Phosphorus, Sulfur, and Silicon and the Related Elements最新文献

{"title":"Thiazolidin-4-one derivatives as antitumor agents against (Caco-2) cell line: synthesis, characterization, in silico and in vitro studies","authors":"Salwa S Saad ,&nbsp;Sahar S. A. El-Sakka ,&nbsp;M. H. A. Soliman ,&nbsp;Mohamed H. A. Gadelmawla ,&nbsp;Nashwa M. Mahmoud","doi":"10.1080/10426507.2024.2419634","DOIUrl":"10.1080/10426507.2024.2419634","url":null,"abstract":"<div><div>Compounds based on thiazolidinones have drawn particular attention in the field of medicinal chemistry as potential sources of novel drug-like molecules. In this study thiazolidin-4-one derivatives (<strong>3</strong>–<strong>17</strong>) were prepared by refluxing a mixture of β-aroylacrylic acid (<strong>1</strong>) and aryl thiosemicarbazone (<strong>2</strong>) and characterized using IR and ¹H NMR spectroscopy. <em>In silico</em>, physicochemical descriptors and pharmacokinetic properties were assessed using the SwissADME web tool. Moreover, docking studies of synthesized compounds were performed in order to explore their binding to cyclooxygenase-2 (COX-2) (PDB code: 5IKT) and p53 (PDB code: 6MXZ). Some synthesized compounds were evaluated for their <em>in vitro</em> cytotoxic activity against colon cancer (Caco-2) cell line. Among the tested compounds, compound (<strong>16</strong>) showed a higher effect with (IC₅₀ of 70 µg/ml). The synthesized compounds revealed reduced <em>Caspase-3</em> and <em>p53</em> gene expression, suggesting the potential antineoplastic effects of these compounds.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 7","pages":"Pages 732-745"},"PeriodicalIF":1.4,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144837","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}

{"title":"Synthesis and characterization of lithium alumina silicate (LiAl(SiO3)2) from naturally sourced silica: a comparative study","authors":"Djamel Barani ,&nbsp;Omar Ben Mya ,&nbsp;Abderazzek Aoun ,&nbsp;Adel Amrani ,&nbsp;Dhiaeddine Leghribi","doi":"10.1080/10426507.2024.2416204","DOIUrl":"10.1080/10426507.2024.2416204","url":null,"abstract":"<div><div>This study investigates the synthesis and characterization of lithium aluminosilicate (LiAl(SiO₃)₂) using naturally sourced silica (NSS) from the Djamâa region in Algeria and compares it with laboratory-sourced silica (LSS). The synthesis was conducted using the sol–gel method and solid-state reactions with lithium carbonate, aluminum oxide, and SiO₂. Characterization techniques included X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). XRD analysis confirmed the crystalline structure of the synthesized lithium aluminosilicate, revealing distinct crystal phases: the NSS material exhibited a tetragonal spodumene-II phase. In contrast, the LSS material showed a hexagonal spodumene-III phase. The crystallite sizes were 21.96 μm for NSS and 22.14 μm for LSS, with crystallinity percentages of 60.77% and 57.55%, respectively. FTIR spectroscopy verified the successful incorporation of lithium and aluminum into the silica framework. SEM analysis provided detailed insights into surface morphology and particle size distribution, highlighting the uniformity of the materials. Specifically, the LSS material exhibited cylindrical spaces between particles, whereas the NSS material displayed spherical spaces.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 7","pages":"Pages 661-666"},"PeriodicalIF":1.4,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144230","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}

{"title":"Synthesis and application of Fe3O4@RHA nanocatalyst in the synthesis of polyhydroquinolines and dihydropyrimidinones (statistical approach to optimize parameters)","authors":"Zeinab Shahbazarab ,&nbsp;Masoud Nasr-Esfahani","doi":"10.1080/10426507.2024.2421880","DOIUrl":"10.1080/10426507.2024.2421880","url":null,"abstract":"<div><div>In this study, rice husk ash as silica source was obtained and then, by adding Fe₃O₄, Fe₃O₄@RHA core-shell nanocatalyst was prepared. The Fe₃O₄@RHA nanocatalyst was identified using VSM, XRD, FE-SEM, EDX, and FT-IR analysis, and the optimization of the effective parameters in the reaction was done using response surface methodology (RSM). This nanocatalyst had spherical particles with an average particle size of about 30 nm and good magnetic properties of about 42 emu/gr. The Fe₃O₄ particles encapsulated in RHA were easily recovered and showed good catalytic activity. Using Fe₃O₄@RHA biosynthesized nanocatalyst, polyhydroquinoline derivatives were obtained through multi-component condensation of ammonium acetate, aldehyde, ethyl acetoacetate, and dimedone, under solvent-free conditions at 80 °C, as well as dihydropyrimidinone derivatives through multi-component reactions by condensation of urea, aromatic aldehyde, and β-Keto ester under solvent-free conditions at 70 °C. Fe₃O₄@RHA nanocatalyst was introduced as a heterogeneous, stable, and environmentally compatible catalyst; in its production, dangerous materials, reagents, and solvents were avoided and it is environmentally friendly. In addition, it has the advantage of being recyclable, resulting in short reaction time, high product yield, and economically good performance.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 7","pages":"Pages 771-782"},"PeriodicalIF":1.4,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144822","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}

{"title":"Discovery of in silico pharmacokinetic characteristics, drug-likeness, computational and experimental pKa values of selected unnatural fatty acid derivatives","authors":"Mehmet Suat Aksoy ,&nbsp;Ayhan Yıldırım","doi":"10.1080/10426507.2024.2396442","DOIUrl":"10.1080/10426507.2024.2396442","url":null,"abstract":"<div><div>The objective of this study was to synthesize a series of unnatural fatty acid derivatives, which have been identified as possessing distinctive properties and potential as new drug candidates. In light of the aforementioned considerations, it is imperative that the physicochemical profiles of these derivatives and their analogues be evaluated prior to the commencement of clinical trials, with a view to ascertaining their pharmacokinetic properties. In order to gain a deeper understanding of this phenomenon, a series of experimental and theoretical studies have been conducted. The pKa_exp values of these derivatives were determined for the first time by potentiometric titration. These derivatives, and in particular compounds <strong>C</strong>-<strong>E</strong>, display satisfactory physicochemical properties and medicinal chemistry. As a consequence of the related prediction studies, it was observed that the molecules <strong>A1</strong>-<strong>B</strong> violated the Lipinski rule by only one criterion, whereas the compounds <strong>C</strong>-<strong>E</strong> did not violate it at all. With the exception of compounds <strong>A1</strong>-<strong>A3</strong>, compounds <strong>B</strong>-<strong>E</strong> exhibit good oral bioavailability. All compounds demonstrated acceptable toxicity profiles, although further <em>in vivo</em> and <em>in vitro</em> laboratory studies are recommended to provide more detailed insights. Furthermore, all molecules were identified as bioactive protease and enzyme inhibitors.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 520-535"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198083","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}

{"title":"Novel magnetic properties of nanostructured Fe50Cr40P10 (wt.%) powders","authors":"Meriem Kettache ,&nbsp;Samah Adjmi ,&nbsp;Rachid Siab ,&nbsp;Wassila Tebib ,&nbsp;Saida Boukeffa ,&nbsp;Locif Redouani ,&nbsp;Mohamed Bououdina","doi":"10.1080/10426507.2024.2395256","DOIUrl":"10.1080/10426507.2024.2395256","url":null,"abstract":"<div><div>The purpose of this investigation is to examine the evolution of phase formation, structural, microstructural, and magnetic properties of the Fe₅₀Cr₄₀P₁₀ (wt.%) powder mixture as a function of milling time. The Rietveld refinements of X-ray diffraction patterns indicated the formation of two <em>bcc</em> chromium solid solutions, Fe₃₃Cr₂ and Fe₂Cr₅, embedded within α-Fe (P) solid solution. The magnetic measurements reveal a ferromagnetic behavior regardless of milling time, but highlight a new behavior of phosphorus as an alphagen element to promote the alpha iron chromium solid solution formation with lower hysteresis loss energy and maximum values of the magnetic properties (coercivity, H_c, nucleation field, H_n, initial µ_i and maximum µ_max magnetizations permeabilities as well as the hysteresis loss energy E_HL). The evolution of magnetic fields has been correlated with the evolution of &lt;<em>L</em>&gt;, rms &lt;σ²&gt;^1/2, and dislocation density ρ.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 505-511"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142420725","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}

{"title":"A theoretical investigation of the competition between σ- and π-holes on the stability of the complexes resulting from the interaction between the COCl2 and OCY molecules (Y = S, Se, and Te)","authors":"Mohammadmehdi Moradkhani ,&nbsp;Ali Naghipour ,&nbsp;Yunes Abbasi Tyula","doi":"10.1080/10426507.2024.2378049","DOIUrl":"10.1080/10426507.2024.2378049","url":null,"abstract":"<div><div>Carbonyl dichloride (COCl₂), also known as phosgene, is a highly toxic gas, whose exposure or acute inhalation causes severe respiratory complications, such as pulmonary edema, pulmonary emphysema, and even death. In this study, we theoretically investigated the complexes formed by the interaction between the COCl₂ (phosgene) and OCY molecules (Y = S, Se, and Te). Complex geometry optimization yielded three distinct types of conformations. Conformation-I complexes were stabilized by two concurring chalcogen-bonding interactions (i.e. O⋯Y and Cl⋯Y) by forming a ring structure. However, only a single linear interaction (O⋯C) or (O⋯Cl) occurred in conformation-II and III complexes, forming complexes with the nature of tetrel and halogen bonds, respectively. According to the results of the molecular electrostatic potential (MEP), interaction energy (ΔE^T), natural bond orbital (NBO), and so on, the σ-hole of the Y atom in the OCY molecule exhibited higher acidic strength and formed more stable complexes than those resulting from the σ- and π-holes of the COCl₂ molecule.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 486-495"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141641660","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}

{"title":"In situ formation of the electrophilic phenylselenenyl sulfate triggered by light","authors":"","doi":"10.1080/10426507.2024.2349315","DOIUrl":"10.1080/10426507.2024.2349315","url":null,"abstract":"<div><div>Ammonium persulfate is a mild oxidant capable of oxidizing the selenium-selenium bond through thermal activation or under drastic acid catalysis. In this paper we highlight that this reaction can be activated photochemically, starting from diphenyl diselenide in the absence of any organic or and/or metallic photocatalyst or additive. The protocol was applied to a well-known panel of selenoalkoxylation reactions and the obtained results clearly indicate the involvement of an electrophilic selenium reagent.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 470-477"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140927448","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}

{"title":"Probing the limits of tetraalkylthiuram disulfide synthesis by direct reaction of secondary amines with CS2: The structures of Cy2NC(S)SSC(S)NCy2 and Cy2NC(S)SSSSC(S)NCy2","authors":"Saikat Mishra ,&nbsp;Gayathri Ragunathan ,&nbsp;Joel T. Mague ,&nbsp;Xiaodong Zhang ,&nbsp;James P. Donahue","doi":"10.1080/10426507.2024.2396436","DOIUrl":"10.1080/10426507.2024.2396436","url":null,"abstract":"<div><div>Reaction of Cy₂NH with CS₂ in NaOH/H₂O, followed by oxidation with I₂, yields a complex mixture that includes the tetracyclohexylthiuram disulfide, Cy₂NC(S)SSC(S)NCy₂, in mixture with S₈ and the tetrasulfide Cy₂NC(S)SSSSC(S)NCy₂. Direct reaction of 2 eq of Cy₂NH with CS₂ in EtOH, followed by I₂ oxidation, does not yield isolable Cy₂NC(S)SSC(S)NCy_2, even though other tetraalkylthiuram disulfides are effectively produced by this protocol. Deprotonation of Cy₂NH with <em>t</em>BuLi, followed by treatment with CS₂ and then oxidative coupling with I₂ yields Cy₂NC(S)SSC(S)NCy₂ in ∼74% yield, suggesting secondary amines that are branched at the α carbon may generally require this lattermost approach to the corresponding tetraalkylthiuram disulfide. Evaporation of an Et₂O solution of the crude product mixture obtained from the CS₂/NaOH/H₂O reaction yielded a triclinic form of Cy₂NC(S)SSC(S)NCy₂, which contained two independent molecules in its asymmetric unit with opposite <em>C</em>₂ handedness. This same product mixture contained Cy₂NC(S)SSSSC(S)NCy₂, which was identified crystallographically in monoclinic <em>C</em>2/<em>c</em> and is the first such tetrasulfide to be characterized by X-ray diffraction. A second polymorph of Cy₂NC(S)SSC(S)NCy₂, obtained by evaporation of an acetone solution, is disordered across a mirror plane in monoclinic <em>P</em>2₁/<em>m.</em> This monoclinic polymorph of Cy₂NC(S)SSC(S)NCy₂ is the only tetraalkylthiuram disulfide found to crystallize on a mirror plane.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 512-519"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Removal of an organophosphate insecticide from aqueous media using phyllosilicate clay: multivariable optimization, nonlinear kinetic modelling and thermodynamic study","authors":"Hadjer Mamine ,&nbsp;Mourad Boukachabia ,&nbsp;Hacene Bendjeffal ,&nbsp;Amel Aloui ,&nbsp;Toufek Metidji ,&nbsp;Abdelkrim Djebli ,&nbsp;Yacine Bouhedja","doi":"10.1080/10426507.2024.2396443","DOIUrl":"10.1080/10426507.2024.2396443","url":null,"abstract":"<div><div>The excessive and irrational use of organophosphate insecticides in our lives has resulted in a serious environmental problem, necessitating the proposal of novel and cost-effective plans to remove these organophosphate insecticides from agricultural or industrial wastewater. In this approach, we investigated the use of <em>phyllosilicate clay</em> as a low-cost and environmentally friendly adsorbent to eliminate an organophosphate insecticide (<em>Diazinon DZN</em>) from an aqueous medium. To achieve an adequate elimination of this insecticide from contaminated water, three main parameters including clay dose (<span><math><mrow><msub><mrow><mi>D</mi></mrow><mrow><mi>c</mi></mrow></msub></mrow></math></span>) (0.1–1.5 g L⁻¹), medium <em>pH</em> (5–9), and initial <em>DZN</em> concentrations (<span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mtext>DZN</mtext></mrow></msub></mrow></math></span>) (55–40 mg L⁻¹) were optimized using a multivariable optimization based on Box-Behnken Design (BBD). The response surface method (RSM) and composite desirability function technique were used to find the ideal conditions for the three input variables and the adsorption amount (<span><math><mrow><msub><mrow><mi>Q</mi></mrow><mrow><mi>e</mi></mrow></msub></mrow><mo>)</mo></math></span> was selected as the output variable. The higher adsorption amount (<span><math><mrow><msub><mrow><mi>Q</mi></mrow><mrow><mtext>max</mtext></mrow></msub></mrow><mo>)</mo></math></span> was achieved with an adsorbent amount of 1.5 g L⁻¹ in an acidic medium (pH = 5) at room temperature and a <em>Diazinon</em> initial dose of 25.85 mg L⁻¹, with a maximum adsorbent loading of 12.20 mg g⁻¹. The nonlinear modeling study showed that the adsorption kinetics of <em>Diazinon</em> follows the pseudo-second-order model. The thermodynamic study shows that the <em>DZN</em> removal process is exothermic, spontaneous, and of a stable configuration.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 536-549"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198081","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}

{"title":"A novel [4 + 2] cycloaddition reaction involving Lawesson’s reagent. Structure and specific fragmentations of a new cyclic 1,2-thiaphosphinane-4-one","authors":"","doi":"10.1080/10426507.2023.2281477","DOIUrl":"10.1080/10426507.2023.2281477","url":null,"abstract":"<div><div>A crude morpholine enamine of acetone treated with Lawesson’s reagent unexpectedly yielded a six-membered thiaphosphinane-4-one. This compound is the first example of a new class of heterocycles. It has been proven that it is formed from 4-methyl-2-morpholino-1,3-pentadiene which is usually present in crude morpholine enamine batches. A mechanism of this regioselective reaction was postulated and a characteristic chair-like conformation of the product was examined in detail. Additionally, some unusual primary fragmentations of the product with the loss of H₂S and isobutylene were observed for positive and negative ESI ionization mode, respectively.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 6","pages":"Pages 478-485"},"PeriodicalIF":1.4,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138567715","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}