Results in Chemistry最新文献

英文中文

Dye sensitized photocatalytic degradation of congo red and rhodamine B by 1,3,5-Benzenetricarboxylic acid based metal organic frameworks Ni3(BTC)2.12H2O, (Ni0.8Co0.2)3(BTC)2.12H2O and Cu3(BTC)2 under visible light

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-04 DOI: 10.1016/j.rechem.2025.102099

Kavitha Karuppiah , Anushree Raju , Anuradha Natarajan , Swedha Mohan , Dhinakaran Subramani , Kumaran Rajendran , Vanjinathan Mahalingam , Gopalakrishnan Arumugam , Samikannu Prabu , Kung-Yuh Chiang , Vasanthi Rajaraman

Photocatalytic degradation is a promising approach for the removal of organic pollutants from wastewater. This study explores the efficiency of three metal-organic frameworks (MOFs)—Ni₃(BTC)₂•12H₂O, (Ni₀.₈Co₀.₂)₃(BTC)₂•12H₂O, and Cu₃(BTC)₂—in degrading Congo Red and Rhodamine B dyes under visible light. The MOFs were synthesized via a solvothermal method using 1,3,5-benzenetricarboxylic acid (BTC) as the organic ligand. Their structures were thoroughly characterized through various techniques, including PXRD, FE-SEM, EDX, HRTEM, FT-IR, Raman spectroscopy, TGA, and BET analysis. Despite their band gap energies exceeding 3 eV, which limits direct visible light absorption, the photocatalytic degradation was successful, suggesting a dye-sensitized mechanism. Among the MOFs, Cu₃(BTC)₂ exhibited the highest degradation efficiency, achieving 99.99 % Congo Red degradation in 20 min and 5 % Rhodamine B degradation in 25 min. Optimal degradation for both dyes occurred at pH 5. The catalyst's stability was confirmed through a recyclability test across four successive cycles. The exceptional performance of Cu₃(BTC)₂ is attributed to its large surface area (1064 m²g⁻¹). The incorporation of cobalt into the (Ni₀.₈Co₀.₂)₃(BTC)₂ framework enhanced the degradation rates compared to pure Ni₃(BTC)₂. These findings underscore the potential of MOFs as effective photocatalysts for environmental remediation under visible light, offering a promising avenue for wastewater treatment.

{"title":"Dye sensitized photocatalytic degradation of congo red and rhodamine B by 1,3,5-Benzenetricarboxylic acid based metal organic frameworks Ni3(BTC)2.12H2O, (Ni0.8Co0.2)3(BTC)2.12H2O and Cu3(BTC)2 under visible light","authors":"Kavitha Karuppiah , Anushree Raju , Anuradha Natarajan , Swedha Mohan , Dhinakaran Subramani , Kumaran Rajendran , Vanjinathan Mahalingam , Gopalakrishnan Arumugam , Samikannu Prabu , Kung-Yuh Chiang , Vasanthi Rajaraman","doi":"10.1016/j.rechem.2025.102099","DOIUrl":"10.1016/j.rechem.2025.102099","url":null,"abstract":"<div><div>Photocatalytic degradation is a promising approach for the removal of organic pollutants from wastewater. This study explores the efficiency of three metal-organic frameworks (MOFs)—Ni₃(BTC)₂•12H₂O, (Ni₀.₈Co₀.₂)₃(BTC)₂•12H₂O, and Cu₃(BTC)₂—in degrading Congo Red and Rhodamine B dyes under visible light. The MOFs were synthesized via a solvothermal method using 1,3,5-benzenetricarboxylic acid (BTC) as the organic ligand. Their structures were thoroughly characterized through various techniques, including PXRD, FE-SEM, EDX, HRTEM, FT-IR, Raman spectroscopy, TGA, and BET analysis. Despite their band gap energies exceeding 3 eV, which limits direct visible light absorption, the photocatalytic degradation was successful, suggesting a dye-sensitized mechanism. Among the MOFs, Cu₃(BTC)₂ exhibited the highest degradation efficiency, achieving 99.99 % Congo Red degradation in 20 min and 5 % Rhodamine B degradation in 25 min. Optimal degradation for both dyes occurred at pH 5. The catalyst's stability was confirmed through a recyclability test across four successive cycles. The exceptional performance of Cu₃(BTC)₂ is attributed to its large surface area (1064 m<sup>2</sup>g<sup>−1</sup>). The incorporation of cobalt into the (Ni₀.₈Co₀.₂)₃(BTC)₂ framework enhanced the degradation rates compared to pure Ni₃(BTC)₂. These findings underscore the potential of MOFs as effective photocatalysts for environmental remediation under visible light, offering a promising avenue for wastewater treatment.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102099"},"PeriodicalIF":2.5,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High-efficiency PPy@MoS2 Core-Shell Heterostructure Photocatalysts for enhanced pollutant degradation activity

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-04 DOI: 10.1016/j.rechem.2025.102091

Yizhou Yang , Longlong Wei , Shengdi Luo , Xudong Yang

To combat the global energy crisis and reduce environmental pollution, nano-semiconductor photocatalysts have become widely used. In this paper, a novel core-shell heterostructure containing polypyrrole@molybdenum disulfide (PPy@MoS₂) composites was synthesized using simple oxidative polymerization and hydrothermal methods. The photocatalyst is made of pyrrole as raw material, polyvinyl alcohol as protective agent, and Fe as catalyst. Polypyrrole nanoparticles are synthesized by oxidative polymerization. Then, sodium molybdate as molybdenum source, thiourea as sulfur source, hydroxylamine hydrochloride as reducing agent, and F127 as surfactant are added as template to synthesize PPy@MoS2 with a core-shell structure and an average size of 80 nm through hydrothermal method. The PPy@MoS₂ core-shell heterostructure performs much better than pure PPy or MoS₂ in full visible spectrum. Moreover, the PPy@MoS₂ structure exhibits high photoactivity in degrading methylene blue (MB), reaching a decomposition efficiency of 99.3 %. And after being recycled and reused 5 times, its catalytic effect is still not less than 99.3 %. Besides, the prepared PPy@MoS₂ nanocomposite possesses a high specific surface area and a remarkable heterostructure interface, which easily separates holes and electrons to improve the photodegradation ability. Thus, our proposed heterostructure nanomaterial has the potential to be utilized in a multitude of applications pertaining to the protection of the natural environment, including the treatment of water and the degradation of dyes that may contaminate water sources.

{"title":"High-efficiency PPy@MoS2 Core-Shell Heterostructure Photocatalysts for enhanced pollutant degradation activity","authors":"Yizhou Yang , Longlong Wei , Shengdi Luo , Xudong Yang","doi":"10.1016/j.rechem.2025.102091","DOIUrl":"10.1016/j.rechem.2025.102091","url":null,"abstract":"<div><div>To combat the global energy crisis and reduce environmental pollution, nano-semiconductor photocatalysts have become widely used. In this paper, a novel core-shell heterostructure containing polypyrrole@molybdenum disulfide (PPy@MoS<sub>2</sub>) composites was synthesized using simple oxidative polymerization and hydrothermal methods. The photocatalyst is made of pyrrole as raw material, polyvinyl alcohol as protective agent, and Fe as catalyst. Polypyrrole nanoparticles are synthesized by oxidative polymerization. Then, sodium molybdate as molybdenum source, thiourea as sulfur source, hydroxylamine hydrochloride as reducing agent, and F127 as surfactant are added as template to synthesize PPy@MoS2 with a core-shell structure and an average size of 80 nm through hydrothermal method. The PPy@MoS<sub>2</sub> core-shell heterostructure performs much better than pure PPy or MoS<sub>2</sub> in full visible spectrum. Moreover, the PPy@MoS<sub>2</sub> structure exhibits high photoactivity in degrading methylene blue (MB), reaching a decomposition efficiency of 99.3 %. And after being recycled and reused 5 times, its catalytic effect is still not less than 99.3 %. Besides, the prepared PPy@MoS<sub>2</sub> nanocomposite possesses a high specific surface area and a remarkable heterostructure interface, which easily separates holes and electrons to improve the photodegradation ability. Thus, our proposed heterostructure nanomaterial has the potential to be utilized in a multitude of applications pertaining to the protection of the natural environment, including the treatment of water and the degradation of dyes that may contaminate water sources.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102091"},"PeriodicalIF":2.5,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Andrographolide-encapsulated nanoliposomes with gum Arabic surface modification inhibits cervical cancer growth: In vitro and in silico approaches

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-03 DOI: 10.1016/j.rechem.2025.102083

Rahmalillah Khairiah , Dwi Hudiyanti , Parsaoran Siahaan , Fadzilah Adibah Abdul Majid , Enny Fachriyah , Nor Hafizah Zakaria

Cervical cancer is still the most common cause of cancer-related deaths among women globally, despite improvements in screening and treatment. Although andrographolide (AND), a substance with significant anticancer properties, shows promise, its poor solubility and stability limit its usefulness in treating cervical cancer. This study used coconut liposomes (CL) modified with gum Arabic (GA) to create and optimize a liposomal formulation for AND in order to overcome these difficulties. Important parameters were evaluated, including drug release (DR), particle size (PS), zeta-potential (ζ-potential), encapsulation efficiency (EE), and liposomal morphology. High EE (87.7 % for CLAND and 92.9 % for CLANDGA) and suitable PS (66.2 nm for CLAND and 92.6 nm for CLANDGA) were shown by the optimised formulations, AND-loaded nanoliposomes (CLAND) and AND-loaded nanoliposomes modified with GA (CLANDGA). After GA was added, the ζ-potential readings showed good stability. The liposomes had a spherical shape with regulated DR (∼37 % over 72 h). The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenylte-trazolium bromide (MTT) experiment revealed that encapsulated AND inhibited HeLa cervical cancer cells more in comparison to free AND. Strong contact was shown by the docking score and binding energy of AND binding to the HPV 18B E6 receptor, which were determined by molecular docking and dynamic simulations to be −6.72 kcal/mol and − 90.002 kJ/mol, respectively. All things considered, this study highlights the possibility of employing AND encapsulated in nanoliposomes to successfully regulate the proliferation of cervical cancer cells.

{"title":"Andrographolide-encapsulated nanoliposomes with gum Arabic surface modification inhibits cervical cancer growth: In vitro and in silico approaches","authors":"Rahmalillah Khairiah , Dwi Hudiyanti , Parsaoran Siahaan , Fadzilah Adibah Abdul Majid , Enny Fachriyah , Nor Hafizah Zakaria","doi":"10.1016/j.rechem.2025.102083","DOIUrl":"10.1016/j.rechem.2025.102083","url":null,"abstract":"<div><div>Cervical cancer is still the most common cause of cancer-related deaths among women globally, despite improvements in screening and treatment. Although andrographolide (AND), a substance with significant anticancer properties, shows promise, its poor solubility and stability limit its usefulness in treating cervical cancer. This study used coconut liposomes (CL) modified with gum Arabic (GA) to create and optimize a liposomal formulation for AND in order to overcome these difficulties. Important parameters were evaluated, including drug release (DR), particle size (PS), zeta-potential (ζ-potential), encapsulation efficiency (EE), and liposomal morphology. High EE (87.7 % for CLAND and 92.9 % for CLANDGA) and suitable PS (66.2 nm for CLAND and 92.6 nm for CLANDGA) were shown by the optimised formulations, AND-loaded nanoliposomes (CLAND) and AND-loaded nanoliposomes modified with GA (CLANDGA). After GA was added, the ζ-potential readings showed good stability. The liposomes had a spherical shape with regulated DR (∼37 % over 72 h). The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenylte-trazolium bromide (MTT) experiment revealed that encapsulated AND inhibited HeLa cervical cancer cells more in comparison to free AND. Strong contact was shown by the docking score and binding energy of AND binding to the HPV 18B E6 receptor, which were determined by molecular docking and dynamic simulations to be −6.72 kcal/mol and − 90.002 kJ/mol, respectively. All things considered, this study highlights the possibility of employing AND encapsulated in nanoliposomes to successfully regulate the proliferation of cervical cancer cells.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102083"},"PeriodicalIF":2.5,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143225996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Combination of Ethylene glycol and TBAB-mediated pyrimidine fused heterocyclic derivatives: Synthesis, in silico, and in vitro anti-diabetic and anti-microbial studies

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-03 DOI: 10.1016/j.rechem.2025.102082

Kalyani Mallidi , Rambabu Gundla , Nagalakshmi Jeedimalla , Jayaprakash Kanijam Raghupathi , Naresh Kumar Katari , Sreekantha Babu Jonnalagadda

Pyrimidine-fused heterocyclic compounds exhibit pharmacological activity, including anti-diabetic and antibacterial, antifungal properties. This study involves the design and synthesis of pyrimidine-fused heterocyclic compounds in conjunction with ethylene glycol and TBAB. The synthesized compounds were then evaluated for their ability to inhibit the α-glucosidase enzyme and bacterial growth, aiming to reduce the consequences of diabetic mellitus (DM) and microbial infections. Antimicrobial assessments indicated that Compound VS9 exhibited efficacy against all four tested organisms: Escherichia coli, Bacillus cereus, Klebsiella pneumoniae, and Staphylococcus epidermidis. The test compounds VS9 and VS1 exhibited α-glucosidase inhibition with IC50 values of 166.52 nmol and 249.24 nmol, respectively. In silico studies, the molecule VS3 had the most favorable docking energy of −8.3 kcal/mol. Moreover, computational evaluations of drug likeness, ADME, and toxicity were conducted on the compounds, indicating that these chemical exhibits drug-like properties and possesses favorable ADME and toxicity profiles.

{"title":"Combination of Ethylene glycol and TBAB-mediated pyrimidine fused heterocyclic derivatives: Synthesis, in silico, and in vitro anti-diabetic and anti-microbial studies","authors":"Kalyani Mallidi , Rambabu Gundla , Nagalakshmi Jeedimalla , Jayaprakash Kanijam Raghupathi , Naresh Kumar Katari , Sreekantha Babu Jonnalagadda","doi":"10.1016/j.rechem.2025.102082","DOIUrl":"10.1016/j.rechem.2025.102082","url":null,"abstract":"<div><div>Pyrimidine-fused heterocyclic compounds exhibit pharmacological activity, including anti-diabetic and antibacterial, antifungal properties. This study involves the design and synthesis of pyrimidine-fused heterocyclic compounds in conjunction with ethylene glycol and TBAB. The synthesized compounds were then evaluated for their ability to inhibit the α-glucosidase enzyme and bacterial growth, aiming to reduce the consequences of diabetic mellitus (DM) and microbial infections. Antimicrobial assessments indicated that Compound VS9 exhibited efficacy against all four tested organisms: <em>Escherichia coli, Bacillus cereus, Klebsiella pneumoniae, and Staphylococcus epidermidis.</em> The test compounds VS9 and VS1 exhibited α-glucosidase inhibition with IC50 values of 166.52 nmol and 249.24 nmol, respectively. In silico studies, the molecule VS3 had the most favorable docking energy of −8.3 kcal/mol. Moreover, computational evaluations of drug likeness, ADME, and toxicity were conducted on the compounds, indicating that these chemical exhibits drug-like properties and possesses favorable ADME and toxicity profiles.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102082"},"PeriodicalIF":2.5,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A highly active, low-cost CoZn ferrite electrocatalyst in oxygen reduction reactions

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-03 DOI: 10.1016/j.rechem.2025.102095

Qurat-Ul-Ain , Fawad Ahmad , Muhammad Irfan , Muhammad Imran Khan , Komal Ali Rao , Naseem Akhter , Abdallah Shanableh , Muhammad Babar Taj , Leonid G. Voskressensky , Rafael Luque

Fuel cell technology offers a promising alternative to fossil fuel combustion, providing a clean, eco-friendly and a more efficient energy source. However, the oxygen reduction reaction (ORR) is the most sluggish reaction within fuel cells. A bimetallic iron ferrite material (BMIF) has been developed as a less costly alternative compared to Pt-based electrodes with high electrochemical activity. The particle size of BMIF ranges from 0.08 to 0.3 μm, and its spinel structure has been confirmed through FTIR and XRD analysis. TGA shows high thermal stability of catalyst. Spinel structure remained unchanged even after electrochemical analysis as confirmed by FTIR. With increasing electrolyte concentration, the cathodic peak current decreases in accordance with De-Bye Huckle Limiting law. Onset potential for BMIF is 0.0296 V vs. RHE, significantly lower than that of Pt, which is 0.783 V vs. RHE. Additionally, the mass activity of BMIF at −0.998 V is 253 mA mg⁻¹, surpassing that of Pt/C (96.9 mA mg⁻¹

Chronoamperometry result shows appreciable durability of BMIF as initially for only 1 min current density was declined and then no further decline was observed till 1000s.

{"title":"A highly active, low-cost CoZn ferrite electrocatalyst in oxygen reduction reactions","authors":"Qurat-Ul-Ain , Fawad Ahmad , Muhammad Irfan , Muhammad Imran Khan , Komal Ali Rao , Naseem Akhter , Abdallah Shanableh , Muhammad Babar Taj , Leonid G. Voskressensky , Rafael Luque","doi":"10.1016/j.rechem.2025.102095","DOIUrl":"10.1016/j.rechem.2025.102095","url":null,"abstract":"<div><div>Fuel cell technology offers a promising alternative to fossil fuel combustion, providing a clean, eco-friendly and a more efficient energy source. However, the oxygen reduction reaction (ORR) is the most sluggish reaction within fuel cells. A bimetallic iron ferrite material (BMIF) has been developed as a less costly alternative compared to Pt-based electrodes with high electrochemical activity. The particle size of BMIF ranges from 0.08 to 0.3 μm, and its spinel structure has been confirmed through FTIR and XRD analysis. TGA shows high thermal stability of catalyst. Spinel structure remained unchanged even after electrochemical analysis as confirmed by FTIR. With increasing electrolyte concentration, the cathodic peak current decreases in accordance with De-Bye Huckle Limiting law. Onset potential for BMIF is 0.0296 V vs. RHE, significantly lower than that of Pt, which is 0.783 V vs. RHE. Additionally, the mass activity of BMIF at −0.998 V is 253 mA mg<sup>−1</sup>, surpassing that of Pt/C (96.9 mA mg<sup>−1</sup></div><div>Chronoamperometry result shows appreciable durability of BMIF as initially for only 1 min current density was declined and then no further decline was observed till 1000s.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102095"},"PeriodicalIF":2.5,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comprehensive toxicity assessment of silver nanoparticles on Bacteria, human vein endothelial cells, and Caenorhabditis Elegans

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-02 DOI: 10.1016/j.rechem.2025.102092

Bircan Dinç

Silver nanoparticles (AgNPs) exhibit concentration-dependent toxicity across multiple biological systems. In this study, it was investigated the effects of AgNPs on bacteria (Escherichia coli and Bacillus subtilis), a model organism (Caenorhabditis elegans), and human vein endothelial cells (HUVECs) at low concentrations (10, 30, and 50 μg/mL).

The AgNPs were synthesized using a chemical reduction method and thoroughly characterized, showing a hydrodynamic size of 55 nm, a zeta potential of −57 mV, and thermal decomposition temperatures ranging from 182 to 318 °C. Our results revealed a significant inhibition of bacterial growth (52 % at 50 μg/mL), a 25 % reduction in C. elegans reproduction at just 10 μg/mL, and a decrease in body bending frequency from 42 to 19 beats per minute. In HUVEC cells, the IC50 was found to be 38 μg/mL, with cellular uptake increasing proportionally to concentration after 48 h.

This study highlights the unique toxicological profile of AgNPs at low concentrations across multiple biological systems, emphasizing the importance of careful consideration for their safe use in biomedical and environmental applications.

{"title":"Comprehensive toxicity assessment of silver nanoparticles on Bacteria, human vein endothelial cells, and Caenorhabditis Elegans","authors":"Bircan Dinç","doi":"10.1016/j.rechem.2025.102092","DOIUrl":"10.1016/j.rechem.2025.102092","url":null,"abstract":"<div><div>Silver nanoparticles (AgNPs) exhibit concentration-dependent toxicity across multiple biological systems. In this study, it was investigated the effects of AgNPs on bacteria (<em>Escherichia coli</em> and <em>Bacillus subtilis</em>), a model organism (<em>Caenorhabditis elegans</em>), and human vein endothelial cells (HUVECs) at low concentrations (10, 30, and 50 μg/mL).</div><div>The AgNPs were synthesized using a chemical reduction method and thoroughly characterized, showing a hydrodynamic size of 55 nm, a zeta potential of −57 mV, and thermal decomposition temperatures ranging from 182 to 318 °C. Our results revealed a significant inhibition of bacterial growth (52 % at 50 μg/mL), a 25 % reduction in <em>C. elegans</em> reproduction at just 10 μg/mL, and a decrease in body bending frequency from 42 to 19 beats per minute. In HUVEC cells, the IC50 was found to be 38 μg/mL, with cellular uptake increasing proportionally to concentration after 48 h.</div><div>This study highlights the unique toxicological profile of AgNPs at low concentrations across multiple biological systems, emphasizing the importance of careful consideration for their safe use in biomedical and environmental applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102092"},"PeriodicalIF":2.5,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143155932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A simple route to 7-substituted Quinolin-2(1H)-ones from Meta-substituted anilines

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-01 DOI: 10.1016/j.rechem.2025.102089

Marisol Varela Ausec , Mary K. Payne , Jason R. Stewart , Olivia M. Galando , Eliott J. Wright , Sara E.S. Martin

Meta-substituted anilines are condensed with methyl 3,3-dimethoxypropionate in a two-step acylation, cyclization sequence to preferentially form 7-substituted quinolinones in an isomeric mixture with 5-substituted quinolinones. The product ratios in this previously unexplored class of substrates depend on the steric and electronic properties of the aniline substituent. Within a series of halogenated anilines, selectivity varies directly with electronegativity and inversely with C–X bond length, up to 93:7 (R = F). For alkyl substituted anilines, a Charton analysis reveals a linear free-energy relationship between steric bulk of the alkyl substituent and selectivity for 7-substituted products, where selectivity for 7-substituted products increases with steric bulk of the alkyl substituent. Alkyl substituted quinolinones are generated with up to 97:3 selectivity for the 7-substituted product when R = ^tBu.

引用次数: 0

GC–MS analysis and in silico approaches to Stichopus hermanii as anti-inflammatory through PKC-β inhibition

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-01 DOI: 10.1016/j.rechem.2025.102086

Kurnia Fatwati , Asmawati Amin , Lenni Indriani , Rusdina Bte Ladju , Fuad Husain Akbar , Nurlindah Hamrun

Targeting the NF-κB signaling pathway is an interesting approach for anti-inflammatory therapy. Inhibition of the PKC-β pathway has shown to reducing NF-κB activity. In silico studies using molecular docking techniques used to determine the potential

of Stichopus hermanii as an anti-inflammatory agent are based on PKC-β interactions.The extract was identified via GC–MS to determine the active compound of Stichopus hermanii. The interactions of the active compounds between Stichopus hermanii and the PKC-β receptor were analyzed via PyRx ver.0.8 then visualized via the Biovia v21.1.0.20298 software application. The pharmacokinetic properties were predicted via pkCSM (http://biosig.unimelb.edu.au/pkcsm/). Drug likeness property testing is performed by Lipinski's rule of five http://www.scfbio-iitd.res.in/software/drugdesign/lipinski.jsp. GC–MS analysis revealed the compounds in Stichopus hermanii extract have benefits as anti-inflammatory agents. Analysis of the pharmacokinetic, toxicity and drug-likeness properties revealed that the Stichopus hermanii content has appropriate activity and is nontoxic compared with Ruboxistaurin. Stichopus hermanii have the potential to be candidates for anti- inflammatory drug development through PKC-β inhibition. These compounds with preeminent potential are 1H-Pyrazole, 1,5-dimethyl-; 9-Octadecenoic acid, (E)-; Hexadecanoic acid, methyl ester; 6-Octadecenoic acid and α-Tocopheryl acetate. Through ADMET prediction tests, these compounds exhibited better pharmacokinetics activity and non- toxic.

{"title":"GC–MS analysis and in silico approaches to Stichopus hermanii as anti-inflammatory through PKC-β inhibition","authors":"Kurnia Fatwati , Asmawati Amin , Lenni Indriani , Rusdina Bte Ladju , Fuad Husain Akbar , Nurlindah Hamrun","doi":"10.1016/j.rechem.2025.102086","DOIUrl":"10.1016/j.rechem.2025.102086","url":null,"abstract":"<div><div>Targeting the NF-κB signaling pathway is an interesting approach for anti-inflammatory therapy. Inhibition of the PKC-β pathway has shown to reducing NF-κB activity. In silico studies using molecular docking techniques used to determine the potential</div><div>of Stichopus hermanii as an anti-inflammatory agent are based on PKC-β interactions.The extract was identified via GC–MS to determine the active compound of Stichopus hermanii. The interactions of the active compounds between Stichopus hermanii and the PKC-β receptor were analyzed via PyRx ver.0.8 then visualized via the Biovia v21.1.0.20298 software application. The pharmacokinetic properties were predicted via pkCSM (<span><span>http://biosig.unimelb.edu.au/pkcsm/</span><svg><path></path></svg></span>). Drug likeness property testing is performed by Lipinski's rule of five <span><span>http://www.scfbio-iitd.res.in/software/drugdesign/lipinski.jsp</span><svg><path></path></svg></span>. GC–MS analysis revealed the compounds in Stichopus hermanii extract have benefits as anti-inflammatory agents. Analysis of the pharmacokinetic, toxicity and drug-likeness properties revealed that the <em>Stichopus hermanii</em> content has appropriate activity and is nontoxic compared with Ruboxistaurin. <em>Stichopus hermanii</em> have the potential to be candidates for anti- inflammatory drug development through PKC-β inhibition. These compounds with preeminent potential are <em>1H-Pyrazole, 1,5-dimethyl-; 9-Octadecenoic acid, (E)-; Hexadecanoic acid, methyl ester; 6-Octadecenoic acid</em> and <em>α-Tocopheryl acetate</em>. Through ADMET prediction tests, these compounds exhibited better pharmacokinetics activity and non- toxic.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102086"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Removal of minocycline from wastewater via Co/Zn-MOFs -derived porous carbon materials as adsorbents

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-01 DOI: 10.1016/j.rechem.2025.102094

Fuhua Wei , Peng Chen , Qinhui Ren , Qin Zhang , Wei Shang , Diaodiao Zhang , Min Li , Zhao Liang

The Co/Zn-MOFs material was synthesized successfully via the solvothermal method and then underwent calcination at 900 °C. To investigate its structural properties, multiple characterization techniques were applied, such as scanning electron microscopy (SEM), Fourier-transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), and nitrogen adsorption-desorption isotherms. These analyses aimed to assess the features of the carbon material for its efficacy in minocycline removal. The experimental findings demonstrated that the ideal conditions for maximizing minocycline adsorption on the carbon material obtained from Co/Zn-MOFs comprised a dosage of 20 mg, a solution concentration of 50 ppm, and a pH level of 10. Furthermore, kinetic studies revealed that the pseudo-second-order model accurately represented the experimental data. In conclusion, this research underscores the remarkable adsorption capability of the carbon material derived from Co/Zn-MOFs for minocycline, indicating potential applications in environmental cleanup and presenting an innovative approach for environmental preservation.

{"title":"Removal of minocycline from wastewater via Co/Zn-MOFs -derived porous carbon materials as adsorbents","authors":"Fuhua Wei , Peng Chen , Qinhui Ren , Qin Zhang , Wei Shang , Diaodiao Zhang , Min Li , Zhao Liang","doi":"10.1016/j.rechem.2025.102094","DOIUrl":"10.1016/j.rechem.2025.102094","url":null,"abstract":"<div><div>The Co/Zn-MOFs material was synthesized successfully via the solvothermal method and then underwent calcination at 900 °C. To investigate its structural properties, multiple characterization techniques were applied, such as scanning electron microscopy (SEM), Fourier-transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), and nitrogen adsorption-desorption isotherms. These analyses aimed to assess the features of the carbon material for its efficacy in minocycline removal. The experimental findings demonstrated that the ideal conditions for maximizing minocycline adsorption on the carbon material obtained from Co/Zn-MOFs comprised a dosage of 20 mg, a solution concentration of 50 ppm, and a pH level of 10. Furthermore, kinetic studies revealed that the pseudo-second-order model accurately represented the experimental data. In conclusion, this research underscores the remarkable adsorption capability of the carbon material derived from Co/Zn-MOFs for minocycline, indicating potential applications in environmental cleanup and presenting an innovative approach for environmental preservation.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102094"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143226195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design, theoretical approaches and new framework of pyrazolo[3,4-d]pyrimidine as potent anticancer agents: Efficient synthesis, ADME-T and molecular docking

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2025-02-01 DOI: 10.1016/j.rechem.2025.102093

Peduri Suresh Reddy , Thuraka Sekhar , Pinnu Thriveni , Gandla Mahesh Kumar , Allaka Tejeswara Rao , Mohammad Raish , Tota Giridhar , Gudipati Srinivasulu

Novel 1,3,4-thiadiazole-based pyrazolo[3,4-d]pyrimidine derivatives (7a–7 l) were synthesised in this study, and their structures were ascertained utilizing a range of spectroscopic methods, including HREI-MS, IR, and NMR (¹H/¹³C). They showed especially strong activity (IC₅₀ range 1.56–44 μM). With IC₅₀ values of 2.49 ± 1.9, 1.56 ± 1.3, and 2.97 ± 2.6 μM against Caco-2, HCT116, and A549 cell lines, respectively, compound 7f demonstrated the strongest anticancer properties among all synthesised compounds when compared to the conventional medication doxorubicin (IC₅₀ = 3.10 to 3.32 μM). Additionally, the anchoring function of the 1,3,4-thiadiazole-substituted pyrazolo[3,4-d]pyrimidine moiety in interacting with anticancer targets and hydrophobic interaction with the essential amino acid residues has been highlighted by molecular modeling studies. The study shows how certain residues from the colorectal cancer mutant (1WCH) interact with each other in a way that is stable. Furthermore, these compounds intriguing therapeutic potential is highlighted by their favorable drug-likeness and ADME-Tox characteristics, which call for more research into possible clinical applications. These compounds are attractive candidates for further investigation in the search for new therapeutic agents due to their diverse actions, which include anticancer qualities.

{"title":"Design, theoretical approaches and new framework of pyrazolo[3,4-d]pyrimidine as potent anticancer agents: Efficient synthesis, ADME-T and molecular docking","authors":"Peduri Suresh Reddy , Thuraka Sekhar , Pinnu Thriveni , Gandla Mahesh Kumar , Allaka Tejeswara Rao , Mohammad Raish , Tota Giridhar , Gudipati Srinivasulu","doi":"10.1016/j.rechem.2025.102093","DOIUrl":"10.1016/j.rechem.2025.102093","url":null,"abstract":"<div><div>Novel 1,3,4-thiadiazole-based pyrazolo[3,4-<em>d</em>]pyrimidine derivatives (<strong>7a–7</strong> <strong>l</strong>) were synthesised in this study, and their structures were ascertained utilizing a range of spectroscopic methods, including HREI-MS, IR, and NMR (<sup>1</sup>H/<sup>13</sup>C). They showed especially strong activity (IC<sub>50</sub> range 1.56–44 μM). With IC<sub>50</sub> values of 2.49 ± 1.9, 1.56 ± 1.3, and 2.97 ± 2.6 μM against Caco-2, HCT116, and A549 cell lines, respectively, compound <strong>7f</strong> demonstrated the strongest anticancer properties among all synthesised compounds when compared to the conventional medication doxorubicin (IC<sub>50</sub> = 3.10 to 3.32 μM). Additionally, the anchoring function of the 1,3,4-thiadiazole-substituted pyrazolo[3,4-<em>d</em>]pyrimidine moiety in interacting with anticancer targets and hydrophobic interaction with the essential amino acid residues has been highlighted by molecular modeling studies. The study shows how certain residues from the colorectal cancer mutant (1WCH) interact with each other in a way that is stable. Furthermore, these compounds intriguing therapeutic potential is highlighted by their favorable drug-likeness and ADME-Tox characteristics, which call for more research into possible clinical applications. These compounds are attractive candidates for further investigation in the search for new therapeutic agents due to their diverse actions, which include anticancer qualities.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"14 ","pages":"Article 102093"},"PeriodicalIF":2.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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