Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献

{"title":"Selective detection of streptomycin using a molecularly imprinted fluorescence sensor based on mangosteen peel-derived nitrogen-doped carbon quantum dots","authors":"Bach Pham ,&nbsp;Dong Duong Tran ,&nbsp;Thi Phuong Anh Nguyen ,&nbsp;Quang Khanh Nguyen ,&nbsp;Thi Dieu Thuy Ung ,&nbsp;Ngoc Bich Tran ,&nbsp;Duy Tung Vu ,&nbsp;Thi Kim Thuong Nguyen ,&nbsp;Thi Anh Huong Nguyen ,&nbsp;Thi Ngoc Mai Pham","doi":"10.1016/j.saa.2025.126622","DOIUrl":"10.1016/j.saa.2025.126622","url":null,"abstract":"<div><div>Streptomycin, a broad-spectrum aminoglycoside antibiotic, is widely used in both human and veterinary medicine. Its overuse and environmental accumulation pose serious health risks, underscoring the need for sensitive and selective detection methods. In this study, we developed a molecularly imprinted fluorescence sensor (MIP-FS) by integrating nitrogen-doped carbon quantum dots (N-CQDs) with molecularly imprinted polymers (MIPs) for the selective detection of streptomycin. The N-CQDs were synthesized via a green microwave-assisted method using mangosteen peel as a sustainable and low-cost carbon source, representing an alternative biomass-based route for nanomaterial production. The resulting N-CQDs@MIPs displayed excellent fluorescence properties, high photostability, and strong selectivity for streptomycin through a fluorescence enhancement mechanism. Under optimized conditions, the sensor achieved a low detection limit of 3.2 nM (1.8 ppb) and a wide linear range from 0.01 to 8.00 μM. It also exhibited high selectivity against structurally similar antibiotics and common interfering ions. The method was successfully applied to pharmaceutical and environmental water samples, yielding results consistent with LC-MS/MS. These findings highlight the potential of the developed sensor as a rapid, sensitive, and eco-friendly tool for streptomycin detection in complex matrices.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126622"},"PeriodicalIF":4.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535741","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":"Modulating exciton transfer pathways via oxidation and n-π* transitions for efficient room-temperature phosphorescence","authors":"Huanling Liu ,&nbsp;Yan Wang ,&nbsp;Songsong Liu ,&nbsp;Lili Lin ,&nbsp;Yuzhi Song ,&nbsp;Chuan-Kui Wang ,&nbsp;Zhen Xie ,&nbsp;Jianzhong Fan","doi":"10.1016/j.saa.2025.126625","DOIUrl":"10.1016/j.saa.2025.126625","url":null,"abstract":"<div><div>Organic room-temperature phosphorescence (RTP) materials hold promising applications in the field of display technologies and information encryption. Achieving efficient RTP emission relies on precisely regulating excited-state properties and luminescence pathways. In this study, three experimentally reported donor-acceptor molecules are selected, and the effects of oxidation on their photophysical properties are systematically investigated by first-principles calculations. The results show that oxidation of the donor units effectively modulates intramolecular charge transfer characteristics and the excited state energy levels, thereby influencing the reverse intersystem crossing (RISC) and exciton transfer processes, related thermally activated delayed fluorescence (TADF) and RTP emission mechanisms are revealed. Among the studied molecules, the fully oxidized molecule DOPTZ-CO exhibits the most favorable RTP performance. Using DOPTZ as the oxidized donor, three molecules featuring pronounced n-π* transition characteristics are further designed, and a novel strategy is proposed to regulate emission pathways by incorporating non-bonding (n) orbitals. The introduction of n-π* transition is found to play a dual role: it enhances spin-orbit coupling (SOC) effect, facilitating radiative T₁-S₀ transitions and it also increases the S₁-T₁ energy gap (ΔE_ST), thereby suppressing RISC process and favoring RTP-dominated emission. Thus, molecules with moderate ΔE_ST values (approximately 0.4 eV) and strong n-π* character demonstrate efficient and controllable RTP behavior. Overall, this study underscores the critical role of excited-state modulation and orbital engineering in tuning emission pathways and provides a theoretical foundation for the rational design of high-performance organic RTP materials.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126625"},"PeriodicalIF":4.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535743","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":"Methyl-free meso-thiazole-substituted red-shifted BODIPY-based molecular rotor for fluorescence imaging viscosity in mitochondria","authors":"Ri-Hui Deng ,&nbsp;Ting Fan ,&nbsp;Wen-Jing Shi ,&nbsp;Yingmei Cao ,&nbsp;Yue Xie ,&nbsp;He Cai ,&nbsp;Zi-Jian Huo ,&nbsp;Jin-wu Yan ,&nbsp;Li Niu","doi":"10.1016/j.saa.2025.126626","DOIUrl":"10.1016/j.saa.2025.126626","url":null,"abstract":"<div><div>Molecular fluorescent rotors based on boron dipyrromethenes (BODIPYs) were intensively explored for monitoring the environmental viscosity variations, due to its critical functions in many associated diseases. Although various strategies have been used, red-shifted BODIPY-based fluorescent rotors with large Stokes shifts through one-step reaction remain a challenging topic due to the tedious synthetic procedures. In this manuscript, for the first time, through one-step reaction, 1,7-dimethyl-free <em>meso</em>-thiazole/benzothiazole BODIPYs were used to construct red-shifted fluorescent rotors with large Stokes shifts, which could be used for monitoring cellular viscosity changes with mitochondrial localization. This strategy-designed 1,7-dimethyl-free <em>meso</em>-thiazole/benzothiazole BODIPYs could be prepared through one-step reaction, giving emissions over 600 nm and large Stokes shifts of about 70 nm. Both <em>meso</em>-thiazole probe <strong>3</strong> and <em>meso</em>-benzothiazole probe <strong>5</strong> could sense the viscosity changes through fluorescence turn-on effects with low detection limits, depending on efficiently restricting the rotation of the <em>meso</em>-thiazole in viscous systems. Cellular experiments further validated that probe <strong>3</strong> showed nearly no cytotoxicity towards HeLa cell and relatively good mitochondria-targeting ability over lysosomes, which was further employed to detect intracellular viscosity variations induced by lipopolysaccharide (LPS) and monensin. Therefore, red-shifted 1,7-dimethyl-free <em>meso</em>-thiazole BODPY-based fluorescent probe through one-step reaction could serve as sensitive molecular rotors for visualizing viscosity variations in mitochondria of HeLa cells.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126626"},"PeriodicalIF":4.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549458","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":"Eco-friendly synthesis of a silver nanohybrid with carbon dots derived from Quebracho Colorado leaves and its application in the colorimetric detection of Al3+","authors":"Martín F. Montenegro ,&nbsp;Jesús M.N. Morales ,&nbsp;Faustino E. Morán Vieyra ,&nbsp;Claudio D. Borsarelli","doi":"10.1016/j.saa.2025.126628","DOIUrl":"10.1016/j.saa.2025.126628","url":null,"abstract":"<div><div>The <em>Schinopsis lorentzii</em> tree leaves were utilized for the first time in the production of carbon dots (CDs) with a diameter of 6 nm through hydrothermal carbonization at 200 °C. The heating of AgNO₃ aqueous solutions up to 70 °C in the presence of CDs results in the formation of silver nanohybrids (AgNP@CDs), with a zeta potential of −48 mV, a diameter of 33 nm, and a surface plasmon resonance (SPR) absorption band centered at 440 nm<strong>.</strong> Among the various cations examined, only the incorporation of Al³⁺ in the AgNP@CDs solution induced a color shift from yellow to brown, leading to the formation of colloidal aggregates with an approximate diameter of 550 nm. The formation of AgNP@CDs nanohybrids and aggregates in the absence and presence of Al³⁺, respectively, was modeled by combining UV–vis absorption spectra with multivariate curve resolution-alternating least squares (MCR-ALS) analysis. For the AgNP@CDs, a sequential nucleation-aggregation mechanism was observed, with a global activation energy of 28 kJ/mol. In the presence of Al³⁺, a four-species sequential mechanism describes the progressive formation of larger aggregates, with dose-response curves that are characteristic of highly cooperative binding equilibriums with an average global binding constant of 7 × 10⁴ M⁻¹. The analytical performance of the AgNP@CDs resulted in a sensitivity of 0.03 μM, a linear range between 10 and 20 μM, and a limit of detection of 3.5 μM. These parameters are consistent with those previously reported for the colorimetric determination of Al³⁺ using AgNPs capped with different molecules.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126628"},"PeriodicalIF":4.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549526","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":"A novel supramolecular zinc porphyrin thin film coated fiber optic Mach − Zehnder interferometer for trace detection of ammonia gas","authors":"Shuifeng Wang ,&nbsp;Xinyue Huang ,&nbsp;Ziyang Zhang ,&nbsp;Xuemei Zhang ,&nbsp;Qian Zhang ,&nbsp;Jingang Xie ,&nbsp;Wenlin Feng ,&nbsp;Wei Wu ,&nbsp;Xiaofeng Lei","doi":"10.1016/j.saa.2025.126575","DOIUrl":"10.1016/j.saa.2025.126575","url":null,"abstract":"<div><div>A novel fiber-optic ammonia Mach-Zehnder interferometer (MZI) with an asymmetric-sensing structure was developed and experimentally validated. The sensor was fabricated through successive fusion splicing of single-mode fiber (SMF), coreless fiber (NCF), SMF, thin-core fiber (TCF), and SMF, thereby forming an SMF-NCF-SMF-TCF-SMF interferometric structure. Experimental and simulation results demonstrated that the sensor exhibited a linear response within the refractive index range of 1.3320–1.3636. Using the layer-by-layer (LbL) self-assembly technique, ultrathin two-dimensional (2D) self-assembled tetrakis(4-carboxyphenyl) zinc porphyrin (SA-ZnTCPP) and zinc acetate (Zn(OAc)₂) nanoporous films were deposited onto the fiber sensing region. The structural, morphological, and compositional properties of the nanomaterials and films were analyzed via Fourier-transform infrared (FT-IR) spectroscopy, ultraviolet–visible (UV–Vis) absorption spectroscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM). NH₃ adsorption by the thin film modifies the sensor’s effective refractive index, enabling gas detection. Experimental results revealed that the interference intensity of the monitoring peak increased proportionally with NH₃ concentration. Within the 0–600 ppb range, the sensor demonstrated high sensitivity (7.12 dB/ppm) and linearity, achieving a detection limit of 2 ppm with response-recovery times of 40 s and 50 s, respectively. The sensor demonstrates notable advantages, including high sensitivity, excellent selectivity, straightforward design, and ultra-low detection limits, indicating strong potential for toxic NH₃ monitoring in chemical engineering and industrial applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126575"},"PeriodicalIF":4.3,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549457","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":"Naked-eye trackable fluorescence-enhanced probe for real-time imaging of biological thiols in living cells","authors":"Mingjie Wei ,&nbsp;Xingfeng Wang ,&nbsp;Rong Liu ,&nbsp;Zhengyuhan Yang ,&nbsp;Peilin Li ,&nbsp;Qing Yao ,&nbsp;Yanting Su ,&nbsp;Wenbin Qian ,&nbsp;Shigang Shan ,&nbsp;Yongfen Bao ,&nbsp;Li Niu","doi":"10.1016/j.saa.2025.126618","DOIUrl":"10.1016/j.saa.2025.126618","url":null,"abstract":"<div><div>Biothiols, comprising cysteine (Cys), homocysteine (Hcy), and glutathione (GSH), constitute the predominant thiol pool in biological systems and serve as critical regulators of redox homeostasis. Despite their physiological significance, these species exhibit marked susceptibility to oxidative stress, with resultant concentration dysregulations being implicated in the pathogenesis of various disorders including neoplastic progression, cardiovascular abnormalities, and neurodegenerative conditions. To address the critical need for reliable biothiols monitoring in living systems, we present a rationally engineered hemicyanine-based fluorescent probe (<strong>MCY-NB</strong>) employing a turn-on fluorescence mechanism. The proposed probe possesses excellent fluorescence properties, biocompatibility, and ease of operation, making it an essential prerequisite for its application in biological systems. Compared with other reports, this study is capable of quantitatively detecting total biothiols to meet the clinical demand for biothiols monitoring in samples. Furthermore, the fluorescent probe can selectively detect total biothiols against a series of amino acids with a broad concentration range (1–250 μM). Moreover, the successful realization of naked-eye visualization of biothiols through this strategy provides a highly attractive alternative for portable outdoor detection. Most critically, the fluorescence probe can realize the dynamic monitoring of intracellular biothiols fluxes through its permeability, which holds potential for application in the diagnosis of diseases associated with biothiols imbalances.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126618"},"PeriodicalIF":4.3,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549525","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":"Dual-channel fluorescent probe for simultaneous monitoring of polarity and viscosity in live-cell nucleus and sewage water","authors":"Premjit Kar ,&nbsp;Swapan Maity ,&nbsp;K.K. Athul ,&nbsp;Pralay Maiti ,&nbsp;Sankarprasad Bhuniya","doi":"10.1016/j.saa.2025.126616","DOIUrl":"10.1016/j.saa.2025.126616","url":null,"abstract":"<div><div>Nuclear polarity and viscosity are critical for maintaining proper nuclear function, including gene expression and chromatin organization. Disruptions in these physical properties can lead to impaired nuclear transport and altered signaling pathways, which are linked to diseases such as cancer and neurodegenerative disorders. We have designed a naphthalimide-based fluorescent “rotor” capable of sensing both viscosity and polarity. Interestingly, the probe <strong>Nu-PV</strong> exhibited an emission peak at 525 nm in the nonpolar solvent dioxane while in contrast, it displayed a red-shifted emission maximum at 602 nm in environments with high viscosity (glycerol). The probe is chemically stable, non-reactive with other analytes, and non-toxic. It detected changes in viscosity and polarity across various chemical industry samples. It selectively detects the nonpolar components within the nucleus and has shown that nuclear polarity decreases under conditions such as oxidative stress, starvation, and apoptosis. This suggests that probe <strong>Nu-PV</strong> can effectively monitor changes in nuclear polarity during disease-related states, potentially aiding in the development of treatments to address cellular abnormalities.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126616"},"PeriodicalIF":4.3,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549537","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":"Effects of drugs covalent binding on DNA: joint use of microRaman spectroscopy and HRTEM imaging","authors":"Monica Marini ,&nbsp;Bruno Torre ,&nbsp;Emanuele Bosurgi ,&nbsp;Marco Allione ,&nbsp;Candido Fabrizio Pirri ,&nbsp;Enzo di Fabrizio","doi":"10.1016/j.saa.2025.126606","DOIUrl":"10.1016/j.saa.2025.126606","url":null,"abstract":"<div><div>The detailed understanding of drugs interaction with cells biomolecules is fundamental to evaluate the most efficient drug dosage. In this work we provide details on the structural modification occurring to DNA upon cross-links formation with metal ions after the administration of chemotherapeutic compounds. We used nanometric filaments of suspended DNA on superhydrophobic-based devices (SHS) for an accurate analysis by microRaman spectroscopy and high-resolution transmission electron microscopy (HRTEM) to study the interaction of cisplatin with the double helix. Our data show a conformational transition of the nucleic acids upon drugs administration, relying on Raman shift and intensity variations to features such as backbone vibration (792, 834 cm⁻¹), guanine ring breathing (∼670 cm⁻¹), stretching modes of the adenine ring (∼1300 cm⁻¹, 1338 cm⁻¹), unpaired AT bases (1178 cm⁻¹ and 1204 cm⁻¹) and deoxyribosyl CH stretching vibrations (range 2800–3000 cm⁻¹). The conformational transitions towards a loosen DNA form and the integration of the drug into the double helix structures has been further confirmed by HRTEM, describing local helix denaturation. We demonstrated that the proposed methodology can be used to distinguish treated from pristine DNA by their Raman spectra, confirmed by the structural insights provided by direct imaging.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126606"},"PeriodicalIF":4.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491859","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":"Dual-mode colorimetric and fluorometric detection of D-penicillamine via inhibition of peroxidase-mimetic activity of bimetallic N-doped carbon dots","authors":"Mohamed N. Goda ,&nbsp;Laila S. Alqarni ,&nbsp;Hossieny Ibrahim ,&nbsp;Al-Montaser Bellah H. Ali ,&nbsp;Mohamed M. El-Wekil","doi":"10.1016/j.saa.2025.126605","DOIUrl":"10.1016/j.saa.2025.126605","url":null,"abstract":"<div><div>D-penicillamine (D-PEN) is used to treat Wilson's disease, rheumatoid arthritis, and cystinuria but requires careful monitoring due to its narrow therapeutic window and risks of nephrotoxicity, hematological disorders, and autoimmune reactions. To enable reliable detection, bimetallic FeCu co-doped carbon dots (FeCu@CDs) were developed as multifunctional nanozymes for dual-mode sensing of D-PEN. These nanozymes integrate peroxidase-like catalytic activity, intrinsic fluorescence, and selective thiol-binding affinity, allowing simultaneous colorimetric and ratiometric fluorescence detection. Fe and Cu doping enhanced the peroxidase-like activity and fluorescence emission of the CDs by promoting H₂O₂ activation into HO• and ¹O₂ and improving charge mobility. D-PEN inhibited this catalytic activity by binding metal centers and altered the inner filter effect (IFE) between FeCu@CDs and 2, 3-diaminophenazine (DAP), enabling selective signal modulation. The assay achieved detection limits of 0.13 μM (colorimetric) and 0.03 μM (fluorescence), with recoveries ranging from 95.6 % to 105.1 % in real samples, highlighting its importance in clinical monitoring and bioanalytical applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126605"},"PeriodicalIF":4.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502691","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":"Spectroscopic investigation of hydrogen bond network stability and microplastic leaching in ethanol-based potentised medicines at extreme dilutions during prolonged plastic storage","authors":"Subhadip Chakraborty ,&nbsp;Kaustav Ghosh ,&nbsp;Sayan Biswas ,&nbsp;Chirasree Roy Chaudhuri ,&nbsp;Amit Roy Chowdhury ,&nbsp;Rathin Chakravarty ,&nbsp;Debadatta Nayak ,&nbsp;Subhash Kaushik ,&nbsp;Ananya Barui ,&nbsp;Sharbadeb Kundu","doi":"10.1016/j.saa.2025.126615","DOIUrl":"10.1016/j.saa.2025.126615","url":null,"abstract":"<div><div>The quality and efficacy of pharmaceutical products stored under proper conditions are critical. This study examined the effects of long-term plastic storage on extremely diluted ethanol-based potentised (EP) medicines using advanced spectroscopic techniques. Four medicines, <em>Arnica montana</em>, <em>Rhus toxicodendron</em>, <em>Conium maculatum</em>, and <em>Belladonna</em>, at ultra-high (200C, 1 M) and moderate-high (30C, 200C) potencies, were stored in glass and plastic containers for one month. Post-storage, antioxidant activity (DPPH assay), pH, and spectroscopic analyses (ATR-FTIR, Raman and DLS) were conducted. Glass-stored medicines showed increased antioxidant activity and zeta potential with higher potency, while plastic-stored samples showed a decreasing trend. Conductivity was inversely correlated with zeta potential, with glass-stored medicines showing a ∼ 41.91 % reduction, while plastic-stored samples showed a ∼ 36.29 % increase. Mid-IR spectra revealed a blue shift (∼4–14 cm⁻¹) in O–H stretching and a red shift (∼2–3 cm⁻¹) in H–O–H bending for glass-stored medicines, showing weaker inter-molecular H-bonds at higher potencies. In contrast, plastic-stored medicines showed opposite shifts (∼2–17 cm⁻¹), implying more constrained H-bonding due to carbonyl-water interaction in presence of microplastics, disrupting the native ethanol-water H-Bond network. Far-IR spectra showed an enthalpic gain (∼45.34 %) in glass-stored medicines, while plastic-stored samples showed an enthalpic loss (∼56.60 %), confirming structural destabilisation of native water-network due to microplastic leaching. Our findings show that plastic containers compromised the efficacy of studied medicines by altering H-bond network stability and electrical properties. Further studies on different plastic grades and storage durations are needed to validate these findings and explore cost-effective alternatives for long-term storage of such medicines.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"343 ","pages":"Article 126615"},"PeriodicalIF":4.3,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510651","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}