Inorganica Chimica Acta最新文献

{"title":"Probing the effect of isomeric -OH group in heteroleptic Copper(I)-triphenylphosphine appended dithiocarbamates on their electrocatalytic properties for homogeneous hydrogen evolution reactions","authors":"Daniel Omoding ,&nbsp;Aparna Kushwaha ,&nbsp;Shreya Srivastava ,&nbsp;Mohd. Muddassir ,&nbsp;Gabriele Kociok-Köhn ,&nbsp;Abhinav Kumar","doi":"10.1016/j.ica.2025.122802","DOIUrl":"10.1016/j.ica.2025.122802","url":null,"abstract":"<div><div>Due to increasing interest in alternative cost-effective electrocatalysts containing transition metals, three new heteroleptic triphenylphenylphosphine appended copper(I) dithiocarbamate complexes [Cu(S₂CN(CH₂C₆H₅)(CH₂C₆H₄-<em>o</em>-OH))(PPh₃)₂] (<strong>Cu-<em>o</em>-OH</strong>), [Cu(S₂CN(CH₂C₆H₅)(CH₂C₆H₄-<em>m</em>-OH))(PPh₃)₂] (<strong>Cu-<em>m</em>-OH</strong>) and [Cu(S₂CN(CH₂C₆H₅)(CH₂C₆H₄-<em>p</em>-OH))(PPh₃)₂] (<strong>Cu-<em>p</em>-OH</strong>), have been synthesized, characterized spectroscopically and by single crystal X-ray diffraction. The single crystal X-ray studies suggest that for <strong>Cu-<em>o</em>-OH</strong> and <strong>Cu-<em>m</em>-OH,</strong> copper(I) possess a distorted P₂S₂ coordinate tetrahedral geometry. The solid-state framework of <strong>Cu-<em>o</em>-OH</strong> has been found to be majorly stabilized by O-H···S intermolecular interactions, while that of <strong>Cu-<em>m</em>-OH</strong> is sustained by C-H···C and O-H···S interactions, whose nature has been assessed by Hirshfeld surface analysis. The homogeneous electrocatalytic properties of the complexes for proton reduction reveal that the <em>i</em>_cat/<em>i</em>_Pc values of complexes are greater than 28, while utilizing trifluoroacetic acid (TFA) as a proton source. In all complexes, the ratio <em>i</em>_c/<em>i</em>_wc have been found to be greater than 1, indicating that these complexes can effectively catalyze proton reduction to hydrogen in acetonitrile. Amongst all the three complexes, <strong>Cu-<em>p</em>-OH</strong> has been found to be the best electrocatalyst with low overpotential (<em>η</em>) of 0.876 V and a highest turnover frequency (TOF) of 539.60 s⁻¹ on adding 70 mM TFA. The best catalytic activity of <strong>Cu-<em>p</em>-OH</strong> has been attributed to its larger HOMO-LUMO energy gap and a more positive charge on copper(I) compared to other isomeric complexes that assists the complex to attract more electron density that could have readily enhanced its electrocatalytic performance.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122802"},"PeriodicalIF":2.7,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anion influence on the structure and cytotoxicity of Copper(II) complexes based on 2,2’-bipyridine/1,10-phenanthroline and benzimidazole derivative","authors":"Yu.A. Golubeva ,&nbsp;E.A. Ermakova ,&nbsp;K.S. Smirnova ,&nbsp;L.S. Klyushova ,&nbsp;N.P. Zaytsev ,&nbsp;N.A. Osik ,&nbsp;A.S. Berezin ,&nbsp;A.S. Potapov ,&nbsp;E.V. Lider","doi":"10.1016/j.ica.2025.122803","DOIUrl":"10.1016/j.ica.2025.122803","url":null,"abstract":"<div><div>Eight new copper(II) coordination compounds have been synthesized by the reactions of Cu(X)₂ salts (X = Cl⁻, Br⁻, NO₃⁻ or ClO₄⁻), 2,2′-bipyridine / 1,10-phenanthroline and 1-(1H-benzimidazol-1-ylmethyl)-1H-1,2,3-benzotriazole (L): [Cu(bipy/phen)LCl₂]·H₂O <strong>(1)/(5)</strong>, [Cu(bipy/phen)LBr₂]·H₂O <strong>(2)/(6)</strong>, Cu(bipy)L₂(NO₃)₂(H₂O) (<strong>3</strong>), [Cu(bipy)L₂(ClO₄)₂]·0.4C₂H₅OH (<strong>4</strong>), {[Cu(phen)L₂(NO₃)]NO₃·0.5H₂O·0.8C₂H₅OH}_n (<strong>7</strong>), [Cu(phen)L₂(MeCN)ClO₄]ClO₄ (<strong>8</strong>). The complexes were characterized by CHN, thermogravimetric and high-resolution electrospray mass spectrometric analysis, IR spectroscopy, powder and single-crystal X-ray diffraction. A crystallographic study revealed that Cu:bipy/phen:L ratio, the geometry of the complexes and their nuclearity differ depending on the selected anions. Stability of the complexes in ethanol and phosphate-buffered saline was studied by UV–Vis and EPR spectroscopy. <em>In vitro</em> cytotoxic activity was determined against three tumor cell lines (A549, Hep2, HepG2) and non-tumor lung fibroblasts MRC5. All complexes exhibit dose-dependent cytotoxicity on tumor cells with phenanthroline-based compounds <strong>5–8</strong> being 3–10 times more cytotoxic than medical drug cisplatin.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122803"},"PeriodicalIF":2.7,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144255001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, structure and chemical reactivity of pyridine-2-thione/pyrimidine-2-thione derivatives of mercury (II) and silver(I)","authors":"Yachika Teji ,&nbsp;Kashima Soni ,&nbsp;Tarlok S. Lobana ,&nbsp;Ray J. Butcher","doi":"10.1016/j.ica.2025.122798","DOIUrl":"10.1016/j.ica.2025.122798","url":null,"abstract":"<div><div>A reaction of mercury (II) iodide with pyridine-2-thione (pytH) in 1: 2 (M: L) molar ratio in a CH₃CN-MeOH mixture yielded a light brown compound, [HgI₂(κ¹S-pytH)₂] <strong>1.</strong> A similar reaction with pyrimidine-2-thione (pymtH) also formed pale yellow crystals of [HgI₂(κ¹S-pymtH)₂] <strong>2.</strong> Further, mercury(II) bromide with pytH in CH₃CN in presence of DMF yielded a de-brominated compound [Hg(κ¹S-pyt)₂] <strong>3</strong>. Compounds <strong>1</strong> and <strong>2</strong> have distorted tetrahedral geometry, while compound <strong>3</strong> has linear geometry. In case of silver, the reaction of AgBr with pytH in the presence of excess PPh₃, designed for the preparation of a mononuclear compound, [AgBr(pytH)(PPh₃)₂], rather yielded a dinuclear compound, [Ag₂Br₂(μ-S-pytH)₂(PPh₃)₂] <strong>4.</strong> Finally, AgNO₃ with pymtH and PPh₃ in a 1: 1: 2 M ratio has formed the ionic complex, [Ag(κ¹S-pymtH)(PPh₃)₂](NO₃) <strong>5,</strong> with a distorted trigonal planar cation. The presence of DMF solvent under hot experimental conditions favoured de-halogenation of mercury halides (Br, Cl), and in case of silver, the size of the anions affected the nature of the silver products.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122798"},"PeriodicalIF":2.7,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A mini review: Chalcogenated triazole schiff base ligands utilized for Hg2+ metal ion detection","authors":"Arjumand Sumayya,&nbsp;Umme Salma,&nbsp;Salman A. Khan","doi":"10.1016/j.ica.2025.122789","DOIUrl":"10.1016/j.ica.2025.122789","url":null,"abstract":"<div><div>It is a scientifically demanding task to use triazole schiff bases as fluorogenic cation sensors and fluorescent chemosensors. Triazole schiff base derivatives have recently drawn increased interest due to their structural diversity. Because of intramolecular charge transfer (ICT), donor and acceptor group joined with a delocalized π-orbital exhibit superior fluorescence effect. A slight alteration in photophysical characteristics and the usual sensing behaviour of a hypochromic/hyperchromic or hypsochromic/bathochromic shift are the results of triazole schiff bases coordinating with the metal ions. In this review, we looked into the design, synthesis, ON/OFF &amp; OFF/ON Hg²⁺ metal ion sensing mechanism, and practical application of the probes in an effort to merge the previously published triazole schiff baes-derived sensors. This review centres on the development of triazole schiff base as a fluorescent chemosensor for the study of Hg²⁺ metal ions over the course of decades. In order to further explore the topic of triazole schiff base-based sensors for metal ion detection, we hope that this review will offer a basic framework.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122789"},"PeriodicalIF":2.7,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Amendment of the biocidal linkers in the metal-organic framework (MIL-68-NH2) through post-synthetic modification to increase biological activity","authors":"F.M. Aldosari ,&nbsp;Roba M.S. Attar ,&nbsp;Mohammed A. Imam ,&nbsp;Rami Pashameah ,&nbsp;Awatif R.Z. Almotairy ,&nbsp;Aisha Hossan ,&nbsp;Ameena M. Al-Bonayan ,&nbsp;Nashwa M. El-Metwaly","doi":"10.1016/j.ica.2025.122799","DOIUrl":"10.1016/j.ica.2025.122799","url":null,"abstract":"<div><div>Conventional antibiotics are ineffective against the growing number of multidrug-resistant bacteria that are posing a high risk to public health. Although traditional nanoparticles like metal and metal oxides have potent antibacterial properties, their excessive release of metal ions into human tissues as well as bacteria might have detrimental health effects. As a result, looking for alternative material becomes essential. Metal-organic frameworks (MOFs) are gaining interest, due to they combine two distinct areas—an organic part that exhibits intense and rapid bacterial activity and an inorganic part that contains broad-spectrum antibacterial agents. Additionally, MOFs' appropriate size enables them to either break through the bacterial membrane and degrade it or enter biofilm walls and start acting as an antibacterial agent. The ions for metal release, biocidal linkers, or even biocidal compounds enclosed in MOFs may be the source of MOFs' biological activity. MOFs are attractive prospects for biological and pharmaceutical applications because of these characteristics. Organic linkers of MOFs can be altered through solid-liquid reactions without compromising the characteristics of MOFs, the post-synthetic modification (PSM) technique is suited for bio active MOF synthesis because biocidal linkers are difficult to synthesis and can damaged before MOF formation. Here, 3-(2-hydroxyphenyl)-3-oxopropanal, methyl vinyl ketone, glyoxylic acid, and phthalaldehyde were used to synthesis and post-synthetically modify the metal organic framework based on indium ions (MIL-68-NH₂), yielding MIL-68-HP, MIL-68-VK, MIL-68-GA, and MIL-68-PA in 40, 80, 87, and 92 %, respectively. The comprehensive study, involving synthesis, characterization, and detailed biological activity testing of the modified MOFs was investigated. The findings suggest that the PSM MOFs exhibit greater biological activity than commercial antibiotics against several tested microbial species. The obtained results showed the importance of MOFs used as an alternative to conventional antibiotics, and the PSM approach to tailor their properties was a valid strategy.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"586 ","pages":"Article 122799"},"PeriodicalIF":2.7,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144205244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, structural characterization, and corrosion inhibition properties of rare earth 2-hydroxyphenylacetate coordination polymers","authors":"Naveena Y. Salpadoru Thuppahige ,&nbsp;Zhifang Guo ,&nbsp;Glen B. Deacon ,&nbsp;Peter C. Junk","doi":"10.1016/j.ica.2025.122796","DOIUrl":"10.1016/j.ica.2025.122796","url":null,"abstract":"<div><div>The salt metathesis reaction between sodium 2-hydroxyphenylacetate (Na(2hpa)) and a rare earth (RE) metal nitrate or chloride in an aqueous ethanol medium has yielded a series of rare earth one-dimensional (1-D) coordination polymers [La(2hpa)₃(H₂O)₂]_n (<strong>1</strong>), {[RE₂(2hpa)₆(H₂O)₄]⋅3.5H₂O}_n (RE = Ce (<strong>2</strong>), Nd (<strong>3</strong>)), and {[RE₂(2hpa)₆(H₂O)₂]·3H₂O}_n (RE = Gd (<strong>4</strong>), Dy (<strong>5</strong>), Y (<strong>6</strong>), Er (<strong>7),</strong> Yb (<strong>8)</strong>) which have three different crystal structures. All structures were determined by single-crystal X-ray diffraction (XRD), except Y (<strong>6</strong>) and Yb (<strong>8</strong>) compounds, which were isomorphous with Gd (<strong>4</strong>), Dy (<strong>5</strong>), and Er (<strong>7</strong>) complexes by their unit cell parameters and X-ray powder diffraction (XRPD) patterns. Only the La complex (<strong>1</strong>) has a mononuclear repeating unit while the others are based on binuclear units. The chelating bridging carboxylate coordination mode is common for all complexes. In addition, complexes <strong>1</strong>–<strong>3</strong> exhibit the chelating mode with the 10-coordination number whereas complexes <strong>4</strong>–<strong>8</strong> have <em>syn</em>-syn-bridging bidentate binding with the coordination number of 9. In the weight loss anti-corrosion experiments, the {[Gd₂(2hpa)₆(H₂O)₂]·3H₂O}_n (<strong>4</strong>) compound demonstrated the highest inhibition efficiency of 57 %. A significant difference between RE 2-hydroxyphenylacetate complexes and [Ce(salH)₃(H₂O)]_n was usually not observed indicating little impact of the -CH₂- unit between carboxylate and benzene ring. The reduced corrosion inhibition efficiencies of RE 2-hydroxyphenylacetate complexes compared with RE 4-hydroxyphenylacetates confirm the positive effect of the <em>p</em>-OH group on the benzene ring on anti-corrosion properties.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122796"},"PeriodicalIF":2.7,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Two new Iron(III) bis(DMAP) Meso-arylporphyrin complexes: UV/Vis, IR, 1H NMR, EPR, and electrochemical characterization investigations, electrochemical detection of Pb2+","authors":"Siwar Salhi ,&nbsp;Fatma Besbes ,&nbsp;Taissir Fradi ,&nbsp;Mohamed Achraf Bouicha ,&nbsp;Rym Mlika ,&nbsp;Florian Molton ,&nbsp;Thierry Roisnel ,&nbsp;Frédérique Loiseau ,&nbsp;Ilona Turowska-Tyrk ,&nbsp;Valérie Marvaud ,&nbsp;Habib Nasri","doi":"10.1016/j.ica.2025.122794","DOIUrl":"10.1016/j.ica.2025.122794","url":null,"abstract":"<div><div>The synthesis and characterization of two new bis(4-dimethylaminopyridine) (DMAP) <em>meso</em>-arylporphyrin ion complexes are reported. It's about the [Fe^III(TpivPP)(DMAP)₂]⁺ (<strong>1</strong>) (TpivPP = α,α,α,α-tetrakis(<em>o</em>-pivalamidophenyl)porphyrinate) and [Fe^III(T3,5-OMePP)(DMAP)₂]⁺ (<strong>2</strong>) (T3,5-OMePP = 3,5-dimethoxyphenyl)porphyrinato) ion complexes. Both complexes <strong>1–2</strong> have been studied with ESI mass spectrometry and UV/Vis, IR, ¹H NMR and RPE spectroscopic techniques. The EPR spectra of these two bis(DMAP) ferric metalloporphyrins present normal rhombic spectra. The single crystal molecular structures of complexes <strong>1–2</strong> show that the porphyrin macrocycles of these ferric species present high <em>ruffling</em> deformation and that the planes of the two <em>trans</em> DMAP axial ligands adopt perpendicular orientation. These spectroscopic and structural results indicate that both two [Fe^III(Porph)(DMAP)₂]⁺ (Porph = TpivPP or T3,5-OMePP) exhibit the common <span><math><msup><mfenced><msub><mi>d</mi><mi>xy</mi></msub></mfenced><mn>2</mn></msup><msup><mfenced><msub><mi>d</mi><mi>xz</mi></msub><msub><mi>d</mi><mi>yz</mi></msub></mfenced><mn>3</mn></msup></math></span> electronic configuration.</div><div>In this study, two electrochemical sensors were developed using complexes <strong>1–2</strong>. Screen-printed carbon electrodes (SPCE) were functionalized with these complexes, resulting in Complex <strong>1</strong>/SPCE and Complex <strong>2</strong>/SPCE systems, employed for electrochemical detection of Pb²⁺ ion using differential pulse voltammetry (DPV). Electrochemical properties were investigated by means of EIS (Electrochemical impedance spectroscopy) and CV (Cyclic Voltammetry) studies.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122794"},"PeriodicalIF":2.7,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical and experimental mechanistic insights of CO release by water soluble Re(I) photoCORMs","authors":"Vitor C. Weiss ,&nbsp;Giliandro Farias ,&nbsp;Suélen M. Amorim ,&nbsp;André L. Amorim ,&nbsp;Daniele C. Durigon ,&nbsp;Fernando R. Xavier ,&nbsp;Regina de F.P.M. Moreira ,&nbsp;Adailton J. Bortoluzzi ,&nbsp;Rosely A. Peralta","doi":"10.1016/j.ica.2025.122788","DOIUrl":"10.1016/j.ica.2025.122788","url":null,"abstract":"<div><div>The use of photoCORMs to release carbon monoxide in a specific biological target has been widely studied because their therapeutic properties. This work presents the synthesis and photochemical and mechanistic insight of the CO photorelease of three water-soluble Re(I) photoCORMs: [Re(aaz)(CO)₃]Cl (<strong>1</strong>), [Re(Me₂aaz)(CO)₃]Cl (<strong>2</strong>), and [Re(tacn)(CO)₃]Cl (<strong>3</strong>) (aaz = 6-amino-6-methylperhydro-1,4-diazepine; Me₂aaz = 6-amino-1,4,6-trimethyl-1,4-diazacycloheptane; and tacn = 1,4,7-triazacyclononane). All compounds presented photo-triggered carbon monoxide release when exposed to UV light (λ₂₅₄ = 254 ± 10 nm), affording bis and monocarbonyl intermediates identified via spectroscopic, electrochemical, and mass techniques. The quantum yields and rates of CO release were determined where its release mechanism probably involves a three-step mechanistic pathway. Despite recent studies, the mechanism of CO release associated with Re(I) photoCORMs and spin-orbit coupling has not been explored in-depth, and it could be a critical factor in developing new and more efficient photoCORMs.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122788"},"PeriodicalIF":2.7,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Designing smart tunable molecular logic systems: A unified approach on unimolecular platform of anthraimidazolidione","authors":"Monaj Karar ,&nbsp;Animesh Pal ,&nbsp;Nilanjan Dey","doi":"10.1016/j.ica.2025.122797","DOIUrl":"10.1016/j.ica.2025.122797","url":null,"abstract":"<div><div>An exclusive approach of building compliant molecular logic circuits on a unimolecular platform of anthraimidazoldione derivative is presented herein. We have used a charge-transfer-based chromogenic probe with imidazole and bispicolyl functionalities to do this, which allows for selective interaction with Hg²⁺ and Cu²⁺ ions in both organic and aqueous conditions. With clear hypochromic and bathochromic alterations in UV–visible absorption and fluorescence turn-on/off responses upon metal ion binding, the probe demonstrated dual-mode detection. Notably, the reusability of the probe was emphasized by the reversible nature of Cu²⁺ binding in the presence of CN⁻. To achieve the intended molecular integrated circuits, a number of MICs (Molecular Integrated Circuits) made up of adjustable individual binary trivial (NOR, OR, AND, etc.) and non-trivial (INHIBIT, TRANSFER, COMPLEMENT, etc.) logic gates were designed by analyzing those case-specific opto-chemical responses. Also, we have attempted to construct a solvent polarity tunable molecular logic system with a same set of chemical stimuli.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122797"},"PeriodicalIF":2.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Zn(II), Ni(II), and Cd(II) complexes via in situ one-pot method: Probing biomolecular interactions with DNA and antibacterial potentials","authors":"Ansa Santu,&nbsp;E. Manoj","doi":"10.1016/j.ica.2025.122795","DOIUrl":"10.1016/j.ica.2025.122795","url":null,"abstract":"<div><div>Three new complexes of Zn (II), Ni (II) and Cd (II): [Zn(L)(NO₃)(H₂O)](NO₃) (<strong>1</strong>) [Ni(L)(NO₃)(H₂O)](NO₃) (<strong>2</strong>) and [Cd(L)(NO₃)₂] (<strong>3</strong>) [where L = <em>N</em>,<em>N</em>′-bis((pyridine-2-yl)phenylidene)-1,3-diaminopropan-2-ol] were synthesized and characterized using elemental analysis, FT-IR, UV–vis spectroscopy, SEM-EDX and mass spectrometry. The structures of the complexes were further confirmed by single-crystal X-ray diffraction (SCXRD), which reveal that complexes <strong>1</strong> and <strong>2</strong> are isostructural, with central metal ions adopting hexacoordinate distorted octahedral geometry, whereas complex <strong>3</strong> exhibits a distorted tetragonal antiprism geometry. Hirshfeld surface (HS) analysis was conducted to further investigate their molecular interactions. Additionally, DFT calculations were carried out to gain insights into the structure-activity relationships of the complexes. The oxidative assay using DPPH (α,α-diphenyl-β-picrylhydrazyl) was employed to evaluate the antioxidant properties of the complexes. The complexes exhibited reasonable antioxidant activity, with ascorbic acid (AA) used as the standard. Detailed interaction studies with calf thymus DNA were conducted using various spectroscopic techniques, including UV–vis absorption, emission, and viscosity measurements. The results demonstrated a strong binding tendency, with binding constants ranging 2.7 × 10⁵ M⁻¹ and 9.1 × 10⁵ M⁻¹ for complexes <strong>1</strong> and <strong>2</strong> respectively. Theoretical approaches further support the findings, indicating that the complexes exhibit a strong binding capability with the DNA. <em>In vitro</em> antibacterial activity of the complexes was evaluated against the Gram-positive bacteria <em>Staphylococcus aureus</em> (<em>S. aureus</em>) and the Gram-negative bacteria <em>Escherichia coli</em> (<em>E. coli</em>). The results reveal significant antibacterial efficacy of <strong>3</strong> against both bacterial strains, surpassing the activity of the standard streptomycin. Minimal inhibitory concentration (MIC) of the complexes against bacterial strains were also determined. The antibacterial properties of the complexes were further explored through molecular docking studies. Both the pharmacological and computational analyses suggest that the complexes possess promising medicinal potential.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122795"},"PeriodicalIF":2.7,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}