Phosphorus Sulfur and Silicon and The Related Elements最新文献_第2页

An improved efficient synthesis of new N-heterocylic, homocyclic and aliphatic dronic acids 新型n -杂环、均环和脂肪族醛酸的改进高效合成

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-06-21 DOI: 10.1080/10426507.2023.2225670

Shahab Marooti, N. Noroozi Pesyan, S. Behrouz

引用次数: 0

Polymorphism in pentaerythritol-derived ferrocenyl dithiophosphonates with intramolecular S-S coupling: a structural and computational study 季戊四醇衍生二茂铁基二硫代膦酸盐分子内S-S偶联的多态性:结构和计算研究

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-06-20 DOI: 10.1080/10426507.2023.2222871

G. E. Ayom, S. Zamisa, Thishana Singh, W. V. van Zyl

{"title":"Polymorphism in pentaerythritol-derived ferrocenyl dithiophosphonates with intramolecular S-S coupling: a structural and computational study","authors":"G. E. Ayom, S. Zamisa, Thishana Singh, W. V. van Zyl","doi":"10.1080/10426507.2023.2222871","DOIUrl":"https://doi.org/10.1080/10426507.2023.2222871","url":null,"abstract":"Abstract Four new polymorphs (1–4) of pentaerythritol-derived ferrocenyl S-S coupled dithiophosphonates were obtained. The four polymorphs all crystallized in the monoclinic system but different space groups. Notable differences between polymorphs 3 and 4 lie in their respective unit cell parameters; a fifth polymorph 5 of the same compound crystallized in the orthorhombic system and was previously reported by us. Structural deviations between polymorphs were performed by molecular overlays and the statistical values were expressed as root mean square deviation (RMSD). The highest structural deviations were between polymorphs 1 & 4 and 2 & 4 with an RMSD of about 1.0 while polymorphs 3 & 4 had a smaller difference with an RMSD of about 0.25. The solid-state molecular organization in the five polymorphs was also studied and discussed in terms of molecular conformation, crystal packing and hydrogen-bonded networks. Polymorphs 1–5 contain a variety of intermolecular and intramolecular non-classical hydrogen bonding interactions which form hydrogen-bonded supramolecular architectures. In all polymorphs, these hydrogen bond interactions were between the hydrogen atoms of the substituted and unsubstituted ferrocenyl moiety and the adjoining sulfur atoms of the dithiophosphonate group. A DFT geometry optimization found that 2 had the lowest energy and verified the molecular overlay. The reactivity indices further proved 2 to be the most reactive. Graphical abstract","PeriodicalId":20043,"journal":{"name":"Phosphorus Sulfur and Silicon and The Related Elements","volume":"33 3","pages":"723 - 732"},"PeriodicalIF":0.0,"publicationDate":"2023-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91480743","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}

引用次数: 0

Synthesis, spectral and structural characterization of iron chalcogenomalonato complexes CpFe(CO)2ECOCH2CO2R (E = S, Se) 铁-钴-基因组配合物CpFe(CO)2ECOCH2CO2R (E = S, Se)的合成、光谱及结构表征

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-06-15 DOI: 10.1080/10426507.2023.2222867

M. El‐khateeb, Phil Liebing, W. Weigand

引用次数: 0

Silicon and growth regulator induced defence against maize fall armyworm, Spodoptera frugiperda (J.E. Smith) 硅和生长调节剂对玉米秋粘虫的防御作用

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-06-15 DOI: 10.1080/10426507.2023.2222207

S. Chinnadurai, P. Chandramani, Mookiah Shanthi, P. Mahendran, Raman Renuka

{"title":"Silicon and growth regulator induced defence against maize fall armyworm, Spodoptera frugiperda (J.E. Smith)","authors":"S. Chinnadurai, P. Chandramani, Mookiah Shanthi, P. Mahendran, Raman Renuka","doi":"10.1080/10426507.2023.2222207","DOIUrl":"https://doi.org/10.1080/10426507.2023.2222207","url":null,"abstract":"Abstract A microplot field experiment was conducted to study the effect of silicon sources and growth regulator against maize fall armyworm, Spodoptera frugiperda at Thoppur village of Virudhunagar district during Rabi, 2021-22. Basal application of different doses of calcium silicate and foliar application of silicic acid and potassium silicate were carried out. The results revealed that 150 kg of calcium silicate/ha + 0.2% silicic acid at 15 d after sowing (DAS) + 50 ppm GA at 30 DAS was found to be effective in reducing fall armyworm (FAW) population (1.23 larvae/plant) followed by treatment with 75 kg of calcium silicate/ha + 0.2% silicic acid at 15 DAS + 50 ppm GA at 30 DAS (1.27 larvae/plant). Regarding leaf and cob damage, the treatment with 150 kg of calcium silicate/ha + 0.2% silicic acid at 15 DAS + 50 ppm GA at 30 DAS was found to be most effective and significantly superior over all other treatments by recording lowest mean leaf damage score of 1.63/plant and mean cob damage score of 1.13/plant followed by the treatment with 75 kg of calcium silicate/ha + 0.2% silicic acid at 15 DAS + 50 ppm GA at 30 DAS with 1.66 leaf score/plant and 1.35 cob score/plant. Graphical abstract","PeriodicalId":20043,"journal":{"name":"Phosphorus Sulfur and Silicon and The Related Elements","volume":"82 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74470290","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}

引用次数: 0

Study of porous silicon layer effect in optoelectronics properties of crystalline silicon 多孔硅层效应对晶体硅光电性能的影响

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-06-04 DOI: 10.1080/10426507.2023.2219805

Mouna Jemli, B. Abdouli, L. Khezami, M. Ben Rabha

引用次数: 1

AlC3 monolayer as an efficient adsorbent for removal of edifenphos molecule: a density functional theory study AlC3单层吸附剂对二苯醚分子的高效去除:密度泛函理论研究

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-05-16 DOI: 10.1080/10426507.2023.2211193

M. Kadhim, Zainab Talib Abed, Halah Mohammed Azeez, Safa K. Hachim, S. Abdullaha, Mohammed Abdul Hadi, A. Rheima

{"title":"AlC3 monolayer as an efficient adsorbent for removal of edifenphos molecule: a density functional theory study","authors":"M. Kadhim, Zainab Talib Abed, Halah Mohammed Azeez, Safa K. Hachim, S. Abdullaha, Mohammed Abdul Hadi, A. Rheima","doi":"10.1080/10426507.2023.2211193","DOIUrl":"https://doi.org/10.1080/10426507.2023.2211193","url":null,"abstract":"Abstract In the current research study, the adsorbent efficacy of an aluminum carbide (AlC3) nanosheet for edifenphos fungicide is assessed for the first time. To explore the efficacy of AlC3 as an adsorbent system, several essential properties of edifenphos, AlC3, and the complex of edifenphos-AlC3 are investigated. Edifenphos has an interaction through its -P = O group with the Al atoms of AlC3 with adsorption energy (Eads) of approximately −34.46 kcal/mol. The charge-transfer process is investigated by carrying out the LUMO-HOMO analysis, which is further supported by the NBO analysis. The net value of charge transfer from the edifenphos to AlC3 in the most stable complex is about 0.526 e. In addition, during edifenphos adsorption on the AlC3 surface the energy gap (Eg) of AlC3 was reduced from 2.25 to 1.17 eV. Also, the solvation energy (Esol) values of edifenphos@AlC3 are calculated to be −40.29 kcal/mol, which indicates that edifenphos@AlC3 is stabilized by water via spontaneous solvation. Overall, the results demonstrate that AlC3 can be employed as an effective adsorbent system for edifenphos to treat different forms of wastewater. GRAPHICAL ABSTRACT","PeriodicalId":20043,"journal":{"name":"Phosphorus Sulfur and Silicon and The Related Elements","volume":"43 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88267168","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}

引用次数: 0

Room-temperature wet synthesis of bismuth(III) nitrate from bismuthinite: a thermodynamics-based communication 由铋矿室温湿法合成硝酸铋(III):基于热力学的通讯

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-05-16 DOI: 10.1080/10426507.2023.2210250

A. Mousavi

引用次数: 0

Environmentally benign synthesis, molecular docking study, and ADME prediction of some novel aryl sulfones containing cyclic imide moiety as antimicrobial agents 含环亚胺部分新型芳基砜抗菌药物的环保合成、分子对接研究及ADME预测

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-05-12 DOI: 10.1080/10426507.2023.2210725

Chafika Bougheloum, Sabrina Alioua, Saida Meliani, R. Belghiche, A. Djahoudi, A. Messalhi

{"title":"Environmentally benign synthesis, molecular docking study, and ADME prediction of some novel aryl sulfones containing cyclic imide moiety as antimicrobial agents","authors":"Chafika Bougheloum, Sabrina Alioua, Saida Meliani, R. Belghiche, A. Djahoudi, A. Messalhi","doi":"10.1080/10426507.2023.2210725","DOIUrl":"https://doi.org/10.1080/10426507.2023.2210725","url":null,"abstract":"Abstract Some new aryl sulfones containing a cyclic imide moiety were synthesized using a cesium salt of Dawson-type tungstophosphoric acid (Cs5HP2W18O62) as an efficient catalyst under ultrasound irradiation. This efficient method affords the desired products in one step with high chemical yields. All structures of the products were proven by mass spectrometry and 1H and 13C NMR spectroscopy. The submission of the molecules to the Molinspiration software showed that they fulfill Lipinski’s rule of five. Moreover, molecular docking studies performed on the compounds against Staphylococcus aureus tyrosyl-tRNA synthetase and Candida albicans dihydrofolate reductase revealed the potential binding mode of the ligands to the sites of the appropriate targets. Some compounds were evaluated in vitro as antimicrobial agents against 16 strains. The results indicate that the tested molecules show a good activity at low concentrations (minimum inhibitory concentration = 0.125 µg/mL) against selected microbial strains. GRAPHICAL ABSTRACT","PeriodicalId":20043,"journal":{"name":"Phosphorus Sulfur and Silicon and The Related Elements","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73274438","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}

引用次数: 0

The significant effect of K+ counterion in the enhancement of physicochemical and structural properties of amorphous aluminosilicates xerogels used as catalysts in the transesterification of waste frying oils 在废煎炸油酯交换反应中，K+反离子对无定形硅酸铝干凝胶的物理化学和结构性能有显著的增强作用

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-05-11 DOI: 10.1080/10426507.2023.2210246

Boufellah Nassima, Aksas Hammouche

{"title":"The significant effect of K+ counterion in the enhancement of physicochemical and structural properties of amorphous aluminosilicates xerogels used as catalysts in the transesterification of waste frying oils","authors":"Boufellah Nassima, Aksas Hammouche","doi":"10.1080/10426507.2023.2210246","DOIUrl":"https://doi.org/10.1080/10426507.2023.2210246","url":null,"abstract":"Abstract With the aim of better directing the polycondensation of oligomers during the synthesis of amorphous aluminosilicate xerogels by the sol-gel process using Na2SiO3, we reinforced the sols with K+ counterion and studied its effect on the physicochemical and structural properties of the xerogels using XRD, FTIR, N2 physisorption, SEM, EDX, and TGA techniques as well as quantitative analysis of the acid sites by N-butylamine adsorption followed by potentiometric titration. Based on the results, the introduction of K+ generated xerogels with good porosity and conferred resistance to matrix cracking. The amorphous character of the xerogels did not change after adding K+. FTIR spectra showed that the composition of the xerogels was improved after the addition of K+. Cation exchange and sulfur removal were much more efficient in the presence of K+ which improved the acidity of the xerogels. The best percentages of Si and Al were observed at the Na+/K+ ratios of 4 and 1.The enhanced xerogel prepared with Na+/K+ ratio of 1 gave a biodiesel yield of 80.44% at the optimum parameters and was used for three reaction cycles without significant loss of biodiesel yield. Graphical Abstract","PeriodicalId":20043,"journal":{"name":"Phosphorus Sulfur and Silicon and The Related Elements","volume":"531 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91450067","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}

引用次数: 0

Grafting of phosphorus-containing tetrahydroxy(thia)calixarenes on silica enhances europium(III) adsorption 含磷四羟基杯芳烃在二氧化硅上接枝增强了对铕(III)的吸附

Phosphorus Sulfur and Silicon and The Related Elements Pub Date : 2023-05-08 DOI: 10.1080/10426507.2023.2208705

Y. Boiko, Konstantin Belikov, E. Bryleva, Z. Bunina, V. Varchenko, A. Rozhenko, A. Drapailo, R. Rodik, A. Golub, Alexander Katz, V. Kalchenko

引用次数: 1