Chemistry and Materials Science

Sort by

Review
Chemistry and Materials Science
Nanotechnology

Shu Wang

,

Lin Yin

,

Yanlong Meng

,

Han Gao

,

Yuhan Fu

,

Jihui Hu

,

Chunlian Zhan

Abstract: The accurate monitoring and dynamic analysis of metal ions are of considerable practical significance in environmental toxicology and life sciences. Colorimetric analysis and surface-enhanced Raman scattering (SERS) sensing technologies, utilizing the aggregation effect of gold and silver nanoparticles (Au/Ag NPs), have emerged as prominent methods for rapid metal ion detection, serving as effective complements to conventional bulky instrumental analysis techniques. This is propelled by their distinctive localized surface plasmon resonance (LSPR) response and electromagnetic field enhancement mechanisms. This article evaluates contemporary optical sensing methodologies utilizing aggregation effects and their advancements in the detection of diverse metal ions. It comprehensively outlines methodological advancements from nanomaterial fabrication to signal transduction, encompassing approaches such as biomass-mediated green synthesis and functionalization, targeted surface ligand engineering, digital readout systems utilizing intelligent algorithms, and multimodal synergistic sensing. Recent studies demonstrate that these techniques have attained trace-level identification of target ions regarding analytical efficacy, with detection limits generally conforming to or beyond applicable environmental and health safety regulations. Moreover, pertinent research has enhanced detection linear ranges, anti-interference properties, and adaptability for point-of-care testing (POCT), validating the usefulness and developmental prospects of this technology for analysis in complicated matrices.

Review
Chemistry and Materials Science
Medicinal Chemistry

Ba Wool Lee

Abstract: Acmella oleracea (L.) R. K. Jansen (Asteraceae), commonly known as the "toothache plant" or "jambu," is a significant medicinal plant that has been traditionally used in Brazil and other tropical and subtropical regions for relieving dental pain, as an anti-inflammatory agent, and as a culinary spice. Due to its versatile utility, this plant has been extensively studied in modern medicine and pharmacy for its diverse pharmacological properties, including anesthetic, analgesic, anti-inflammatory, antioxidant, and antimicrobial activities. Analytical research on the chemical compositions responsible for these activities has led to the identification of approximately 120 secondary metabolites. These findings provide scientific validation for its traditional uses and have spurred research into the development of ingredients for functional foods and cosmetics. This review incorporates the latest research findings, focusing on biological activities and compounds that have been practically isolated or can be isolated based on quantitative experimental data, to serve as a practical reference for industrial development. Furthermore, factors influencing the content of alkylamides and phenolic compounds, two major bioactive groups, are summarized to support material development. Ultimately, this review aims to provide a clearer understanding of the plant’s utility and contribute to the development of products that enhance human health.

Article
Chemistry and Materials Science
Analytical Chemistry

Sungwoo Park

,

Yeonghee Jeong

,

Sohyeon Jang

,

Cho-Hee Yang

,

Jun-Sik Chu

,

Homan Kang

,

Seung-min Park

,

Hyejin Chang

,

Bong-Hyun Jun

Abstract: Early detection of cancer biomarkers in blood is critical for improving patient outcomes; however, conventional immunoassays often rely on complex instrumentation and are not well suited for point-of-care testing or multiplexed analysis. Herein, we present a dual-mode colorimetric–surface-enhanced Raman scattering (SERS) lateral flow immunoassay (LFIA) platform for multiplexed detection of cancer biomarkers, employing elongated rod-shaped silver nanoshells (ERNSs) as SERS nanotags. The ERNS features a rough Ag shell with internally incorporated Raman labeling compounds (RLCs), enabling plasmonic extinction for visual readout and strong SERS signals for quantitative analysis while preserving the external metal surfaces for efficient antibody conjugation. Leveraging these advantages, a multiplex LFIA capable of simultaneously detecting prostate-specific antigen (PSA) and carbohydrate antigen 19-9 (CA19-9) on a single strip was successfully demonstrated. Visual inspection enabled rapid discrimination of samples at or near clinically relevant cut-off levels, while Raman analysis achieved limits of detection of 8.0 × 10-3 ng/mL for PSA and 5.4 × 10-2 U/mL for CA19-9, corresponding to approximately 500-fold and 685-fold lower concentrations than their respective clinical thresholds. This ERNS-based colorimetric–SERS LFIA integrates rapid screening and highly sensitive quantification within a single platform and offers a versatile nanoprobe design strategy for multiplex biomarker detection and liquid biopsy–based point-of-care diagnostics.

Article
Chemistry and Materials Science
Biomaterials

Jian’an Wang

Abstract: For a long time, the "biogenic theory" of petroleum origin has dominated mainstream thinking, positing that petroleum forms from the burial and thermal evolution of ancient microbial, plant, and animal remains in sedimentary environments. However, traditional theories cannot fully explain how complex biological macromolecules precisely crack into relatively simple hydrocarbon small molecules over geological time scales, and controversies remain regarding the energy sources and kinetic mechanisms of the cracking process. Integrating the core physical principle that cosmic expansion induces atomic expansion[1][3], we can construct a novel petroleum generation mechanism: petroleum is a product of sedimentary organic matter derived from microbial, plant, and animal remains, which undergoes gradual cracking and recombination of molecular structures under the sustained action of atomic expansion driven by cosmic expansion over hundreds of millions of years, ultimately transforming from complex macromolecules into hydrocarbon small molecules.

Article
Chemistry and Materials Science
Other

Tsebang A. Matlapeng

,

Theodor E. Geswindt

,

Roderick B. Walker

,

Vincent J. Smith

Abstract: Background/Objectives: Cocrystallisation is a well-established path for altering the physicochemical properties and bioavailability of active pharmaceutical ingredients (APIs). A common side effect of anti-tubercular medicines is depletion of group B vitamin reserves in TB patients. Co-administration of supplements such as pyridoxine (vitamin B6) during TB therapy may be used to ameliorate the harmful side effects of vitamin B6 deficiency. Methods: Mechanochemical grinding and solvent evaporation experiments using pyridoxine (PN) with 4-aminosalicylic acid (PAS) and separately with pyrazinecarboxylic acid (PCBA) were conducted. The bulk powder and crystal analysis was performed using FTIR, PXRD, DSC, TGA and SCXRD . Results: The isolation and characterization of two multicomponent salts containing pyridoxine, i.e., PN-PAS‧H2O and PN-PCBA. Mechanochemistry is an efficient method for the preparation of cocrystals. Conclusions: The drug-vitamin combinations may be useful for the development of new treatment regimens with improved therapeutic outcomes and reduced adverse effects.

Review
Chemistry and Materials Science
Organic Chemistry

Saltanat Baibatyrova

,

Akniyet Onerbayeva

,

Amirbek Sagyzbaev

,

Temirkhan Kenzhebaev

,

Zhazira S. Mukatayeva

,

Indira Kurmanbayeva

Abstract: Breeding of small cattle is affordable for small farms and does not require signif-icant financial investments, however, forage is often characterized by an insufficient content of minerals and vitamins. The paper analyzes patent developments of mineral and vitamin complexes (MVCs) intended for dry sheep and lambs, as well as a review of scientific data justifying the use of their components. Based on a search in the World Intellectual Property Organization (WIPO) database for the keywords “vitamins for sheep” and “minerals for sheep”, 23 patents focused on dry sheep and lambs were se-lected from 120 patents on feed additives for sheep. Their component composition is analyzed, which is conditionally divided into four groups: minerals, vitamins, func-tional and feed additives. It is shown that modern MVCs are developed taking into account the requirements of environmental safety and the physiological needs of ani-mals. It is concluded that minerals and vitamins should be considered as elements of a scientifically based vitamin and mineral system, the effectiveness of which during pregnancy is determined by the initial level of provision, the physiological status of animals and the characteristics of mineral metabolism.

Article
Chemistry and Materials Science
Materials Science and Technology

Aman Ul Azam Khan

,

Nazmunnahar Nazmunnahar

,

Mehedi Hasan Roni

,

Aurghya Kumar Saha

,

Zarin Tasnim Bristy

,

Abdul Baqui

,

Abdul Md Mazid

Abstract: Conductive thread is an integral aspect of smart textiles in the domain of electronic textiles (e-textiles). This study unveils the development of twelve distinct variants of conductive threads using twisting method, the fusion of copper filament with cotton and polyester threads. The threads are coated with a carbon paste solution enriched with dissolved sea salt. The carbon paste is obtained from non-functional dry cell batteries, conventionally categorized as hazardous electronic waste (e-waste), that underscores an economically viable and environmentally sustainable approach. Experiments proved that each variant demonstrates minimal electrical resistance. Comparative analysis against commercially available conductive threads on the market reveals a significant performance advantage. Notably, the ‘Carbon Coated Cotton Twisted Copper Thread-II’ showcases a record low resistance of 0.0164 Ω cm-1 which is approximately 19.39 times lower than the most efficient counterpart, ‘Bekinox VN type (12/1x275/100z)’. Further investigation also demonstrates the integration of these conductive threads into fabric-based flexible circuits marking a significant advancement in e-textiles. Future avenues of research may focus on optimization strategies for fabricating conductive threads and exploring their diverse applications in wearable technology and smart textiles, thus catalyzing further progress in the field.

Article
Chemistry and Materials Science
Chemical Engineering

Quanmin Liu

,

Yueguang Yu

Abstract:

The critical role of lithium in powering the new energy economy necessitates prioritizing efficient extraction methods. This study investigates a novel zeolitic imidazolate framework (ZIF-8)-coated manganese-based lithium ion sieve (LIS) for enhanced lithium recovery. The precursor of LIS, Li1.6Mn1.6O4, was synthesized via the hydrothermal method, followed by acid pickling to obtain the spinel lithium ion sieve H1.6Mn1.6O4. The material was then immersed in a 2-methylimidazole/Zn(NO3)2 solution, undergoing ultrasonic-assisted hydrothermal growth to form ZIF@H1.6Mn1.6O4 composites. Under optimized conditions (30 °C, pH=11, 24 h), the composite demonstrated superior lithium extraction performance compared to single-phase adsorbents, reaching 26.44 mg/g at the solution with 250 mg/L Li+. The adsorption capacity of the composite increased with Li+ concentration and reaction time. The adsorption kinetics followed a pseudo-second-order kinetic model and is dominated by chemisorption.

Article
Chemistry and Materials Science
Nanotechnology

Nicoly T. R. Britto

,

Lilian R. S. Montanheri

,

Juliane N. B. D. Pelin

,

Raquel A. G. B. Siqueira

,

Matheus de Souza Alves

,

Tereza S. Martins

,

Ian W. Hamley

,

Patricia S. Lopes

,

Vânia R. Leite-Silva

,

Newton Andreo-Filho

Abstract: High-energy methods dominate the development of lipid nanoparticles but often require specialized equipment that increases production costs. Low-energy approaches, particularly those free of organic solvents, offer a promising alternative. This study aimed to obtain nanostructured lipid carriers (NLC) using a solvent-free, low-energy process combining microemulsification and phase inversion. Cetearyl alcohol and PEG-40 hydrogenated castor oil were selected as solid lipid and surfactant, respectively, the formulation and process were optimized through a Box–Behnken Design. Incorporation of ionic surfactant extended colloidal stability, while poloxamer in the aqueous phase enhanced steric stabilization. Resveratrol was efficiently encapsulated (E.E. = 98%), contributing to reduced particle size (291 nm), improved homogeneity (PDI = 0.25), and positive surface charge (+43 mV). Scale-up yielded stable particles carrying resveratrol with mean size of 507 nm, PDI = 0.24, and ZP = +52 mV. The optimized formulation remained stable for 90 days at 8 °C. In vitro release demonstrated a sustained and controlled release profile, with significantly lower resveratrol release compared to the free compound. Thermal analysis confirmed drug incorporation within the lipid matrix, while transmission electron microscopy (TEM) revealed spherical particles (~200 nm) and SAXS indicated a nanostructure of ~50 nm. Overall, this study demonstrates that solvent-free, low-energy processing can produce stable and scalable NLC formulations, successfully encapsulating resveratrol with favorable physicochemical properties and controlled release behavior. These findings highlight a simple, cost-effective strategy for developing lipid-based nanocarriers with potential applications in drug delivery.

Article
Chemistry and Materials Science
Biomaterials

Nikola Šimunić

,

Vladimir Tudić

,

Josip Hoster

,

Zvonimir Kralj

Abstract: Numerous studies show that the use of dental guides that rest on the patient's teeth improves the precision of implant placement, but the currently developed procedures and selected materials are still not perfect and could result in deviations from the planned implant position. The impact of the surgeon's hand force on the deformation of dental guides during implant placement has not yet been investigated or documented. In this study the behavior of the 3D guide model is evaluated by FEA analysis to validate the influence of the force of the surgical hand on dental guides due to their application. FEM simulation of deformation and stress was designed for four different types of dental guides that are supported on teeth for different ways of supporting the guide due to the action of the surgeon's manual force (chosen arbitrarily 30 N). The finite element simulation method performed on 5 sets of commonly used biocompatible polymer materials, Stratasys MED610 and VeroGlaze MED620, EOS PA2200, Formlabs FLSGAM01 and Stratasys ULTEM 1010, successfully numerically quantified the deformation of the dental guide caused by the surgeon's arbitrarily manual forces during manipulation. Based on the conducted analyses, guidelines were proposed for improving the design of guides, with an emphasis on optimal selection of supports, stability on the patient's anatomy, and reduction of deformations, thereby increasing the accuracy of implant placement. It was found for all four designs of dental guides that the deflection depends on the size of the arm, i.e. the distance of the support from the point of application of the force. As a result of the study, diagrams were created that serve as guidelines for the design of beam (A and A1) and cantilever (B and B1) versions of dental guides that rely on teeth. Guidelines for enhancing guide design were put out based on the analyses that were carried out, with a focus on the best choice of supports, stability on the patient's anatomy, and minimization of deformations in order to improve implant placement accuracy.

Article
Chemistry and Materials Science
Materials Science and Technology

Irum Jamil

,

Faisal Nawaz

,

Muqdssa Rashid

,

V. Geethalakshmi

,

Hsien-Yi Hsu

,

Mohammed-Ibrahim Jamesh

Abstract:

The development of efficient, earth abundant electrocatalysts for the oxygen evolution reaction (OER) is essential for alkaline water electrolysis. In this work, we prepared MnZnFe₂O₄, SrWO₄, and a MnZnFe₂O₄@SrWO₄ ferrite–tungstate heterostructure by simple co-precipitation and hydrothermal routes and evaluated them as OER catalysts in 1 M KOH. The catalysts are characterized by XRD, UV–Vis, FTIR, SEM, and EDX. The catalysts exhibit phase-pure components with intimate contact between the two phases, and a smaller particle size for the composite. The MnZnFe₂O₄@SrWO₄ exhibits modified electronic structure possibly due to the electronic interaction between Fe and W centers. Electrochemical measurements demonstrated an overpotential of 200 mV at 10 mA cm-2, that exhibits a reduced Tafel slope (150 mV dec⁻¹), and displays lower charge-transfer resistance than the single-phase oxides. In addition, the composite retains >94% of its current over 24 h, indicating good durability. These results suggest that ferrite–tungstate coupling can be an effective strategy to non-noble OER catalysts.

Article
Chemistry and Materials Science
Medicinal Chemistry

Shrikant S. Nilewar

,

Santosh S. Chobe

,

Amruta D. Gurav

,

Salman B. Kureshi

,

Srushti B. Palande

,

Jesica Escobar-Cabrera

,

Fabiola Hernández-Rosas

,

Tushar Janardan Pawar

Abstract: The human metapneumovirus (HMPV) Fusion (F) glycoprotein is a high-priority target for "fusion-locking" agents that stabilize its metastable prefusion state. While monomeric catechins like EGCG are known antivirals, the molecular basis for the superior activity of structurally complex dimeric catechins remains poorly understood. We employed an advanced biophysical workflow, integrating 100 ns all-atom Molecular Dynamics (MD), Free Energy Landscape (FEL) analysis, and MM/GBSA thermodynamic integration to decode the Structure-Dynamics Relationship (SDR) of 210 Camellia sinensis (Green tea) phytochemicals. The results reveal a "Galloylation-Driven Anchoring" mechanism: the galloyl moiety of prodelphinidin A2 3′-gallate provides critical electrostatic complementarity to the Asp325-Asp336 acidic ridge. FEL analysis quantitatively demonstrates that this anchoring traps the F protein in a deep, kinetically stabilized global minimum (ΔG = 9.357 kJ/mol), effectively raising the energy barrier for the fusogenic conformational shift. This study provides a rigorous thermodynamic proof-of-concept for the use of dimeric natural scaffolds as precision fusion-locking agents, offering a roadmap for experimental biophysical validation.

Article
Chemistry and Materials Science
Other

Carla Calabrese

,

Valeria La Parola

,

Giuseppe Pantaleo

,

Leonarda Francesca Liotta

Abstract:

Nickel-supported over SiO₂-CeO₂ mixed oxides were investigated as catalysts for syngas production via the dry reforming of methane. The SiO₂-CeO₂ supports were optimized, playing on the preparation method and ceria loading with the aim of stabilizing nickel nanoparticles, enhancing the catalytic performance, and improving the resistance to coke formation under high-temperature reforming conditions. To investigate the effect of support composition, SiO₂-CeO₂ mixed oxides with ceria contents ranging from 5 to 30 wt% were prepared using two synthesis routes: sol-gel and wetness impregnation methods. A nickel loading of 5 wt% was deposited on the resulting supports. The catalysts were characterized by XRD, N₂ physisorption, temperature-programmed reduction, and Raman spectroscopy. Catalytic activity tests were conducted over reduced catalysts in an H₂-He stream at 750 °C, using a feed mixture containing 15 vol% CH₄ and 15 vol% CO₂ in He. The effect of temperature on catalytic performance was evaluated in the range of 450–800 °C. Thermogravimetric, XRD and Raman analyses of spent catalysts were used to assess carbon deposition and the nature of crystalline phases. The results highlight the role of CeO₂ content and preparation method in determining nickel dispersion, reducibility, catalytic performance in DRM, and coke resistance.

Article
Chemistry and Materials Science
Paper, Wood and Textiles

Miroslav Gašparík

,

Tomáš Kytka

,

Monika Bezděková

Abstract: This work deals with the impact of surface acoustic treatment (holes and grooves) and primary material (plywood, MDF, solid wood panel) of acoustic panels on its fire characteristics. Fire characteristics were determined based on the cone calorimeter method, single-flame source test, and smoke generation assessment. In general, birch plywood demonstrated the highest values for heat release rate (HRR), maximum average rate of heat emission (MARHE), and effective heat of combustion (EHC), indicating its higher flammability compared to the other tested materials. MDF generally exhibited the lowest values for heat release rate (HRR) and maximum average rate of heat emission (MARHE), yet under certain perforated configurations, it generated the highest amount of smoke. Solid wood panels exhibited the lowest heat release rate (HRR) but developed the largest charred areas during the single-flame source test. Among the surface treatments, the 16/8 mm treatment resulted in the highest values of effective heat of combustion (EHC) and maximum average rate of heat emission (MARHE), while the 8/1.5–15T treatment exhibited the most rapid increase in heat release rate (HRR), attributed to the swift degradation of its thin surface layer and high void fraction. The presence of holes and grooves increased smoke production, which was most evident in MDF and plywood panels.

Article
Chemistry and Materials Science
Electrochemistry

Songjie Li

,

Yuxin Li

,

Renzhe Jin

,

Jiajiao Wei

,

Peng Zhu

,

Jianmeng Wu

,

Xiaomei Yu

,

Jinyou Zheng

Abstract:

Efficient and low-cost electrocatalysts play a crucial role in hydrogen production through electrolysis of water. Molybdenum (Mo) carbide with a similar electronic structure to Pt was selected, both α-MoC1−x and α-MoC1−x/β-Mo2C electrocatalysts were successfully fabricated for electrochemical hydrogen evolution. A continuous optimization of the hydrothermal and carbonization conditions was carried out for the preparation of α-MoC1−x. The biphasic molybdenum carbide catalysts were further achieved via vanadium doping with a phase transition of molybdenum carbide from α to β, which increases the specific surface area of the electrocatalyst. It was found that the V-MoxC catalyst obtained at a Mo/V molar ratio of 100:5 exhibited the best hydrogen production performance, with a β to α phase ratio of 0.827. The overpotential of V-MoxC at η10 decreased to 99 mV, and the Tafel slope reached 65.1 mV dec−1, indicating a significant improvement in performance compared to undoped samples. Excellent stability was obtained of the as-prepared electrocatalyst for water splitting over 100 h at a current density of 10 mA cm−2.

Article
Chemistry and Materials Science
Food Chemistry

Massimo Guaita

,

Alice Zocco

,

Stefano Messina

,

Silvia Motta

,

Jean Daniel Coïsson

,

Antonella Bosso

Abstract: Due to the seasonality of its production and to its polluting characteristics, the management and disposal of large amounts of grape pomace (GP) produced worldwide every year can pose a significant economic and environmental challenge. The research on the possible exploitation of GP for various purposes has been constantly growing during the last years, due to the increased general sensibility on issues like sustainability of agro-industrial production and to the growing consumer demand for the use of natural versus synthetic compounds. The work concerned the determination of the polyphenolic profile and the dietary fiber content of skins and seeds from unfermented and fermented white and red grape pomace of different cultivars, sampled from local wineries in the Piedmont area (Italy) after winemaking. A double extraction was performed to maximize the extraction of polyphenols from grape pomace flours. The extractable polyphenols content (EPP) was determined in the extracts, while the non-extractable condensed tannins (NEPP) linked to the fiber were quantified in the residue after extraction. The total dietary fiber (TDF) was determined for skins and seeds; limited to skins, the analysis was extended to the distinction between soluble and insoluble dietary fiber (SDF and IDF). The polyphenolic and dietary fiber content was significantly higher in seeds than in skins. However, from a nutritional point of view, skins dietary fiber may be more interesting due to the higher NEPP content than seeds; moreover, the winemaking technique influenced the quantity and characteristics of skins fiber, which contained SDF, almost absent in seeds.

Article
Chemistry and Materials Science
Analytical Chemistry

Jie Gao

,

Weiwei Zhang

,

Hangming Qi

,

Xu Tao

,

Qian Yu

,

Xianming Kong

,

Kundan Sivashanmugan

Abstract: A flexible paper base SERS substrate with hydrophobic surface was fabricated through a simple route. The Ag nanoparticle was modified on filter paper through in situ growth method. After optimizing the condition during the growth and surface modification process, the hydrophobic filter paper-Ag was prepared via soaking in 10-8 g/ml of 1-Dodecanethiol with 12 h growth time. The flexible SERS substrate exhibit excellent hydrophobic properties, the contact angle of water could achieve 130.2 °. When the solution of analyte was dropped onto the SERS substrate, the diffusion effect was limited. After evaporation, the target analyte was concentrated within a fixed area. The hydrophobic SERS substrate could simultaneously improve the SERS signal and fluorescence of the analyte. The paper base SERS substrate with hydrophobic surface was used for detecting thiram from edible oil, and the sensitivity was down to 10-7 M. We proposed a flexible, economical and green hydrophobic SERS substrate for the detection of harmful ingredient from hydrophobic phase.

Article
Chemistry and Materials Science
Materials Science and Technology

Mengshuai Liu

,

Xiaoman Li

,

Mengmeng Zhao

,

Xuyang Jiu

,

Chuang Yao

,

Minglei Tian

Abstract:

Background: Food waste contains abundant (+)-catechin, but its efficient recovery remains challenging. This study aimed to prepare ionic liquid (IL)-modified sorbents and establish an efficient method for (+)-catechin recovery from chocolate waste via solid-phase extraction (SPE); Methods: Three serious of IL-modified sorbents (Sil-IL, ZIF67-IL, Sil@ZIF67-IL) were synthesized. Their adsorption performance was evaluated under different conditions; adsorption isotherms and kinetics were fitted to Langmuir/Freundlich and pseudo-first/second-order models, respectively. Sorbent stability and (+)-catechin recovery from chocolate waste extracts were tested; Results: Sil@ZIF67-Hmim showed the highest adsorption capacity (154.4 mg/g) at 25 °C within 120 min. Adsorption followed the Langmuir model (R²=0.99), indicating chemical adsorption. Sil@ZIF67-Hmim was subjected to repeated solid phase extraction (SPE) for five consecutive days, the recovery rate ranged from 98.1%-99.2%, and the relative standard deviation (RSD) was 3.2%-4.4%; Conclusion: Sil@ZIF67-Hmim is a high-efficiency sorbent for (+)-catechin recovery from chocolate waste, providing a novel approach for food waste valorization and highlighting the application potential of IL-modified MOF-silica composites.

Article
Chemistry and Materials Science
Polymers and Plastics

Adetutu Oluwakemi Aliyu

,

Olaide Olalekan Wahab

,

Abdulafeez Olayinka Akorede

Abstract: The accumulation of polyethylene (PE) waste presents significant environmental and economic challenges, particularly in developing regions where plastic valorisation infrastructure remains limited. In this work, waste polyethylene was upgraded through coordination-catalyzed oxidative functionalization using earth-abundant Schiff base metal complexes of iron, cobalt, manganese, and copper with salen and salophen ligands. The process enables selective incorporation of oxygen-containing functional groups while largely preserving polymer molecular integrity, offering a material-oriented alternative to fuel-focused plastic recycling. Fourier transform infrared spectroscopy confirmed the formation of carbonyl and hydroxyl functionalities, with the carbonyl index (CI) increasing from 0.02 ± 0.01 for untreated polyethylene to 0.48 ± 0.04 and 0.42 ± 0.03 for Fe(salen)Cl and Co(salen) catalysts, respectively, under identical conditions. Salophen-based complexes consistently exhibited slightly higher oxidation efficiencies than their salen analogues. Gel permeation chromatography revealed controlled molecular weight reduction, with number-average molecular weight (Mₙ) decreasing from 62.4 × 10³ g•mol⁻¹ (untreated PE) to 56.8 × 10³ and 54.9 × 10³ g•mol⁻¹ for Fe- and Co-based systems, while dispersity remained within polymer-grade ranges. Differential scanning calorimetry and thermogravimetric analysis showed only minor changes in melting temperature and thermal stability. Surface-sensitive X-ray photoelectron spectroscopy confirmed oxidation localized primarily at the polymer surface, while atomic absorption spectroscopy indicated residual metal contents below 10 ppm. Catalyst reusability studies demonstrated sustained activity over multiple cycles. Overall, this coordination-catalyzed strategy provides a scalable and industrially relevant pathway for upgrading polyethylene waste into value-added functional polymers, with strong potential for integration into emerging circular polymer economies in Nigeria and other African regions.

Article
Chemistry and Materials Science
Medicinal Chemistry

Osman Karaman

,

Dilay Kepil

,

Mehrdad Forough

,

Zubeyir Elmazoglu*

,

Gorkem Gunbas*

Abstract: Photodynamic therapy (PDT) offers a promising complementary strategy for the treatment of glioblastoma multiforme (GBM); however, achieving selective activation in tumor tissue and maintaining efficacy under hypoxic conditions remain significant limitations. In this study, we present the synthesis and functional evaluation of Gal-SiX, an enzymatically activatable Si-xanthene photosensitizer designed to address these challenges. Prepared through an improved 10-step synthetic route, Gal-SiX displays a clear turn-on fluorescence and absorbance response upon β-galactosidase activation and generates reactive oxygen species efficiently in aqueous media. Mechanistic studies revealed that Gal-SiX enables both Type I and Type II PDT pathways, an advantageous feature for GBM, where oxygen availability is restricted. In vitro assays conducted on U87MG glioblastoma cells and L929 healthy fibroblasts demonstrated meaningful selectivity, with IC50 values of 3.30 μM and 7.19 μM, respectively. Gal-SiX also showed minimal dark toxicity (>80 μM) and potent light-induced cytotoxicity, yielding a phototoxicity index of 24.8 in glioblastoma cells. Confocal imaging and MTT assays consistently demonstrated its activation and PDT efficacy. Overall, this work introduces the first activatable Si-xanthene–based PDT agent for glioblastoma and provides the first evidence that the Si-xanthene scaffold can support dual Type I/II phototoxicity. These results underscore Gal-SiX’s potential as a selective PDT platform for addressing the unique constraints of GBM biology.

of 412

Prerpints.org logo

Preprints.org is a free preprint server supported by MDPI in Basel, Switzerland.

Subscribe

Disclaimer

Terms of Use

Privacy Policy

Privacy Settings

© 2026 MDPI (Basel, Switzerland) unless otherwise stated