Pub Date : 2025-12-11DOI: 10.1016/j.rechem.2025.102969
Agus Wedi Pratama , Melbi Mahardika , Sena Maulana , Ahmad Nurfaizi , Asep Hidayat , Holilah , Bambang Piluharto , Asranudin , Nurul Widiastuti , Ach. Fauzan Mas'udi , R.A. Ilyas , Victor Feizal Knight , Mohd Nor Faiz Norrrahim , Mohd Shahrieel Mohd Aras , M.K. Mohamad Haafiz
The valorization of agricultural waste is critical for developing a sustainable bioeconomy. Agarwood (Aquilaria spp.) bark, a significant byproduct of the agarwood industry, represents an underutilized source of high-quality cellulose microfibrils (CMFs). This study examines the effect of a sequential chemical treatment, with a specific focus on the re-bleaching step, on the properties of CMFs derived from this waste material. The extraction process involved alkaline treatment, initial bleaching, and final re-bleaching. The results demonstrate that the re-bleaching treatment is a crucial step for significantly enhancing CMFs properties. The cellulose content increased progressively from 49.89 % in the raw fibers to 85.86 % in the re-bleached CMFs, while the lignin content was reduced to 3.11 %. Fourier-transform infrared (FTIR) spectroscopy confirmed the systematic removal of non-cellulosic components, including hemicellulose and lignin. Morphological analysis by scanning electron microscopy (SEM) revealed a transformation from rough, bundled raw fibers (average diameter 10.01 ± 3.37 μm) to smooth, uniform CMFs (average diameter 5.30 ± 0.84 μm). Furthermore, X-ray diffraction (XRD) analysis showed a significant increase in the crystallinity index from 46.69 % to 60.38 % after re-bleaching. Thermogravimetric analysis (TGA) confirmed a substantial improvement in thermal stability, with the onset decomposition temperature rising from 229.16 °C for raw fibers to 345.35 °C for the final CMFs. These findings highlight the significance of the re-bleaching process in producing high-purity, highly crystalline, and thermally stable CMFs from agarwood bark waste, indicating their potential use as reinforcing agents in advanced biocomposite materials.
{"title":"Valorization of agarwood (Aquilaria spp.) bark waste: Impact of a re-bleaching treatment on the physicochemical properties of extracted cellulose microfibrils","authors":"Agus Wedi Pratama , Melbi Mahardika , Sena Maulana , Ahmad Nurfaizi , Asep Hidayat , Holilah , Bambang Piluharto , Asranudin , Nurul Widiastuti , Ach. Fauzan Mas'udi , R.A. Ilyas , Victor Feizal Knight , Mohd Nor Faiz Norrrahim , Mohd Shahrieel Mohd Aras , M.K. Mohamad Haafiz","doi":"10.1016/j.rechem.2025.102969","DOIUrl":"10.1016/j.rechem.2025.102969","url":null,"abstract":"<div><div>The valorization of agricultural waste is critical for developing a sustainable bioeconomy. Agarwood (<em>Aquilaria spp.</em>) bark, a significant byproduct of the agarwood industry, represents an underutilized source of high-quality cellulose microfibrils (CMFs). This study examines the effect of a sequential chemical treatment, with a specific focus on the re-bleaching step, on the properties of CMFs derived from this waste material. The extraction process involved alkaline treatment, initial bleaching, and final re-bleaching. The results demonstrate that the re-bleaching treatment is a crucial step for significantly enhancing CMFs properties. The cellulose content increased progressively from 49.89 % in the raw fibers to 85.86 % in the re-bleached CMFs, while the lignin content was reduced to 3.11 %. Fourier-transform infrared (FTIR) spectroscopy confirmed the systematic removal of non-cellulosic components, including hemicellulose and lignin. Morphological analysis by scanning electron microscopy (SEM) revealed a transformation from rough, bundled raw fibers (average diameter 10.01 ± 3.37 μm) to smooth, uniform CMFs (average diameter 5.30 ± 0.84 μm). Furthermore, X-ray diffraction (XRD) analysis showed a significant increase in the crystallinity index from 46.69 % to 60.38 % after re-bleaching. Thermogravimetric analysis (TGA) confirmed a substantial improvement in thermal stability, with the onset decomposition temperature rising from 229.16 °C for raw fibers to 345.35 °C for the final CMFs. These findings highlight the significance of the re-bleaching process in producing high-purity, highly crystalline, and thermally stable CMFs from agarwood bark waste, indicating their potential use as reinforcing agents in advanced biocomposite materials.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102969"},"PeriodicalIF":4.2,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-10DOI: 10.1016/j.rechem.2025.102961
Shimelis Kebede Kassahun
Pharmaceutical waste is an increasing global issue that contributes to surface water pollution due to its non-biodegradable nature, thermal stability, toxicity, and adverse health effects, all exacerbated by rapid population growth. Pharmaceuticals, classified as emerging organic pollutants, are a significant group of chemical substances that can enter the environment through industrial activities, healthcare facilities, and animal excretion. Existing common water and wastewater treatment techniques struggle to remove pharmaceutical compounds such as diclofenac (DCF). This study explores the synthesis of visible-active TiO₂ catalysts by doping with boron and coating them on a glass plate, examining their catalytic performance in a batch recirculating photoreactor. The synthesized doped TiO₂ sample demonstrated smaller crystal size, larger surface area, and lower absorption band energy according to physicochemical analysis. The catalyst's performance was investigated under various operational factors, including pH (ranging from 4 to 10), initial concentration (5–20 mg/L), and recirculating flow rate (20–50 mL/min), on diclofenac degradation efficiency and removal of total organic carbon (TOC). The maximum degradation efficiency of over 98 % and TOC removal of 89 % were achieved at a irradiation time of 180 min, pH of 4, concentration of 5 mg/L, and a flow rate of 20 mL/min. The repeated usability of the immobilized catalyst showed only a 9.36 % reduction in performance after six cycles of use.
{"title":"Preparation, characterization and performance assessment of immobilized visible light-active boron-doped TiO2 with inclined photoreactor on the degradation of diclofenac in aqueous solution","authors":"Shimelis Kebede Kassahun","doi":"10.1016/j.rechem.2025.102961","DOIUrl":"10.1016/j.rechem.2025.102961","url":null,"abstract":"<div><div>Pharmaceutical waste is an increasing global issue that contributes to surface water pollution due to its non-biodegradable nature, thermal stability, toxicity, and adverse health effects, all exacerbated by rapid population growth. Pharmaceuticals, classified as emerging organic pollutants, are a significant group of chemical substances that can enter the environment through industrial activities, healthcare facilities, and animal excretion. Existing common water and wastewater treatment techniques struggle to remove pharmaceutical compounds such as diclofenac (DCF). This study explores the synthesis of visible-active TiO₂ catalysts by doping with boron and coating them on a glass plate, examining their catalytic performance in a batch recirculating photoreactor. The synthesized doped TiO₂ sample demonstrated smaller crystal size, larger surface area, and lower absorption band energy according to physicochemical analysis. The catalyst's performance was investigated under various operational factors, including pH (ranging from 4 to 10), initial concentration (5–20 mg/L), and recirculating flow rate (20–50 mL/min), on diclofenac degradation efficiency and removal of total organic carbon (TOC). The maximum degradation efficiency of over 98 % and TOC removal of 89 % were achieved at a irradiation time of 180 min, pH of 4, concentration of 5 mg/L, and a flow rate of 20 mL/min. The repeated usability of the immobilized catalyst showed only a 9.36 % reduction in performance after six cycles of use.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102961"},"PeriodicalIF":4.2,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, epoxidized argemone mexicana oil polyol ester (EAMOPE) was synthesized by in-situ epoxidation of argemone mexicana oil polyol ester using peracetic acid in presence of sulfated tin (IV) oxide catalyst following glycolysis and esterification of Argemone mexicana oil (AMO). The chemically modified products (viz. argemone mexicana oil polyol (AMOP), argemone mexicana oil polyol ester (AMOPE), and EAMOPE) were analyzed using FTIR and NMR. The analytical results showed the successful synthesis of the obtained products. Furthermore, the physicochemical characterizations revealed that the epoxy product (EAMOPE) was effectively converted. PVC films were formulated using 100 % and 50 % of EAMOPE and compared with dioctyl phthalate (DOP) plasticizer. Pure PVC film was used as a control sample. Thermogravimetric analysis (TGA) results revealed that the plasticized PVC film using EAMOPE plasticizer improved thermal stability. Thermal oven anti-aging tests further revealed that EAMOPE is more effective in enhancing the thermal stability and durability of PVC film. Analysis of tensile tests indicated that EAMOPE significantly enhanced elongation at break by approximately 38 %, but significantly reduced tensile strength and elastic modulus. This suggests that EAMOPE has significant effects on the mechanical characteristics of PVC film. DSC analysis showed that plasticized PVC film with EAMOPE lowered glass transition temperature (Tg). Therefore, this study suggests that EAMOPE is a viable, environmentally benign bioplasticizer that might replace the role of DOP in soft PVC applications such as kids' toys, food packaging, and medical devices.
{"title":"Synthesis and performance evaluation of bioplasticizer from argemone mexicana oil using sulfated tin (IV) oxide catalyst for polyvinyl chloride applications","authors":"Fekadu Ashine , Belachew Zegale Tizazu , Zebene Kiflie","doi":"10.1016/j.rechem.2025.102958","DOIUrl":"10.1016/j.rechem.2025.102958","url":null,"abstract":"<div><div>In this study, epoxidized argemone mexicana oil polyol ester (EAMOPE) was synthesized by in-situ epoxidation of argemone mexicana oil polyol ester using peracetic acid in presence of sulfated tin (IV) oxide catalyst following glycolysis and esterification of Argemone mexicana oil (AMO). The chemically modified products (viz. argemone mexicana oil polyol (AMOP), argemone mexicana oil polyol ester (AMOPE), and EAMOPE) were analyzed using FTIR and NMR. The analytical results showed the successful synthesis of the obtained products. Furthermore, the physicochemical characterizations revealed that the epoxy product (EAMOPE) was effectively converted. PVC films were formulated using 100 % and 50 % of EAMOPE and compared with dioctyl phthalate (DOP) plasticizer. Pure PVC film was used as a control sample. Thermogravimetric analysis (TGA) results revealed that the plasticized PVC film using EAMOPE plasticizer improved thermal stability. Thermal oven anti-aging tests further revealed that EAMOPE is more effective in enhancing the thermal stability and durability of PVC film. Analysis of tensile tests indicated that EAMOPE significantly enhanced elongation at break by approximately 38 %, but significantly reduced tensile strength and elastic modulus. This suggests that EAMOPE has significant effects on the mechanical characteristics of PVC film. DSC analysis showed that plasticized PVC film with EAMOPE lowered glass transition temperature (Tg). Therefore, this study suggests that EAMOPE is a viable, environmentally benign bioplasticizer that might replace the role of DOP in soft PVC applications such as kids' toys, food packaging, and medical devices.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102958"},"PeriodicalIF":4.2,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study investigates the structural, morphological, thermal, electrochemical, and self-healing properties of epoxy coatings containing microcapsules synthesized from urea-formaldehyde (UF), perfluorooctyltriethoxysilane (PFOTES), and ZIF-8 hybride. Fourier-transform infrared (FT-IR) spectroscopy confirms the successful formation of a hybrid polymeric-silane shell, revealing characteristic functional groups. Transmission electron microscopy (TEM) demonstrates a core-shell morphology of the microcapsules, indicating effective encapsulation. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) show the influence of microcapsules on the thermal properties, with reduced glass transition temperature (Tg) and enhanced thermal stability of the coating. Field emission scanning electron microscopy (FESEM) and energy-dispersive X-ray spectroscopy (EDS) provide visual and elemental evidence of self-healing, with localized release of healing agents upon damage and diffusion over time. Electrochemical impedance spectroscopy (EIS) reveals that the microcapsule-containing coatings maintain high charge transfer resistance (Rct) and coating resistance (Rcoat) in 3.5 % NaCl, demonstrating prolonged corrosion resistance and self-healing capabilities. The study highlights the potential of UF/PFOTES microcapsules to enhance coating durability, flexibility, and resistance to environmental stress. Quantitatively, Tg decreased from 113.8 °C to 90.0 °C, and thermal degradation onset was delayed by ∼28 °C with a peak at 450 °C. Rct increased sixfold from 3.23 × 104 Ω (bare) to 2.19 × 106 Ω (MUF-1 week), maintaining 1.67 × 106 Ω after 2 weeks. Corrosion current density dropped from 1.64 × 10−4 A·cm−2 to 2.71 × 10−6 A·cm−2, with polarization resistance reaching 5.24 × 108 Ω·cm2. Adhesion recovered from 3.8 to 6.4 MPa within 7 days, confirming durable autonomous repair in aggressive saline environments.
{"title":"Enhanced structural, thermal and electrochemical properties of epoxy coatings with UF/PFOTES- ZIF-8 self-healing microcapsules","authors":"Mahbod Jalalinik , Saeid Nickabadi , Majid Askari sayar , Hossein Rostami , Behrang Golmohammadi","doi":"10.1016/j.rechem.2025.102957","DOIUrl":"10.1016/j.rechem.2025.102957","url":null,"abstract":"<div><div>This study investigates the structural, morphological, thermal, electrochemical, and self-healing properties of epoxy coatings containing microcapsules synthesized from urea-formaldehyde (UF), perfluorooctyltriethoxysilane (PFOTES), and ZIF-8 hybride. Fourier-transform infrared (FT-IR) spectroscopy confirms the successful formation of a hybrid polymeric-silane shell, revealing characteristic functional groups. Transmission electron microscopy (TEM) demonstrates a core-shell morphology of the microcapsules, indicating effective encapsulation. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) show the influence of microcapsules on the thermal properties, with reduced glass transition temperature (Tg) and enhanced thermal stability of the coating. Field emission scanning electron microscopy (FESEM) and energy-dispersive X-ray spectroscopy (EDS) provide visual and elemental evidence of self-healing, with localized release of healing agents upon damage and diffusion over time. Electrochemical impedance spectroscopy (EIS) reveals that the microcapsule-containing coatings maintain high charge transfer resistance (Rct) and coating resistance (Rcoat) in 3.5 % NaCl, demonstrating prolonged corrosion resistance and self-healing capabilities. The study highlights the potential of UF/PFOTES microcapsules to enhance coating durability, flexibility, and resistance to environmental stress. Quantitatively, Tg decreased from 113.8 °C to 90.0 °C, and thermal degradation onset was delayed by ∼28 °C with a peak at 450 °C. Rct increased sixfold from 3.23 × 10<sup>4</sup> Ω (bare) to 2.19 × 10<sup>6</sup> Ω (MUF-1 week), maintaining 1.67 × 10<sup>6</sup> Ω after 2 weeks. Corrosion current density dropped from 1.64 × 10<sup>−4</sup> A·cm<sup>−2</sup> to 2.71 × 10<sup>−6</sup> A·cm<sup>−2</sup>, with polarization resistance reaching 5.24 × 10<sup>8</sup> Ω·cm<sup>2</sup>. Adhesion recovered from 3.8 to 6.4 MPa within 7 days, confirming durable autonomous repair in aggressive saline environments.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102957"},"PeriodicalIF":4.2,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The development of sustainable and efficient strategies for carbamate synthesis remains a key challenge in synthetic chemistry. Herein, we report a magnetic, MOF-derived copper catalyst (CoFe₂O₄@CNSCu) for the oxidative synthesis of enol carbamates under mild and environmentally benign conditions, using safer starting materials. The catalyst was obtained via thioacetamide-assisted pyrolysis of CoFe₂O₄@HKUST-1, resulting in a nitrogen/sulfur co-doped carbon matrix that provides high conductivity, stability, and uniform dispersion of Cu species. This architecture ensures efficient electron transfer and prevents metal aggregation during catalysis. The system enabled the selective synthesis of 45 enol carbamates exclusively as Z-isomers in high yields. Such stereochemical precision allowed for computational and molecular docking studies, which revealed favorable binding affinities of several carbamates toward leukocyte elastase (LE). Owing to its strong magnetic response and structural stability, the catalyst was easily recovered and reused for at least five consecutive cycles with negligible activity loss. Overall, this study demonstrates a robust, recyclable, and biologically relevant catalytic system derived from a magnetic MOF precursor through controlled carbonization and heteroatom doping.
{"title":"A robust and reusable heteroatom-doped nanocatalyst for the synthesis of enol carbamates via oxidative coupling of formamides: molecular docking as potential leukocyte elastase inhibitors","authors":"Firouz Matloubi Moghaddam, Hassan Fazli, Pantea Montazeri","doi":"10.1016/j.rechem.2025.102953","DOIUrl":"10.1016/j.rechem.2025.102953","url":null,"abstract":"<div><div>The development of sustainable and efficient strategies for carbamate synthesis remains a key challenge in synthetic chemistry. Herein, we report a magnetic, MOF-derived copper catalyst (CoFe₂O₄@CNSCu) for the oxidative synthesis of enol carbamates under mild and environmentally benign conditions, using safer starting materials. The catalyst was obtained via thioacetamide-assisted pyrolysis of CoFe₂O₄@HKUST-1, resulting in a nitrogen/sulfur co-doped carbon matrix that provides high conductivity, stability, and uniform dispersion of Cu species. This architecture ensures efficient electron transfer and prevents metal aggregation during catalysis. The system enabled the selective synthesis of 45 enol carbamates exclusively as <em>Z</em>-isomers in high yields. Such stereochemical precision allowed for computational and molecular docking studies, which revealed favorable binding affinities of several carbamates toward leukocyte elastase (LE). Owing to its strong magnetic response and structural stability, the catalyst was easily recovered and reused for at least five consecutive cycles with negligible activity loss. Overall, this study demonstrates a robust, recyclable, and biologically relevant catalytic system derived from a magnetic MOF precursor through controlled carbonization and heteroatom doping.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102953"},"PeriodicalIF":4.2,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-07DOI: 10.1016/j.rechem.2025.102933
Yasamin Laal Kazemian, Jina Khayatzadeh, Masoud Homayouni Tabrizi, Elnaz Haghighi
Background
Quinoline derivatives possess anticancer potential but are limited by poor solubility and specificity. Nanoparticle-based delivery systems, such as zein–casein sodium nanoparticles (ZCNPs), offer improved stability, bioavailability, and tumor targeting.
Methods
Quinoline was profiled using SwissADME and docked (Molecular Operating Environment (MOE)) against Polypyrimidine Tract Binding protein (PTB) (2 AD9) and Fibroblast Growth Factor 2 (FGF2) (1EV2). QZCNPs were synthesized via antisolvent precipitation, characterized by Dynamic Light Scattering (DLS) (Z-average 157.13 ± 4.6 nm, Polydispersity Index (PDI) 0.279 ± 0.034), Field Emission Scanning Electron Microscopy (FESEM) (151 ± 7 nm), Fourier Transform Infrared Spectroscopy (FTIR), and zeta potential (−38.49 ± 1.49 mV). Ultraviolet-Visible Spectroscopy (UV–Vis) determined encapsulation efficiency at 320 nm. In vitro evaluation included MTT assays on A2780 cancer and Human Dermal Fibroblasts (HDF) normal cells, apoptosis analysis (flow cytometry, Acridine Orange/Propidium Iodide (AO/PI)), qRT-PCR (Nuclear Factor kappa B (NFκB), Tumor Necrosis Factor-alpha (TNF-α), Matrix Metalloproteinase-2 (MMP2); Glyceraldehyde-3-phosphate Dehydrogenase (GAPDH)-normalized), and antioxidant assays (ABTS+/DPPH).
Results
In silico analysis confirmed favorable drug-likeness and Gastrointestinal (GI) absorption. Docking revealed optimal PTB binding (S-score − 4.69) via SER131 hydrogen bond and HIS62 hydrophobic contacts. Zein/casein affinities exceeded cancer targets, yielding 84.31% encapsulation. QZCNPs showed sustained release (12% burst at 2 h, 82% at 96 h). Cytotoxicity was dose-dependent in A2780 cells (IC₅₀ ≈ 125 μg/mL) with 61.48 ± 0.53% viability at 125 μg/mL and 42.34 ± 3.94% at 500 μg/mL, while HDF cells tolerated 250 μg/mL (94.37 ± 3.00% viability). Apoptosis increased from 0.84 ± 0.15% (control) to 54.7 ± 4.3% at 412 μg/mL (p < 0.001). Gene expression at 412 μg/mL revealed NFκB suppression (0.41 ± 0.05, p < 0.01), TNF-α reduction (0.51 ± 0.04, p < 0.01), and MMP2 downregulation (0.55 ± 0.07, p < 0.05). Antioxidant activity achieved complete ABTS+ inhibition at 1000 μg/mL (Trolox Equivalents (TE) 185.8 ± 9.2 μg/mL), outperforming empty nanoparticles (1.14 ± 0.05 vs 0.21 ± 0.03 mmol Trolox/g, p < 0.001).
Conclusion
QZCNPs selectively induce ovarian cancer apoptosis, suppress pro-tumorigenic genes, and exert potent antioxidant effects, overcoming quinoline's delivery limitations. This multifunctional platform warrants in vivo validation.
Pub Date : 2025-12-06DOI: 10.1016/j.rechem.2025.102956
Tebogo A. Mashola, Rudzani Sigwadi
The sluggishness of the Oxygen reduction reaction (ORR), alongside the scarcity and high cost of the currently used platinum-based electrocatalysts have made carbon-based electrocatalysts gain more recognition in ORR applications. Covalent organic frameworks (COFs) have recently gained great interest from researchers and material scientists for oxygen electroreduction. COFs are a new class of emerging crystalline polymers having a highly porous structure constructed by organic molecules through covalent linkages. Owing to their many interesting features such as their large surface area and adjustable porosity resulting from covalent bonds, they have found great applicability in research. The adjustable features of the COFs make them desirable and appropriate for the next generation of electrocatalysts in the field of energy. This review summarizes design strategies for tuning the properties of COF for ORR applications. This includes new structural design, modification with organic and inorganic molecules, metal doping and pyrolysis. It further discusses both experimental and theoretical techniques for properties changes analysis within these molecules, including structural backbone changes, porosity, electronic states and active sites evolution by COFs modification and how these changes relate to the ORR electrocatalysis efficiency. Furthermore, this review provides design and construction prospectives for researchers in designing new COF-based electrocatalysts for ORR. This review aims to analyze electrocatalysts design and modification and elucidate their structure–property relationship in ORR.
{"title":"Tailoring the structural properties of COFs-based electrocatalysts through molecular design and functionalization and their characterization for oxygen reduction reaction","authors":"Tebogo A. Mashola, Rudzani Sigwadi","doi":"10.1016/j.rechem.2025.102956","DOIUrl":"10.1016/j.rechem.2025.102956","url":null,"abstract":"<div><div>The sluggishness of the Oxygen reduction reaction (ORR), alongside the scarcity and high cost of the currently used platinum-based electrocatalysts have made carbon-based electrocatalysts gain more recognition in ORR applications. Covalent organic frameworks (COFs) have recently gained great interest from researchers and material scientists for oxygen electroreduction. COFs are a new class of emerging crystalline polymers having a highly porous structure constructed by organic molecules through covalent linkages. Owing to their many interesting features such as their large surface area and adjustable porosity resulting from covalent bonds, they have found great applicability in research. The adjustable features of the COFs make them desirable and appropriate for the next generation of electrocatalysts in the field of energy. This review summarizes design strategies for tuning the properties of COF for ORR applications. This includes new structural design, modification with organic and inorganic molecules, metal doping and pyrolysis. It further discusses both experimental and theoretical techniques for properties changes analysis within these molecules, including structural backbone changes, porosity, electronic states and active sites evolution by COFs modification and how these changes relate to the ORR electrocatalysis efficiency. Furthermore, this review provides design and construction prospectives for researchers in designing new COF-based electrocatalysts for ORR. This review aims to analyze electrocatalysts design and modification and elucidate their structure–property relationship in ORR.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102956"},"PeriodicalIF":4.2,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-06DOI: 10.1016/j.rechem.2025.102955
Masood Shah , Muhammad Naveed Umar , Muhammad Zahoor , Muhammad Ikram , Noor Ul Islam , Maqsood Ahmed , Majid Khan
Co-crystallization is an effective strategy that improves therapeutic efficacy of the drugs. This research work was conducted to prepare co-crystal of Diclofenac (DCF) and Arabinose (ARB) using solvent evaporation method. The resultant co-crystal was further characterized by various techniques such as Fourier transforms infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SCXRD). The SCXRD revealed DCF and ARB found in 2:1 stoichiometric ratio along with loosely held water molecules. Numerous interactions like H-bonding and the Van der Waals forces provide stability to crystals. The diffractogram of bulk material and simulated X-ray diffractogram showed resemblance, which reflect their purity. FTIR and DSC analyses of the co-crystal also suggest the existence of interaction between DCF and ARB. The given co-crystal depicted enhanced anti-inflammatory and cytotoxic activities; thus, it is more effective agent for therapeutic applications.
{"title":"Synthesis of diclofenac/arabinose co-crystal, single crystal characterization and in vitro biological activities","authors":"Masood Shah , Muhammad Naveed Umar , Muhammad Zahoor , Muhammad Ikram , Noor Ul Islam , Maqsood Ahmed , Majid Khan","doi":"10.1016/j.rechem.2025.102955","DOIUrl":"10.1016/j.rechem.2025.102955","url":null,"abstract":"<div><div>Co-crystallization is an effective strategy that improves therapeutic efficacy of the drugs. This research work was conducted to prepare co-crystal of Diclofenac (DCF) and Arabinose (ARB) using solvent evaporation method. The resultant co-crystal was further characterized by various techniques such as Fourier transforms infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SCXRD). The SCXRD revealed DCF and ARB found in 2:1 stoichiometric ratio along with loosely held water molecules. Numerous interactions like H-bonding and the Van der Waals forces provide stability to crystals. The diffractogram of bulk material and simulated X-ray diffractogram showed resemblance, which reflect their purity. FTIR and DSC analyses of the co-crystal also suggest the existence of interaction between DCF and ARB. The given co-crystal depicted enhanced anti-inflammatory and cytotoxic activities; thus, it is more effective agent for therapeutic applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102955"},"PeriodicalIF":4.2,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-06DOI: 10.1016/j.rechem.2025.102954
Weikai Zhang , Xiuhong Fu , Hewei Zhang , Shaozhe Zhang , Qingwei Zhang , Shuang Li , Chongkai Zhai , Jinyang Zhao , Quanzhong Yang , Cheng Han , Weifeng Yang
Targeting histone deacetylases (HDACs) holds significant potential for reversing aberrant epigenetic states associated with cancer and central nervous system (CNS) disorders. However, current HDAC inhibitors are limited by their poor CNS permeability. Imidazo[1,2-a]pyridine, a benzene-fused heterocycle, exhibits antitumor activity and excellent blood–brain barrier (BBB) penetrability. Therefore, we aimed to design and synthesize a series of novel CNS-permeable HDAC inhibitors derived from imidazo[1,2-a]pyridine, followed by a preliminary biological evaluation of the synthesized compounds. Among the compounds synthesized, IMC12 demonstrated moderate antiproliferative activity against SH-SY5Y cancer cells, with a half-maximal inhibitory concentration (IC50) of 1.604 μM, which was comparable to that of the reference drug suberoylanilide hydroxamic acid (SAHA; IC50 = 0.663 μM). Additionally, IMC12 effectively inhibited HDAC1 and HDAC6, with IC50 values of 2891 nM and 44.41 nM, respectively. Furthermore, this compound significantly suppressed the colony-forming ability of SH-SY5Y cells, a marker indicative of carcinogenesis and metastasis. These findings suggest that IMC12 exhibits higher BBB permeability compared to SAHA. Molecular docking studies further revealed that IMC12 is more selective for HDAC6 than HDAC1. Therefore, IMC12 represents a promising candidate for cancer therapy and may be developed into a potent HDAC6-selective inhibitor.
{"title":"Design, synthesis, and biological evaluation of central nervous system penetrant histone deacetylase inhibitors derived from imidazo[1,2-a] pyridine","authors":"Weikai Zhang , Xiuhong Fu , Hewei Zhang , Shaozhe Zhang , Qingwei Zhang , Shuang Li , Chongkai Zhai , Jinyang Zhao , Quanzhong Yang , Cheng Han , Weifeng Yang","doi":"10.1016/j.rechem.2025.102954","DOIUrl":"10.1016/j.rechem.2025.102954","url":null,"abstract":"<div><div>Targeting histone deacetylases (HDACs) holds significant potential for reversing aberrant epigenetic states associated with cancer and central nervous system (CNS) disorders. However, current HDAC inhibitors are limited by their poor CNS permeability. Imidazo[1,2-<em>a</em>]pyridine, a benzene-fused heterocycle, exhibits antitumor activity and excellent blood–brain barrier (BBB) penetrability. Therefore, we aimed to design and synthesize a series of novel CNS-permeable HDAC inhibitors derived from imidazo[1,2-<em>a</em>]pyridine, followed by a preliminary biological evaluation of the synthesized compounds. Among the compounds synthesized, <strong>IMC12</strong> demonstrated moderate antiproliferative activity against SH-SY5Y cancer cells, with a half-maximal inhibitory concentration (IC<sub>50</sub>) of 1.604 μM, which was comparable to that of the reference drug suberoylanilide hydroxamic acid (SAHA; IC<sub>50</sub> = 0.663 μM). Additionally, <strong>IMC12</strong> effectively inhibited HDAC1 and HDAC6, with IC<sub>50</sub> values of 2891 nM and 44.41 nM, respectively. Furthermore, this compound significantly suppressed the colony-forming ability of SH-SY5Y cells, a marker indicative of carcinogenesis and metastasis. These findings suggest that <strong>IMC12</strong> exhibits higher BBB permeability compared to SAHA. Molecular docking studies further revealed that <strong>IMC12</strong> is more selective for HDAC6 than HDAC1. Therefore, <strong>IMC12</strong> represents a promising candidate for cancer therapy and may be developed into a potent HDAC6-selective inhibitor.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102954"},"PeriodicalIF":4.2,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-06DOI: 10.1016/j.rechem.2025.102951
Hoang Van Thanh , Nguyen Van Thang , Le T.M. Cham , Nguyen Doan Tung Quan , Nguyen Dang Co , Trinh Duc Thien , Mai Van Tuan , Nguyen Huu Tuan , Duong Anh Tuan , Ho Thi Anh , Nguyen Dinh Lam
Cu2O:ZnO nanocomposites with varying Cu:Zn molar ratios (1:0 to 1:10) were synthesized via a low-temperature co-precipitation method and comprehensively characterized to establish structure - property – function relationships. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and field-emission scanning electron microscopy (FESEM) confirmed the coexistence of cubic Cu2O and hexagonal ZnO phases, with strong interfacial coupling leading to crystallite sizes of ∼25–35 nm and nanoparticle morphologies of 50–80 nm. Optical absorption analysis revealed bandgap tunability, where ZnO narrowed from 3.4 to ∼3.3 eV under interfacial strain, while Cu2O retained its ∼2.44 eV bandgap. Vibrating sample magnetometry (VSM) indicated weak ferromagnetism, attributed to defect-induced spin polarization and interface effects. Photocatalytic studies demonstrated exceptional performance, with the optimal Cu:Zn ratio (1:8) achieving 99 % degradation of RhB within 30 min, representing a 4.3-fold enhancement over pristine Cu2O, along with efficient removal of phenol and ciprofloxacin and excellent recyclability. The superior activity is ascribed to the formation of a type-II heterojunction that promotes charge separation, suppresses recombination, and enhances reactive oxygen species generation. These findings highlight the potential of Cu2O:ZnO nanocomposites as efficient and durable photocatalysts for environmental remediation, while offering new insights into interfacial strain and defect engineering for next generation heterostructures.
{"title":"Design of Cu2O:ZnO heterojunction nanocomposites with enhanced charge separation and broad-spectrum photocatalytic activity","authors":"Hoang Van Thanh , Nguyen Van Thang , Le T.M. Cham , Nguyen Doan Tung Quan , Nguyen Dang Co , Trinh Duc Thien , Mai Van Tuan , Nguyen Huu Tuan , Duong Anh Tuan , Ho Thi Anh , Nguyen Dinh Lam","doi":"10.1016/j.rechem.2025.102951","DOIUrl":"10.1016/j.rechem.2025.102951","url":null,"abstract":"<div><div>Cu<sub>2</sub>O:ZnO nanocomposites with varying Cu:Zn molar ratios (1:0 to 1:10) were synthesized via a low-temperature co-precipitation method and comprehensively characterized to establish structure - property – function relationships. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and field-emission scanning electron microscopy (FESEM) confirmed the coexistence of cubic Cu<sub>2</sub>O and hexagonal ZnO phases, with strong interfacial coupling leading to crystallite sizes of ∼25–35 nm and nanoparticle morphologies of 50–80 nm. Optical absorption analysis revealed bandgap tunability, where ZnO narrowed from 3.4 to ∼3.3 eV under interfacial strain, while Cu<sub>2</sub>O retained its ∼2.44 eV bandgap. Vibrating sample magnetometry (VSM) indicated weak ferromagnetism, attributed to defect-induced spin polarization and interface effects. Photocatalytic studies demonstrated exceptional performance, with the optimal Cu:Zn ratio (1:8) achieving 99 % degradation of RhB within 30 min, representing a 4.3-fold enhancement over pristine Cu<sub>2</sub>O, along with efficient removal of phenol and ciprofloxacin and excellent recyclability. The superior activity is ascribed to the formation of a type-II heterojunction that promotes charge separation, suppresses recombination, and enhances reactive oxygen species generation. These findings highlight the potential of Cu<sub>2</sub>O:ZnO nanocomposites as efficient and durable photocatalysts for environmental remediation, while offering new insights into interfacial strain and defect engineering for next generation heterostructures.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"19 ","pages":"Article 102951"},"PeriodicalIF":4.2,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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