A novel series of indole thiosemicarbazone was designed, synthesized and screened for anticancer activities against cervical (HeLa), colon (HCT-15) and glioblastoma (U87-MG) cancer cells. Among the synthesized compounds, the compound 7h [(Z)-1-((1-(2-(trifluoromethoxy)benzyl)-1H-indol-3-yl)methylene)-4-tert-butyl-thiosemicarbazide] exhibited potential anticancer activities to all considered cell lines owing to its structural advantages, which were related to the electron-donating groups in the benzene rings. The compound 7h possessed the highest anticancer activities toward HeLa (IC50=15.4 µM), HCT-15 (IC50=36.8 µM) and U87-MG (IC50=10.2 µM) with high specificity and lower toxicity to the normal cell line L929 (IC50=225.8 µM), which is comparable to the standard anticancer drug Cisplatin. The compound 7h induced both intrinsic and extrinsic apoptosis in the cancer cells, which was confirmed by the cleavage of PARP, caspase 3 and caspase 9.
{"title":"Novel synthesis and anticancer screening of indole substituted thiosemicarbazone against HeLa, HCT-15 and U87-MG","authors":"Salunke Kalidas Sopan (Data curation Investigation) , Abhishek Srivastava (Formal analysis) , Sachin Srivastava (Validation) , Ram Kishore (Methodology Supervision) , Nitin Srivastava (Writing – review & editing)","doi":"10.1080/10426507.2025.2571649","DOIUrl":"10.1080/10426507.2025.2571649","url":null,"abstract":"<div><div>A novel series of indole thiosemicarbazone was designed, synthesized and screened for anticancer activities against cervical (HeLa), colon (HCT-15) and glioblastoma (U87-MG) cancer cells. Among the synthesized compounds, the compound <strong>7h</strong> [(Z)-1-((1-(2-(trifluoromethoxy)benzyl)-1H-indol-3-yl)methylene)-4-tert-butyl-thiosemicarbazide] exhibited potential anticancer activities to all considered cell lines owing to its structural advantages, which were related to the electron-donating groups in the benzene rings. The compound <strong>7h</strong> possessed the highest anticancer activities toward HeLa (IC<sub>50</sub>=15.4 µM), HCT-15 (IC<sub>50</sub>=36.8 µM) and U87-MG (IC<sub>50</sub>=10.2 µM) with high specificity and lower toxicity to the normal cell line L929 (IC<sub>50</sub>=225.8 µM), which is comparable to the standard anticancer drug Cisplatin. The compound <strong>7h</strong> induced both intrinsic and extrinsic apoptosis in the cancer cells, which was confirmed by the cleavage of PARP, caspase 3 and caspase 9.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1084-1096"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This research aims to synthesize, analyze, and understand the redox properties of sulfamethazine-based dyes, with a particular focus on their electrochemical reactions on carbon paste electrodes (CPE). Three novel azo dyes were synthesized through a two-step process. Firstly, the diazonium salt of sulfamethazine was prepared. Subsequently, this diazonium salt was coupled with three coupling compounds: β-naphthol, α-naphthol, and 6-bromo-2-naphthol, resulting in the formation of the respective azo dyes. The structures of the synthesized colorants were elucidated using a combination of spectroscopic techniques, including FT-IR, 1H NMR, UV-Vis, and mass spectrometry. The UV-vis spectra of synthesized colorants were determined in two solvents (DMF & DMSO) between 200 and 800 nm, with the most significant absorption occurring at around 482–487 nm. Cyclic voltammetry (CV) was employed to investigate the electrochemical properties of the synthesized azo colorant at CPE. It was observed that the current corresponding to the reduction peaks of azo compounds showed a substantial change as the scan rate increased. Moreover, the plots of peak current (Ipc) versus scan rate (ν) demonstrated that the process was adsorption-controlled. In addition to that the impact of concentration of analyte(dyes) and sulfuric acid (supporting electrolyte) was also studied. Fluorescence properties were further investigated in two solvent systems, DMSO and DMF. Notably, compounds M1&M2 displayed significantly enhanced fluorescence intensities and quantum yields in both media.
{"title":"Sulfamethazine-based azo dyes: synthesis, structural, electrochemical and fluorescence studies","authors":"Sneha Parameshwarappa (Formal analysis Investigation Methodology Resources Validation Visualization Writing – original draft Writing – review & editing) , Keerthikumar T Chinnagiri (Formal analysis Investigation Methodology Supervision Validation Writing – original draft Writing – review & editing), Ramya kumari T Chinnagiri (Formal analysis Software Validation Writing – original draft) , Nirupananda Swamy (Formal analysis)","doi":"10.1080/10426507.2025.2560490","DOIUrl":"10.1080/10426507.2025.2560490","url":null,"abstract":"<div><div>This research aims to synthesize, analyze, and understand the redox properties of sulfamethazine-based dyes, with a particular focus on their electrochemical reactions on carbon paste electrodes (CPE). Three novel azo dyes were synthesized through a two-step process. Firstly, the diazonium salt of sulfamethazine was prepared. Subsequently, this diazonium salt was coupled with three coupling compounds: β-naphthol, α-naphthol, and 6-bromo-2-naphthol, resulting in the formation of the respective azo dyes. The structures of the synthesized colorants were elucidated using a combination of spectroscopic techniques, including FT-IR, 1H NMR, UV-Vis, and mass spectrometry. The UV-vis spectra of synthesized colorants were determined in two solvents (DMF & DMSO) between 200 and 800 nm, with the most significant absorption occurring at around 482–487 nm. Cyclic voltammetry (CV) was employed to investigate the electrochemical properties of the synthesized azo colorant at CPE. It was observed that the current corresponding to the reduction peaks of azo compounds showed a substantial change as the scan rate increased. Moreover, the plots of peak current (Ipc) versus scan rate (ν) demonstrated that the process was adsorption-controlled. In addition to that the impact of concentration of analyte(dyes) and sulfuric acid (supporting electrolyte) was also studied. Fluorescence properties were further investigated in two solvent systems, DMSO and DMF. Notably, compounds M1&M2 displayed significantly enhanced fluorescence intensities and quantum yields in both media.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 973-984"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-02Epub Date: 2025-08-22DOI: 10.1080/10426507.2025.2551069
C. Rajaravi (Conceptualization Methodology Supervision Visualization Writing – review & editing) , U. Elaiyarasan (Conceptualization Investigation Methodology Project administration Validation Writing – original draft)
A356 is a lightweight and high-strength aluminum alloy with excellent corrosion resistance, widely used in aerospace, automotive, and marine applications. However, machining of titanium diboride (TiB2)-reinforced A356 aluminum alloy using unconventional machining methods remains challenging due to the high thermal conductivity and low electrical conductivity, affecting machining efficiency and surface integrity. This study investigates electrical discharge machining (EDM) of A356-10TiB2 composite fabricated via stir casting, using neem oil dielectric fluid. The composite exhibited a hardness of 78.33 BHN. The EDM process was optimized using response surface methodology (RSM) to minimize surface roughness (SR) and maximize material removal rate (MRR) by varying supplied current (SC), pulse on time (Ton), and pulse off time (Toff). The correlation coefficients for MRR and SR were 99.07% and 99.91%, respectively. MRR and SR initially increased with SC, Ton, and Toff but decreased at higher levels. Higher SC and Ton increased ionization temperature, enhancing MRR, while lower values caused cracks and globules. Optimal parameters (SC = 10 A, Ton = 62 µs, Toff = 7 µs) yielded a maximum MRR of 0.211 g/min and minimum SR of 4.34 µm. The optimization error was 1.9% (MRR) and 3.97% (SR), with desirability score of 0.9865 confirming the reliability of the models.
A356是一种轻质高强铝合金，具有优异的耐腐蚀性，广泛用于航空航天，汽车和船舶应用。然而，采用非常规的加工方法加工二硼化钛（TiB2）增强A356铝合金，由于其高导热性和低导电性，影响了加工效率和表面完整性，仍然具有挑战性。研究了搅拌铸造A356-10TiB2复合材料在印楝油介质下的电火花加工。复合材料的硬度为78.33 BHN。利用响应面法（RSM）优化电火花加工工艺，通过改变供电电流（SC）、脉冲接通时间（Ton）和脉冲关闭时间（Toff）来最小化表面粗糙度（SR）和最大化材料去除率（MRR）。MRR和SR的相关系数分别为99.07%和99.91%。MRR和SR最初随着SC、Ton和Toff的增加而增加，但随着SC、Ton和Toff的增加而降低。较高的SC和Ton增加了电离温度，提高了MRR，而较低的SC和Ton则导致了裂缝和球团。最佳参数（SC = 10 A, Ton = 62µs, Toff = 7µs）的最大MRR为0.211 g/min，最小SR为4.34µm。优化误差为1.9% （MRR）和3.97% (SR)，理想评分为0.9865，证实了模型的可靠性。
{"title":"Parametric optimization of electro discharge machining for A356/TiB2 composite using neem oil dielectric: Machining performance and surface morphology analysis","authors":"C. Rajaravi (Conceptualization Methodology Supervision Visualization Writing – review & editing) , U. Elaiyarasan (Conceptualization Investigation Methodology Project administration Validation Writing – original draft)","doi":"10.1080/10426507.2025.2551069","DOIUrl":"10.1080/10426507.2025.2551069","url":null,"abstract":"<div><div>A356 is a lightweight and high-strength aluminum alloy with excellent corrosion resistance, widely used in aerospace, automotive, and marine applications. However, machining of titanium diboride (TiB<sub>2</sub>)-reinforced A356 aluminum alloy using unconventional machining methods remains challenging due to the high thermal conductivity and low electrical conductivity, affecting machining efficiency and surface integrity. This study investigates electrical discharge machining (EDM) of A356-10TiB<sub>2</sub> composite fabricated <em>via</em> stir casting, using neem oil dielectric fluid. The composite exhibited a hardness of 78.33 BHN. The EDM process was optimized using response surface methodology (RSM) to minimize surface roughness (SR) and maximize material removal rate (MRR) by varying supplied current (SC), pulse on time (T<sub>on</sub>), and pulse off time (T<sub>off</sub>). The correlation coefficients for MRR and SR were 99.07% and 99.91%, respectively. MRR and SR initially increased with SC, T<sub>on</sub>, and T<sub>off</sub> but decreased at higher levels. Higher SC and T<sub>on</sub> increased ionization temperature, enhancing MRR, while lower values caused cracks and globules. Optimal parameters (SC = 10 A, T<sub>on</sub> = 62 µs, T<sub>off</sub> = 7 µs) yielded a maximum MRR of 0.211 g/min and minimum SR of 4.34 µm. The optimization error was 1.9% (MRR) and 3.97% (SR), with desirability score of 0.9865 confirming the reliability of the models.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 905-914"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-02Epub Date: 2025-09-22DOI: 10.1080/10426507.2025.2564382
Hussein Ali Al-Bahrani (Data curation Investigation Methodology Writing – original draft) , Ahmed Aldulaimi (Data curation Investigation Software Validation) , Jameel M. A. Sulaiman (Formal analysis Investigation Resources Software) , Rafid Jihad Albadr (Resources Software Validation Writing – original draft) , Waam Mohammed Taher (Conceptualization Formal analysis Methodology Resources) , Mariem Alwan (Data curation Formal analysis Methodology) , Hiba Mushtaq (Data curation Resources Software Validation Visualization) , Aseel Smerat (Conceptualization Supervision Validation Writing – review & editing) , Mohammed Akbar (Conceptualization Investigation Methodology Software) , Ahmed Mahal (Conceptualization Data curation Resources Software) , Hadil Faris Alotaibi (Methodology Software Validation Visualization)
First-principles calculations were undertaken for the sake of comparing the adhesion of a number of heavy metal ions (HMIs), like Hg2+, Cd2+, and Pb2+, in wastewaters onto aluminum carbide monolayer (hereafter AlCML) for maximizing the potential of this monolayer in disposing these HMIs in wastewaters. As the simulation results showed, because of the attractive interactions between HMIs and the AlCML, the AlCML can be considered a promising adhesion material for these HMIs. The Al site was the ideal site for the adhesion of these ions, based on the most negative adhesion energy. The value of adhesion energy for the metal’s Cd2+, Pb2+, and Hg2+at the most stable site on the nanosheet was found to be −3.34, −4.56, and −0.83 eV, respectively. The attractive interactions were regarded as chemisorption, having a close relationship with charge transport. The charge transfer values for Cd2+ and Pb2+ were found to be 0.421e and 0.396e, respectively. The adhesion was facilitated due to the orbital hybridization between the p and d states of the ions and the p state of the Al atoms. Ultimately, the findings demonstrated the possibility of using the AlCML in order remove Pb2+ and Cd2+ from wastewaters.
{"title":"Removal of heavy metal ions in wastewater by using aluminum carbide (AlC) monolayer","authors":"Hussein Ali Al-Bahrani (Data curation Investigation Methodology Writing – original draft) , Ahmed Aldulaimi (Data curation Investigation Software Validation) , Jameel M. A. Sulaiman (Formal analysis Investigation Resources Software) , Rafid Jihad Albadr (Resources Software Validation Writing – original draft) , Waam Mohammed Taher (Conceptualization Formal analysis Methodology Resources) , Mariem Alwan (Data curation Formal analysis Methodology) , Hiba Mushtaq (Data curation Resources Software Validation Visualization) , Aseel Smerat (Conceptualization Supervision Validation Writing – review & editing) , Mohammed Akbar (Conceptualization Investigation Methodology Software) , Ahmed Mahal (Conceptualization Data curation Resources Software) , Hadil Faris Alotaibi (Methodology Software Validation Visualization)","doi":"10.1080/10426507.2025.2564382","DOIUrl":"10.1080/10426507.2025.2564382","url":null,"abstract":"<div><div>First-principles calculations were undertaken for the sake of comparing the adhesion of a number of heavy metal ions (HMIs), like Hg<sup>2+</sup>, Cd<sup>2+</sup>, and Pb<sup>2+</sup>, in wastewaters onto aluminum carbide monolayer (hereafter AlCML) for maximizing the potential of this monolayer in disposing these HMIs in wastewaters. As the simulation results showed, because of the attractive interactions between HMIs and the AlCML, the AlCML can be considered a promising adhesion material for these HMIs. The Al site was the ideal site for the adhesion of these ions, based on the most negative adhesion energy. The value of adhesion energy for the metal’s Cd<sup>2+</sup>, Pb<sup>2+</sup>, and Hg<sup>2+</sup>at the most stable site on the nanosheet was found to be −3.34, −4.56, and −0.83 eV, respectively. The attractive interactions were regarded as chemisorption, having a close relationship with charge transport. The charge transfer values for Cd<sup>2+</sup> and Pb<sup>2+</sup> were found to be 0.421e and 0.396e, respectively. The adhesion was facilitated due to the orbital hybridization between the <em>p</em> and <em>d</em> states of the ions and the <em>p</em> state of the Al atoms. Ultimately, the findings demonstrated the possibility of using the AlCML in order remove Pb<sup>2+</sup> and Cd<sup>2+</sup> from wastewaters.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1013-1020"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this work, a straightforward and eco-friendly process has been adopted for the preparation of novel sulfonyl benzamides incorporating 1,2,3,4-tetrahydroisoquinoline and 4-phenylpiperazine moieties. The synthesis was efficiently carried out in a one-pot reaction using Preyssler heteropolyacid H14[NaP5W30O110] as a green, heterogeneous catalyst. This method afforded the target compounds in good yields of up to 88% by coupling selected benzoylating agents with sulfonamides under mild conditions. The structures of the synthesized products were confirmed by standard spectroscopic data (1H NMR,13C NMR, and MS) and elemental analysis. Additionally, DFT calculations at the B3LYP/6–311G (d,p) level were employed to explore the electronic properties, reactivity, and stability of the compounds based on HOMO and LUMO energy values. In silico molecular docking studies were conducted to assess the binding interactions between the synthesized sulfonyl benzamide-heterocyclic compounds and the human glucokinase protein (PDB ID: 3IMX). All compounds demonstrated favorable binding affinities, with docking scores reaching up to −10.8 kcal/mol at the active site of 3IMX. These results suggest that the newly developed sulfonyl benzamide derivatives hold promise as potential antidiabetic agents. Furthermore, their pharmacokinetic properties were assessed through ADME/T predictions, providing additional insight into their drug-likeness and therapeutic potential.
{"title":"Synthesis, characterization, DFT, and molecular docking of 1,2,3,4-tetrahydro-isoquinoline/4-phenylpiperazine-sulfonyl benzamide derivatives as possible antidiabetic agents","authors":"Chafika Bougheloum (Conceptualization Formal analysis Investigation Methodology Software Supervision Validation Visualization Writing – original draft Writing – review & editing) , Soumaya Bouskia (Conceptualization Formal analysis Investigation Methodology Software Writing – original draft) , Samia Guezane Lakoud (Investigation Supervision Visualization Writing – original draft Writing – review & editing)","doi":"10.1080/10426507.2025.2571644","DOIUrl":"10.1080/10426507.2025.2571644","url":null,"abstract":"<div><div>In this work, a straightforward and eco-friendly process has been adopted for the preparation of novel sulfonyl benzamides incorporating 1,2,3,4-tetrahydroisoquinoline and 4-phenylpiperazine moieties. The synthesis was efficiently carried out in a one-pot reaction using Preyssler heteropolyacid H<sub>14</sub>[NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>] as a green, heterogeneous catalyst. This method afforded the target compounds in good yields of up to 88% by coupling selected benzoylating agents with sulfonamides under mild conditions. The structures of the synthesized products were confirmed by standard spectroscopic data (<sup>1</sup>H NMR,<sup>13</sup>C NMR, and MS) and elemental analysis. Additionally, DFT calculations at the B3LYP/6–311G (d,p) level were employed to explore the electronic properties, reactivity, and stability of the compounds based on HOMO and LUMO energy values. <em>In silico</em> molecular docking studies were conducted to assess the binding interactions between the synthesized sulfonyl benzamide-heterocyclic compounds and the human glucokinase protein (PDB ID: 3IMX). All compounds demonstrated favorable binding affinities, with docking scores reaching up to −10.8 kcal/mol at the active site of 3IMX. These results suggest that the newly developed sulfonyl benzamide derivatives hold promise as potential antidiabetic agents. Furthermore, their pharmacokinetic properties were assessed through ADME/T predictions, providing additional insight into their drug-likeness and therapeutic potential.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1038-1053"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Organotellurium (IV) compounds 1-hydroxo-1-nitrato-2-methyl-1-telluracyclopentane [C4H7(CH3)Te(OH)(NO3)] (1), µ-oxo-bis[1-nitrato-1,1-diethyltellurium(IV)] [(C2H5)2Te(NO3)]2O (2), spirooxalato-1-telluracyclopentane C4H8Te(C2O4) (3), and 1,1-oxalato-1,1-diethyltellurium(IV) (C2H5)2Te(C2O4) (4) were synthesized. Compounds 1 and 2 were synthesized by the reactions of R2TeI2, [R2 = C4H7(CH3), (C2H5)2] with silver nitrate respectively in a 1:2 molar ratio in an aqueous medium at room temperature. Compounds 3 and 4 were synthesized by the reaction of R2TeI2 [R2 = C4H8 and (C2H5)2] with silver salt of oxalic acid respectively in a 1:1 molar ratio at room temperature. The synthesized telluroxanes 1–4 were characterized by elemental analysis, spectroscopic methods and single-crystal X-ray diffraction studies. Crystal structure of [(C2H5)2Te(NO3)]2O is reported.
{"title":"Synthesis and spectral characterization of telluroxanes [C4H7(CH3)Te(OH)(NO3)], [(C2H5)2Te(NO3)]2O, C4H8Te(C2O4), and (C2H5)2Te(C2O4). Single crystal X-ray study of [(C2H5)2Te(NO3)]2O","authors":"Chandan Maurya (Conceptualization Formal analysis Investigation Methodology Project administration Writing – original draft) , Sangeeta Bajpai (Conceptualization Data curation Project administration Supervision Writing – review & editing) , Desh Deepak (Supervision) , Monika Kamboj (Writing – review & editing) , Ray J. Butcher (Data curation Investigation Software)","doi":"10.1080/10426507.2025.2554282","DOIUrl":"10.1080/10426507.2025.2554282","url":null,"abstract":"<div><div>Organotellurium (IV) compounds 1-hydroxo-1-nitrato-2-methyl-1-telluracyclopentane [C<sub>4</sub>H<sub>7</sub>(CH<sub>3</sub>)Te(OH)(NO<sub>3</sub>)] (<strong>1</strong>), <em>µ</em>-oxo-bis[1-nitrato-1,1-diethyltellurium(IV)] [(C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>Te(NO<sub>3</sub>)]<sub>2</sub>O (<strong>2</strong>), spirooxalato-1-telluracyclopentane C<sub>4</sub>H<sub>8</sub>Te(C<sub>2</sub>O<sub>4</sub>) (<strong>3</strong>), and 1,1-oxalato-1,1-diethyltellurium(IV) (C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>Te(C<sub>2</sub>O<sub>4</sub>) (<strong>4</strong>) were synthesized. Compounds <strong>1</strong> and <strong>2</strong> were synthesized by the reactions of R<sub>2</sub>TeI<sub>2</sub>, [R<sub>2</sub> = C<sub>4</sub>H<sub>7</sub>(CH<sub>3</sub>), (C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>] with silver nitrate respectively in a 1:2 molar ratio in an aqueous medium at room temperature. Compounds <strong>3</strong> and <strong>4</strong> were synthesized by the reaction of R<sub>2</sub>TeI<sub>2</sub> [R<sub>2</sub> = C<sub>4</sub>H<sub>8</sub> and (C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>] with silver salt of oxalic acid respectively in a 1:1 molar ratio at room temperature. The synthesized telluroxanes <strong>1–4</strong> were characterized by elemental analysis, spectroscopic methods and single-crystal X-ray diffraction studies. Crystal structure of [(C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>Te(NO<sub>3</sub>)]<sub>2</sub>O is reported.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 934-941"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-02Epub Date: 2025-09-15DOI: 10.1080/10426507.2025.2560493
Somaia M. Abdel-Kariem (Formal analysis Investigation Methodology) , Tarik E. Ali (Conceptualization Funding acquisition Investigation Supervision) , Mohammed A. Assiri (Software Validation Writing – original draft) , Ali A. Shati (Investigation Methodology Software) , Mohammad Y. Alfaifi (Formal analysis Investigation Software) , Serag E. I. Elbehairi (Data curation Formal analysis Methodology Software)
A novel series of ethyl {3-substituted-4-oxo-2-[(4-oxo-4H-chromen-3-yl)methylene] hydrazineylidene}thiazolidin-5-ylidene}acetate derivatives (3a–h) was efficiently synthesized via a one-pot, three-component reaction helped by ultrasonic irradiation. These newly eight compounds were assessed for their cytotoxic effects against SKOV-3 and HeLa cancer cell lines. Among them, both compounds 3c and 3e demonstrated the most potent antiproliferative activities in the comparison with doxorubicin. To elucidate their biological mechanisms, cell cycle analysis and apoptosis assays were performed. Both compounds 3c and 3e significantly reduced cell viability and promoted apoptosis in the tested cell lines. Moreover, these compounds effectively caused cell cycle arrest at the S and G2 phases in SKOV-3 cells and at the G1 phase in HeLa cells. Supporting these findings, both compounds also triggered substantial autophagic responses. In silico ADMET study revealed that both 3c and 3e surpassed doxorubicin in terms of intestinal absorption, central nervous system (CNS) permeability and genomic safety. Particularly, compound 3e may exhibit excellent oral bioavailability, lower predicted toxicity, and an improved safety profile. Additionally, molecular docking studies indicated strong binding interactions between both compounds and the VEGFR-2 receptor, highlighting their potential as promising scaffolds for future anticancer drug development.
{"title":"Novel chromone-based thiazolidinone-5-ylidene through hydrazone linker: synthesis, antiproliferative activity, apoptosis induction, cell cycle arrest, autophagy, in silico ADMET and molecular docking studies","authors":"Somaia M. Abdel-Kariem (Formal analysis Investigation Methodology) , Tarik E. Ali (Conceptualization Funding acquisition Investigation Supervision) , Mohammed A. Assiri (Software Validation Writing – original draft) , Ali A. Shati (Investigation Methodology Software) , Mohammad Y. Alfaifi (Formal analysis Investigation Software) , Serag E. I. Elbehairi (Data curation Formal analysis Methodology Software)","doi":"10.1080/10426507.2025.2560493","DOIUrl":"10.1080/10426507.2025.2560493","url":null,"abstract":"<div><div>A novel series of ethyl {3-substituted-4-oxo-2-[(4-oxo-4<em>H</em>-chromen-3-yl)methylene] hydrazineylidene}thiazolidin-5-ylidene}acetate derivatives (<strong>3a–h</strong>) was efficiently synthesized <em>via</em> a one-pot, three-component reaction helped by ultrasonic irradiation. These newly eight compounds were assessed for their cytotoxic effects against SKOV-3 and HeLa cancer cell lines. Among them, both compounds <strong>3c</strong> and <strong>3e</strong> demonstrated the most potent antiproliferative activities in the comparison with doxorubicin. To elucidate their biological mechanisms, cell cycle analysis and apoptosis assays were performed. Both compounds <strong>3c</strong> and <strong>3e</strong> significantly reduced cell viability and promoted apoptosis in the tested cell lines. Moreover, these compounds effectively caused cell cycle arrest at the S and G2 phases in SKOV-3 cells and at the G1 phase in HeLa cells. Supporting these findings, both compounds also triggered substantial autophagic responses. In <em>silico</em> ADMET study revealed that both <strong>3c</strong> and <strong>3e</strong> surpassed doxorubicin in terms of intestinal absorption, central nervous system (CNS) permeability and genomic safety. Particularly, compound <strong>3e</strong> may exhibit excellent oral bioavailability, lower predicted toxicity, and an improved safety profile. Additionally, molecular docking studies indicated strong binding interactions between both compounds and the VEGFR-2 receptor, highlighting their potential as promising scaffolds for future anticancer drug development.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 985-1001"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-02Epub Date: 2025-08-29DOI: 10.1080/10426507.2025.2554276
Hailiang Zhang (Conceptualization Formal analysis Methodology Supervision Writing – original draft) , Lu Liu (Data curation Software Writing – review & editing)
Graph theory is widely used to model chemical structures. In chemistry, it has been employed to study the topological properties of molecules, such as molecular stability. In general, a higher Merrifield–Simmons index is associated with greater complexity and stability of molecular structures. Silicates constitute the largest, most interesting, and most complete class of minerals and are components of the common rock-forming minerals. The tetrahedron SiO4 is the fundamental unit of silicates: its corner vertices are oxygen atoms and its center atom is silicon. For silicate structures, this index may help elucidate physical properties such as hardness and conductivity, which are closely related to the arrangement and interactions of atoms. In this article, we compute the Merrifield–Simmons index for two classes of silicate molecular graphs. We also show that graphs in these two classes possess the same independence entropy. Finally, we demonstrate that the difference between their matching entropy and independence entropy is (log 2)/3.
{"title":"The Merrifield–Simmons index of two classes of silicate molecular graphs","authors":"Hailiang Zhang (Conceptualization Formal analysis Methodology Supervision Writing – original draft) , Lu Liu (Data curation Software Writing – review & editing)","doi":"10.1080/10426507.2025.2554276","DOIUrl":"10.1080/10426507.2025.2554276","url":null,"abstract":"<div><div>Graph theory is widely used to model chemical structures. In chemistry, it has been employed to study the topological properties of molecules, such as molecular stability. In general, a higher Merrifield–Simmons index is associated with greater complexity and stability of molecular structures. Silicates constitute the largest, most interesting, and most complete class of minerals and are components of the common rock-forming minerals. The tetrahedron SiO<sub>4</sub> is the fundamental unit of silicates: its corner vertices are oxygen atoms and its center atom is silicon. For silicate structures, this index may help elucidate physical properties such as hardness and conductivity, which are closely related to the arrangement and interactions of atoms. In this article, we compute the Merrifield–Simmons index for two classes of silicate molecular graphs. We also show that graphs in these two classes possess the same independence entropy. Finally, we demonstrate that the difference between their matching entropy and independence entropy is (log 2)/3.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 929-933"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
With the aim to explore potential drugs against tuberculosis and microbial infections, eight diorganotin(IV) complexes were synthesized from 4-nitro-3-methylbenzhydrazide. Various techniques, including NMR, FT-IR, and mass spectrometry, were used to fully characterize the compounds (1–10). Further, DFT studies were conducted with the help of Gaussian 09 software for compounds to get an insight for their biological potential by employing quantum mechanical principles. The evaluation of anti-tuberculosis results revealed that compounds 6 and 10 exhibited the highest potential to inhibit TB infections, having minimum inhibition concentration (MIC) values of 0.0194 ± 0.0004 and 0.0195 ± 0.0005 µmol/mL, respectively. Results of anti-microbial analysis revealed that compound 6 showed the highest efficacy against tested microbes with MIC values around 0.0194 ± 0.0048 µmol/mL.
{"title":"Exploring the therapeutic potential of diorganotin(IV) complexes derived from hydrazone ligands: synthesis, characterization, DFT study, and biological evaluation","authors":"Shikha Poonia (Conceptualization Data curation Formal analysis Investigation Methodology Validation Writing – original draft) , Sonika Asija (Formal analysis Supervision Validation) , Kashmiri Lal (Formal analysis Validation) , Yogesh Deswal (Software) , Jagat Singh Kirar (Software) , Pinki Barwa (Formal analysis) , Anju Ragshaniya (Formal analysis)","doi":"10.1080/10426507.2025.2568493","DOIUrl":"10.1080/10426507.2025.2568493","url":null,"abstract":"<div><div>With the aim to explore potential drugs against tuberculosis and microbial infections, eight diorganotin(IV) complexes were synthesized from 4-nitro-3-methylbenzhydrazide. Various techniques, including NMR, FT-IR, and mass spectrometry, were used to fully characterize the compounds (<strong>1–10</strong>). Further, DFT studies were conducted with the help of Gaussian 09 software for compounds to get an insight for their biological potential by employing quantum mechanical principles. The evaluation of anti-tuberculosis results revealed that compounds <strong>6</strong> and <strong>10</strong> exhibited the highest potential to inhibit TB infections, having minimum inhibition concentration (MIC) values of 0.0194 ± 0.0004 and 0.0195 ± 0.0005 µmol/mL, respectively. Results of anti-microbial analysis revealed that compound <strong>6</strong> showed the highest efficacy against tested microbes with MIC values around 0.0194 ± 0.0048 µmol/mL.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1025-1037"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-02Epub Date: 2025-10-03DOI: 10.1080/10426507.2025.2568490
Michael P. Remington (Conceptualization Data curation Formal analysis Investigation Methodology Validation Writing – original draft Writing – review & editing) , Philip Boudjouk (Funding acquisition Project administration Resources Supervision)
The condensed phase pyrolysis between tribenzyl indium (Bn3In) and tribenzyl antimony (Bn3Sb) at 350 °C and 1 atmosphere of N2 in a 1:1 molar ratio produces highly crystalline InSb powders. These powders contain Sb, In and In2O3 as crystalline impurities. The reaction likely proceeds by way of adduct formation between the two compounds, followed by loss of 1,2-diphenyl ethane (bibenzyl). Low-pressure CVD (LPCVD) experiments on glass substrates lead to the formation of polycrystalline InSb films with low carbon contamination at 300 °C. This growth temperature nearly matches the lowest growth temperature obtained with any antimony precursor.
{"title":"The synthesis of InSb powders and deposition of InSb films from the new organometallic CVD (OMCVD) precursors tribenzyl indium (Bn3In) and tribenzyl antimony (Bn3Sb)","authors":"Michael P. Remington (Conceptualization Data curation Formal analysis Investigation Methodology Validation Writing – original draft Writing – review & editing) , Philip Boudjouk (Funding acquisition Project administration Resources Supervision)","doi":"10.1080/10426507.2025.2568490","DOIUrl":"10.1080/10426507.2025.2568490","url":null,"abstract":"<div><div>The condensed phase pyrolysis between tribenzyl indium (Bn<sub>3</sub>In) and tribenzyl antimony (Bn<sub>3</sub>Sb) at 350 °C and 1 atmosphere of N<sub>2</sub> in a 1:1 molar ratio produces highly crystalline InSb powders. These powders contain Sb, In and In<sub>2</sub>O<sub>3</sub> as crystalline impurities. The reaction likely proceeds by way of adduct formation between the two compounds, followed by loss of 1,2-diphenyl ethane (bibenzyl). Low-pressure CVD (LPCVD) experiments on glass substrates lead to the formation of polycrystalline InSb films with low carbon contamination at 300 °C. This growth temperature nearly matches the lowest growth temperature obtained with any antimony precursor.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1021-1024"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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