming to develop exceptionally potent urease inhibitors. A two-step synthesis was adopted; first, chalcone derivatives were synthesized by reacting 4-aminoacetophenone with variously substituted aldehydes under basic conditions, these derivatives were then treated with barbituric acid to afford barbituric acid hybrids <strong>5a-n</strong>. The FTIR, CHNS, ¹H NMR, and ¹³C NMR were structurally characterized. All compounds were examined for their potential against the urease enzyme and displayed remarkable results with IC₅₀ values ranging from 4.84 ± 0.62 to 13.36 ± 0.23 µM. The structure-activity relationship was also established, revealing that compound <strong>5n</strong> (IC₅₀ = 4.84 ± 0.62 µM) with -Cl and -NO₂ substitutions <em>para</em> to each other plays a major role in urease inhibition and is identified as the most potent analog of the library. Moreover, molecular docking investigations indicated the barbituric acid rings in all compounds align consistently, with the carbonyl group at C2 positioned toward the bi-nickel center atoms, resembling the orientation in AHA and thiourea. Chalcone and hydrazone subunits occupy a similar conformation near the active site's entrance. Compound <strong>5n</strong> is stabilized at the active site's bi-nickel center by the barbiturate moiety, which forms metal coordination bonds and hydrogen bonds with key residues like Asp633, His492, and Cys592. Additional interactions with His593, Arg439, and His594 contribute to its stability and influence the flexibility of the active site's mobile flap, ultimately inhibiting urease activity.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142307"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New multicomponent crystals of nevirapine with improvement on solubility: preparation, characterization, calculation and analysis","authors":"Zhenjun Liu ,&nbsp;Fuhai Yu ,&nbsp;Haomin Sun ,&nbsp;Songgu Wu ,&nbsp;Hua Rong ,&nbsp;Haibin Song ,&nbsp;Yong Zhang ,&nbsp;Wei Chen ,&nbsp;Qiuxiang Yin","doi":"10.1016/j.molstruc.2025.142363","DOIUrl":"10.1016/j.molstruc.2025.142363","url":null,"abstract":"<div><div>The poor water solubility of nevirapine (NVP) significantly restricts its bioavailability. To address this challenge, this work proposes an efficient method for screening NVP multicomponent crystals using the full interaction map (FIM) and the Conductor-like screening model for real solvents (COSMO-RS) model. Two NVP salts and two NVP cocrystals with enhanced solubility were prepared using liquid-assisted grinding method and solvent evaporation method, namely nevirapine-5-sulfosalicylate (NVP-5SA), nevirapine-2,6-dihydroxybenzoate (NVP-2,6DBA), nevirapine-2,3-dihydroxybenzoic acid cocrystal (NVP-2,3DBA) and nevirapine-2,5-dihydroxyterephthalic acid cocrystal (NVP-2,5DTA). Systematic characterization, structural analysis, solubility measurement, dissolution evaluation and theoretical calculations were conducted on these multicomponent crystals. Notably, the solubility of NVP-5SA and NVP-2,6DBA increased to 5.32 and 3.90-fold respectively compared with NVP in phosphate buffer (pH = 6.8). The structures of four multicomponent crystals were characterized using single crystal X-ray diffraction. Quantum chemical calculations, including Hirshfeld surface analysis, atoms in molecules theory, independent gradient model based on Hirshfeld partitioning, and molecular electrostatic potentials surface, were employed to study molecular interactions at the microscopic level. The lattice energy (<em>E</em>_L) and hydration-free energy (<em>E</em>_HF) of NVP and its four multicomponent crystals were calculated, and the relationships between these parameters and the changes of melting point and dissolution behavior were analyzed. So, the variations and origins of these physicochemical properties were rationalized and explained on the atomic scale. Meanwhile, the efficiency of the novel combined coformers screening method was verified.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142363"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143869161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photoluminescence investigation of Tm3+/ Dy3+ co-doped LiNa5(PO4)2 phosphors for color tunable LED applications","authors":"A.V. Bharati ,&nbsp;Dattatraya B. Bharti ,&nbsp;Ashok Bharati","doi":"10.1016/j.molstruc.2025.142368","DOIUrl":"10.1016/j.molstruc.2025.142368","url":null,"abstract":"<div><div>One of the main areas of research at the present time is the production of luminous materials. Particularly, materials based on inorganic phosphor have been widely used for many different kinds of applications, such as white light emitting diodes (WLEDs), radiation dosimetry, field emission displays (FEDs), cathode ray tubes (CRTs), and lamp industries. In this research, we successfully synthesized single-host LiNa₅(PO₄)₂: Tm³⁺/Dy³⁺ by using the solid-state reaction method to achieve white light emission. The luminescence properties of the synthesized samples were analyzed under UV light. XRD analysis confirmed the phase purity of LiNa₅(PO₄)₂. SEM images showed that the phosphor materials tend to form agglomerates. Photoluminescence (PL) measurements of LiNa₅(PO₄)₂:Dy³⁺doped phosphors demonstrated efficient excitation at 349 nm, with prominent emission bands at 487 nm (blue) and 576 nm (yellow). For LiNa₅(PO₄)₂: Tm³⁺ doped phosphors, strong orange emissions were observed at 458 nm corresponding to the ¹D₂→³H₄ transitions in Tm³⁺ ions. Co-doping with these rare earths resulted in strong blue and yellow emissions. The color qualities of the luminous prepared samples were calculated using the CIE color coordinates. Therefore, these findings result suggest that Tm³⁺/Dy³⁺ co-doped LiNa₅(PO₄)₂ phosphors, when excited by UV LEDs could be suitable for producing white light emitting diodes and display devices.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142368"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Benzimidazolone conjugated biscoumarins: Synthesis, molecular docking studies, urease, lipase, and acetylcholinesterase inhibitory activities","authors":"Okan Güven ,&nbsp;Emre Menteşe ,&nbsp;Bahar Bilgin Sökmen ,&nbsp;Mustafa Emirik ,&nbsp;Gülay Akyüz","doi":"10.1016/j.molstruc.2025.142362","DOIUrl":"10.1016/j.molstruc.2025.142362","url":null,"abstract":"<div><div>New biscoumarin molecules bridged benzimidazolone were synthesized and then screened for their urease, lipase, and acetylcholinesterase inhibition properties. In this series, the best urease inhibition value belongs to compound <strong>4f</strong> (IC₅₀: 0.05 ± 0.003 μM), the most effective lipase inhibition was shown by the compound <strong>4s</strong> (IC₅₀: 0.05 ± 0.014 μM). Although the inhibition value of all compounds against acetylcholinesterase is remarkable, compound <strong>4e</strong> showed the closest inhibition to tacrine (IC₅₀: 0.031 ± 0.013 μM) with an IC₅₀ value of 0.096 ± 0.018 μM. Molecular docking studies were performed using the Schrödinger Suite package using the IFD protocol to elucidate the interaction mode of the synthesized compounds with the binding site of urease, lipase and acetylcholine esterase enzymes. The molecular docking studies supported the in vitro inhibition results. It was shown that the compounds interacted with the important residues of the active site of the enzymes through hydrogen bonding, π–π stacking and hydrophobic interactions. 100 ns Molecular Dynamics (MD) simulations were performed on the top docking-scored complex to evaluate the stability of the ligand–protein interactions. The ADMET profiles of the most potent compounds were also evaluated to assess their pharmacokinetic and toxicity characteristics.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1338 ","pages":"Article 142362"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"One molecule, two switches: Synthesis and DFT studies of Oxalohydrazide-based photoswitches","authors":"Mazlum Turk,&nbsp;Dilek Yüksel,&nbsp;Nazan Tunoglu,&nbsp;Ayse Uzgoren-Baran","doi":"10.1016/j.molstruc.2025.142318","DOIUrl":"10.1016/j.molstruc.2025.142318","url":null,"abstract":"<div><div>In organic chemistry, compounds with hydrazone moiety have the potential for application in various fields. Many hydrazone compounds with different functional groups, which can be converted from one state or isomer to another by light or heat, are used as molecular photoswitches. The research on these intriguing functional molecules is rapidly advancing.</div><div>Herein, <em>N¹, N²-bis(-naphthalen-1-ylmethylene) oxalohydrazide</em> (<strong>2</strong>) containing the –CO–NH-N=CH– moiety as a photoswitch linker was designed and synthesized. The structures of the synthesized compound were characterized by proton nuclear magnetic resonance (1H NMR), carbon nuclear magnetic resonance (13C NMR), Mass spectrometry (MS), and the Fourier-transform infrared spectroscopy (FT-IR) spectra. Photoswitching of the obtained compound was carried out under UV–light (300–400 nm). As far as we know, this is the first study of photoswitching of oxalohydrazide compounds.</div><div>As a result of Ultraviolet-visible spectroscopy (UV–vis), 1H NMR spectra, and density functional theory calculations (DFT), it was found that compound <strong>2</strong> undergoes a characteristic E to Z photoisomerization after light irradiation. Fast <em>E/Z</em> response under UV–light illumination was observed. The thermally unstable Z isomer was found to be recovered to the E isomer by temperature, which refers to T–type photochromic switches. It is envisaged that the compound can be used as a possible photoswitch after further studies are completed.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1339 ","pages":"Article 142318"},"PeriodicalIF":4.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143869311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}