RSC Advances最新文献

{"title":"PDMS biointerfaces featuring honeycomb-like well microtextures designed for a pro-healing environment","authors":"Andreea Mariana Negrescu, Simona Nistorescu, Anca Bonciu, Laurentiu Rusen, Nicoleta Dumitrescu, Iuliana Urzica, Antoniu Moldovan, Patrick Hoffmann, Gratiela Gradisteanu Pircalaboiu, Anisoara Cimpean and Valentina Dinca","doi":"10.1039/D5RA00063G","DOIUrl":"https://doi.org/10.1039/D5RA00063G","url":null,"abstract":"<p >Even today, the reduction of complications following breast implant surgery together with the enhancement of implant integration and performance through the modulation of the foreign body response (FBR), remains a fundamental challenge in the field of plastic surgery. Therefore, tailoring the material's physical characteristics to modulate FBR can represent an effective approach in implantology. While polydimethylsiloxane (PDMS) patterning on 2D substrates is a relatively established and available procedure, micropatterning multiscaled biointerfaces on a controlled large area has been more challenging. Therefore, in the present work, a specific designed honeycomb-like well biointerface was designed and obtained by replication in PDMS at large scale and its effectiveness towards creating a pro-healing environment was investigated. The grayscale masks assisted laser-based 3D texturing method was used for creating the required moulds in Polycarbonate for large area replication. By comparison to the smooth substrate, the honeycomb topography altered the fibroblasts' behaviour in terms of adhesion and morphology and reduced the macrophages' inflammatory response. Additionally, the microstructured surface effectively inhibited macrophage fusion, significantly limiting the colonization of both Gram-positive and Gram-negative microbial strains on the tested surfaces. Overall, this study introduces an innovative approach to mitigate the <em>in vitro</em> FBR to silicone, achieved through the creation of a honeycomb-inspired topography for prosthetic interfaces.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 9952-9967"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00063g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A NiCo oxide/NiCo sulfate hollow nanowire-coated separator: a versatile strategy for polysulfide trapping and catalytic conversion in high-performance lithium-sulfur batteries†","authors":"Jiarui Liu, Xinhai Wang, Tinghong Gao, Wensheng Yang, Qinyan Jian, Bingxian Li, Lishan He and Yunjun Ruan","doi":"10.1039/D5RA00172B","DOIUrl":"https://doi.org/10.1039/D5RA00172B","url":null,"abstract":"<p >Lithium-sulfur batteries (LSBs) are highly anticipated due to their remarkable theoretical specific energy and energy density. Nevertheless, the polysulfide shuttle effect severely curtails their cycle life, posing a significant obstacle to commercialization. Herein, we introduce nickel-cobalt oxide/nickel-cobalt sulfate hollow nanowires (NCO/NCSO-HNWs) as a separator modification material. The ingeniously designed hollow nanostructure of NCO/NCSO-HNWs endows it with a profusion of adsorption and catalytic active sites. This unique feature enables it to not only physically adsorb lithium polysulfides (LiPSs) but also catalytically convert them, thereby remarkably enhancing the anchoring and conversion efficiency of LiPSs. The LSBs equipped with NCO/NCSO-HNWs-modified separators exhibit an outstanding initial capacity of 1260 mA h g<small>⁻¹</small> at 0.2C. Even after 100 cycles, a high capacity of 956 mA h g<small>⁻¹</small> is retained, corresponding to an impressive retention rate of 75.9%. Notably, at 1C, after enduring 500 cycles, the discharge capacity still stabilizes at 695 mA h g<small>⁻¹</small>. The utilization of such hollow nanowire-based separator modification materials represents a novel and effective strategy for elevating the performance of LSBs, holding substantial promise for surmounting the challenges associated with the shuttle effect and expediting the commercialization journey of LSBs.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 9875-9883"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00172b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel dual-network-structured hydrogel microspheres for efficient atmospheric water collection†","authors":"Kai Chen, Shijie Han, Shangsheng Zhang, Hongmei Du, Zhengzhi Zhang, Jian Wang, Xunkai Luo and Yulian Li","doi":"10.1039/D4RA08736D","DOIUrl":"https://doi.org/10.1039/D4RA08736D","url":null,"abstract":"<p >Atmospheric water harvesting (AWH) technology is widely regarded as a promising technology to solve the problem of fresh water shortage. Hygroscopic salt–hydrogel composites have attracted extensive attention due to their high hygroscopic salt-carrying capacity. However, their complex preparation process, salting-out and low water collection efficiency restrict their development. In this study, we prepared calcium alginate (CA) and [2-(methylpropoxy) ethyl dimethyl-(3-propyl sulfonic acid)ammonium hydroxide (PDMAPS)] double-network-structured hydrogel microspheres using a novel drip-free polymerization method. Then, a CA/PDMAPS/CNT/LiCl composite adsorbent was prepared by adding carbon nanotubes (CNTs) and LiCl. The preparation process was simple and suitable for mass production. Zwitterionic groups in the double-network structure (cationic –N<small>⁺</small>(CH<small>₃</small>)<small>₂</small><small>⁻</small> and anionic –SO<small>₃</small><small>⁻</small>) could produce electrostatic effects with Li<small>⁺</small> and Cl<small>⁻</small>, thereby binding LiCl and solving the traditional salting-out problem. A binary salt system could also be formed, which greatly enhanced water-collection capacity. At 22 °C with RH = 90%, the maximum water collection of the hydrogel microspheres was 3.586 g g<small>⁻¹</small>. Compared with single-network-structured hydrogels, the reported system exhibited an enhancement of 434% in its water collection efficiency. Under natural light, it desorbed more than 80% of the adsorbed water in 3–4 h. In summary, the dual-network-structured hydrogel microspheres represent a promising material for atmospheric water collection.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 12","pages":" 9546-9554"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08736d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, nanogel synthesis, anti-proliferative activity and in silico ADMET profile of pyrazoles and pyrimidines as topo-II inhibitors and DNA intercalators†","authors":"Ahmed K. B. Aljohani, Sanadelaslam S. A. El-Hddad, Marwa Alsulaimany, Nader A. Maghrabi, Alaa M. Alhammad, Mayar N. Aloufi, Luai F. Alahmadi, Turkiah Ali Saeedi, Yousef Yakoub Neyaz, Kurls E. Anwer, Nour E. A. Abd El-Sattar and Khaled El-Adl","doi":"10.1039/D5RA00166H","DOIUrl":"https://doi.org/10.1039/D5RA00166H","url":null,"abstract":"<p >Pyrazole derivatives <strong>2</strong> and <strong>3</strong>, pyrimidine derivative <strong>4</strong>, and their nanogels as drug delivery systems were synthesized, and their cytotoxicity against MCF-7, HCT-116, HepG2 and A549 cells was evaluated. Herein, we focused on the characterization and synthesis of chitosan/polyvinyl alcohol (Cs/PVA) nanogels loaded with derivatives <strong>2</strong>, <strong>3</strong> and <strong>4</strong>. The stability of the prepared nanogels <strong>2</strong>, <strong>3</strong> and <strong>4</strong> was elucidated by zeta potential measurements, which possessed negative values of −9.7, −1.3 and −1.6 mV, respectively. Our compounds and their nanogels were evaluated as topo-II inhibitors and DNA intercalators. The nanogel delivery system enhanced the cytotoxicity of compound <strong>2</strong> against the A549, HCT116, HepG2 and MCF-7 cancer cell lines by 32.06%, 28.96%, 44.32% and 50.00%, respectively. Moreover, the nanogel of compound <strong>3</strong> exhibited enhanced cytotoxicity against the A549, HCT116, HepG2 and MCF-7 cancer cell lines by 33.61%, 30.64%, 44.69% and 47.86%, respectively. Furthermore, the nanogel of compound <strong>4</strong> showed enhanced cytotoxicity against the A549, HCT116, HepG2 and MCF-7 cancer cell lines by 31.82%, 40.12%, 50.00% and 52.61%, respectively. Moreover, derivatives <strong>2</strong>, <strong>2 (nanogel)</strong>, <strong>3</strong>, <strong>3 (nanogel)</strong>, <strong>4</strong> and <strong>4 (nanogel)</strong> exhibited good selectivity against cancer cells and reduced toxicity to VERO cells with IC<small>₅₀</small> values in the range of 48.29–59.70 μM. Furthermore, our derivatives displayed remarkable <em>in silico</em> predicted ADMET profiles.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 10037-10048"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00166h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent progress in fluorescent chemosensors for selective aldehyde detection","authors":"Keshav Semwal and Avijit Kumar Das","doi":"10.1039/D5RA01010A","DOIUrl":"https://doi.org/10.1039/D5RA01010A","url":null,"abstract":"<p >Aldehydes (R-CHO) are volatile and chemically active compounds prevalent in the environment, industrial chemicals, food fermentation, and human metabolism. Their release into the atmosphere can lead to pollution and adverse health effects, from mild irritation to severe respiratory and immune system damage. Among aldehydes, formaldehyde (FA) and acetaldehyde (AA) are notable indoor air pollutants with stringent safety limits set by organizations like WHO and OSHA. Current detection techniques, including gas and liquid chromatography, while highly accurate, are expensive and require trained personnel. Conventional sensors, such as semiconductor and chemiresistive types, offer portability and online detection but are hindered by poor selectivity and sensitivity. Optical chemosensors, which operate based on fluorescence or colorimetric changes induced by chemical interactions, have emerged as a promising alternative due to their high sensitivity, selectivity, cost-effectiveness, and portability. This review explores the advancements in optical chemosensors for aldehyde detection, emphasizing novel molecular designs utilizing mechanisms like imine bond formation, cyclization reactions, and aza-Cope rearrangements <em>etc.</em> The applications of these sensors in environmental monitoring, biomedical analysis, and other industries are highlighted, showcasing their potential for real-time, low-concentration detection of aldehydes in diverse settings.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 10005-10021"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01010a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Acrolein production from glycerol dehydration over amorphous V–P–N–C catalysts†","authors":"Jun Liu, Xiaobing Zhao, Weichen Wang, Youjun Yan, Guofu Huang, Meng Liang, Xinzhen Feng and Weijie Ji","doi":"10.1039/D4RA08613A","DOIUrl":"https://doi.org/10.1039/D4RA08613A","url":null,"abstract":"<p >Amorphous catalysts exhibit a plethora of oxygen vacancies, electron-rich active sites, and highly dispersed active centers, thereby yielding exceptional catalytic performance for multiple reactions. In this work, a series of amorphous V–P–N–C catalysts were synthesized using complexants and employed for catalyzing the glycerol dehydration reaction towards acrolein. Under optimized reaction conditions, the glycerol conversion reached 99.1% with an acrolein selectivity of 83.2% over the amorphous catalyst VPOC<small>₆</small>. The comprehensive characterization results of Raman, XPS, H<small>₂</small>-TPR, SEM, BET, and NH<small>₃</small>-TPD, demonstrated that the addition and decomposition of 1,6-diaminohexane leads to a transition from crystalline to amorphous state while preserving the fundamental vanadium–phosphorus oxide phases. It results in an active graphite-type nitrogen structure and an abundance of oxygen vacancies, which promote the target reaction by virtue of numerous medium acid sites on the catalyst surface.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 9801-9809"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08613a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Symmetrical di-substituted phenylamino-s-triazine derivatives as anticancer agents: in vitro and in silico approach†","authors":"Em Canh Pham, Bich-Ngoc Thi Le, Anh Minh Ngo, Long Binh Vong and Tuyen Ngoc Truong","doi":"10.1039/D4RA08508F","DOIUrl":"https://doi.org/10.1039/D4RA08508F","url":null,"abstract":"<p >A series of symmetrical tri-substituted <em>s</em>-triazine derivatives were designed and synthesized by two different methods (reflux and microwave-assisted methods). The structures of compounds were determined by infrared (IR), nuclear magnetic resonance (<small>¹</small>H NMR and <small>¹³</small>C NMR), and mass spectrometry. The yield of the microwave-assisted method (91–98%) was significantly higher (about 10%) than that of the reflux method (80–88%) meanwhile the reaction time was significantly shorter (15–30 min). Compound <strong>3b</strong> showed good cytotoxic activity against the MCF7 (human breast cancer) cell line with an IC<small>₅₀</small> value of 6.19 μM. Compounds <strong>3a</strong> and <strong>2e</strong> showed strong cytotoxic activity against the C26 (colon carcinoma) cell line with IC<small>₅₀</small> values of 1.21 and 8.28 μM, respectively. Compound <strong>3e</strong> showed good cytotoxic activity against both MCF7 and C26 cell lines with IC<small>₅₀</small> values of 13.74, and 14.66 μM respectively. In particular, compound <strong>2d</strong> exhibited the best potent cytotoxic activity among the synthesized compounds against both MCF7 and C26 cell lines with IC<small>₅₀</small> values of 6.54 and 0.38 μM, respectively. Moreover, compounds <strong>2e</strong>, <strong>3a</strong>, and <strong>3e</strong> showed higher selectivity on cancer cell lines and lower toxicity on BAEC (bovine aorta endothelial) normal cells compared to compounds <strong>2d</strong>, <strong>3a</strong>, paclitaxel, and doxorubicin. <em>In silico</em> studies revealed five potent compounds with good physicochemical and ADMET profiles and potent interactions with key anticancer targets (EGFR, DHFR, VEGFR2, CDK2, mTOR, and PI3K) compared to reference drugs. This work paved the way for the synthesis of more potent compounds based on the phenylamino-<em>s</em>-triazine scaffold and the exploration of their diverse and potential biological activities as well as their mechanisms of action.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 9968-9984"},"PeriodicalIF":3.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08508f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic effects of fluorine doping on CoPS electrocatalysts for highly efficient hydrogen evolution reaction†","authors":"Zhi Dai, Bingrong Wang, Weiwei Li, Yufan Wu, Bingdong Yan and Kexi Zhang","doi":"10.1039/D4RA08760G","DOIUrl":"https://doi.org/10.1039/D4RA08760G","url":null,"abstract":"<p >Exploring earth-abundant electrocatalysts for efficient hydrogen evolution reaction (HER) is important for the development of clean and renewable hydrogen energy. Herein, we demonstrated that fluorine anion doping into CoPS significantly enhanced its hydrogen evolution reaction (HER) activity. Controlled fluorination modulated the surface electronic structure of CoPS active sites, forming an optimized F-CoPS electrocatalyst that exhibited superior performance, achieving an overpotential of only 74 mV at 10 mA cm<small>⁻²</small> and 141 mV at 50 mA cm<small>⁻²</small>, along with remarkable stability over 50 hours. This study provides a novel and feasible approach to enhance the HER performance of ternary pyrite-type transition-metal phosphosulfides.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 9756-9762"},"PeriodicalIF":3.9,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08760g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improved thermoelectric properties of α-phase Cu2Se thin films through multiphase nanostructuring","authors":"Muhammad Faizan Masoud, Sajid Butt, Muhammad Waseem Akram, Nimra Naeem, Awais Irfan, Aumber Abbas and Syed Irfan","doi":"10.1039/D5RA00370A","DOIUrl":"https://doi.org/10.1039/D5RA00370A","url":null,"abstract":"<p >Copper selenide (Cu<small>₂</small>Se) has been extensively studied due to its promising thermoelectric properties in bulk form. However, the miniaturization of thermoelectric devices using thin films is highly desired for smart applications. To date, there are few reports on composite thin films of Cu<small>₂</small>Se for thermoelectric applications, primarily due to their lower conversion efficiency. In the present work, Cu<small>₂</small>Se-based multiphase nanocomposites are presented to demonstrate enhanced conversion efficiency. The detailed structural characterization reveals that thermally evaporated Te-doped Cu<small>₂</small>Se thin films have multiphase compositions. The electrical conductivity decreases after Te-doping, due to enormous scattering of carriers against secondary phases and lattice defects. However, upon further increasing Te-doping concentration, both the electrical conductivity and Seebeck coefficient start increasing simultaneously, due to the formation of Cu<small>₂</small>Te nanoclusters and Te–Se solid solution, in the matrix of Cu<small>₂</small>Se. We emphasize the power factor, with the highest value reaching 234.0 μW mK<small>⁻²</small> at 400 K, as a key indicator of thermoelectric performance. A slightly overestimated value of dimensionless figure-of-merit (<em>ZT</em>) of 0.2 was obtained using the power factor and merely the electronic part of the thermal conductivity. The current synthesis route synergizes the effects of a multiphase system in thin film research to enhance the thermoelectric efficiency of Cu<small>₂</small>Se and related materials classes.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 9854-9863"},"PeriodicalIF":3.9,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00370a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring superior nonlinear optical properties of copper complexes with π-conjugated ligands: experimental and theoretical investigation†","authors":"Mohd Muslim, Sultan, Liyaqat Ali Kamran, Basree, Amit Kumar Pradhan, Mohammad Jane Alam, S. M. Afzal, Musheer Ahmad and Mohd Afzal","doi":"10.1039/D4RA08037H","DOIUrl":"https://doi.org/10.1039/D4RA08037H","url":null,"abstract":"<p >This study explores the nonlinear optical (NLO) properties of two synthesized copper complexes, {[Cu(dmp)<small>₂</small>(H<small>₂</small>O)]·(PA)<small>₂</small>} (complex 1) and {[Cu(dmp)<small>₂</small>]·(PA)} (complex 2), where dmp represents 2,9-dimethyl-1,10-phenanthroline (neocuproine) and PA refers to picric acid. Employing both experimental and theoretical approaches, we comprehensively analyzed their NLO properties. Experimentally, third-order NLO parameters were determined using the Z-scan technique with a 520 nm continuous-wave diode laser, yielding values of nonlinear refractive index (<em>n</em><small>₂</small>), nonlinear absorption coefficient (<em>β</em>), and third-order nonlinear optical susceptibility (<em>χ</em><small>⁽³⁾</small>) on the order of 10<small>⁻⁷</small> cm<small>²</small> W<small>⁻¹</small>, 10<small>⁻³</small> cm W<small>⁻¹</small>, and 10<small>⁻⁶</small> esu, respectively. These findings underscore their significant optical nonlinearity and suitability for intensity-dependent NLO applications, as evidenced by their high values of negative refractive index. Density Functional Theory (DFT) investigations were performed at the M062X/(6-31G(d,p)/LanL2DZ)) level to evaluate key reactivity descriptors, including polarizability, hyperpolarizability, and dipole moment, which align with the experimental results. Conceptual DFT analysis reveals that complex 1 is more stable, while complex 2 exhibits higher reactivity. The strong hyperpolarizability and remarkable third-order NLO properties of these copper complexes demonstrate their potential for advanced photonic and optoelectronic applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 6","pages":" 4657-4668"},"PeriodicalIF":3.9,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08037h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}