{"title":"在长期塑料储存过程中,乙醇基增强药物中氢键网络稳定性和微塑料浸出在极度稀释下的光谱研究","authors":"Subhadip Chakraborty , Kaustav Ghosh , Sayan Biswas , Chirasree Roy Chaudhuri , Amit Roy Chowdhury , Rathin Chakravarty , Debadatta Nayak , Subhash Kaushik , Ananya Barui , Sharbadeb Kundu","doi":"10.1016/j.saa.2025.126615","DOIUrl":null,"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<sup>−1</sup>) in O–H stretching and a red shift (∼2–3 cm<sup>−1</sup>) 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<sup>−1</sup>), 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":4.6000,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"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 , Kaustav Ghosh , Sayan Biswas , Chirasree Roy Chaudhuri , Amit Roy Chowdhury , Rathin Chakravarty , Debadatta Nayak , Subhash Kaushik , Ananya Barui , Sharbadeb Kundu\",\"doi\":\"10.1016/j.saa.2025.126615\",\"DOIUrl\":null,\"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<sup>−1</sup>) in O–H stretching and a red shift (∼2–3 cm<sup>−1</sup>) 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<sup>−1</sup>), 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\":4.6000,\"publicationDate\":\"2025-06-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525009229\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525009229","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Spectroscopic investigation of hydrogen bond network stability and microplastic leaching in ethanol-based potentised medicines at extreme dilutions during prolonged plastic storage
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, Arnica montana, Rhus toxicodendron, Conium maculatum, and Belladonna, 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.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.