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Evaluation of shaped V/HY zeolite catalysts in a continuous oxidative-adsorptive desulfurization of dibenzothiophene: Effects of kaolin and pseudo-boehmite as binders
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-10 DOI: 10.1016/j.rechem.2025.102189
Mojtaba Rahimzadeh , Golshan Mazloom , Farhad Banisharif
A continuous oxidative/adsorptive desulfurization process was developed in a fixed bed reactor filled with shaped catalysts to explore influences of different binders on textural properties acidity of catalysts and hence their performance in the desulfurization of model oil containing 1000 ppmw dibenzothiophene (DBT). The employed catalysts were vanadium/HY zeolite shaped in the cylindrical form with different amounts of kaolin (KL) and pseudo-boehmite (PB) as binders. In contact with binders, the properties of the zeolite alter and the interaction mechanism of the zeolite and binders remains to be studied. Obtained results revealed that binder incorporation had negative effects on the micropores of the zeolite, but in different degrees. PB with smaller sizes could penetrate and block the micropores leading to the significant decrease in the surface area. But KL with larger particle sizes decreased the micropore volume to a lesser extent. In addition, the mesopore volume of the catalysts improved significantly by binder incorporation due to the particle pilling. The zeolite structure was damaged by PB incorporation via removing tetrahedrally coordinated aluminium from the zeolite framework, and lead to increasing weak acidic sites. Whereas, bounding with KL decreased the acidic properties of the catalyst by partially neutralization. KL-bounded samples exhibited poor activity and stability, possibly due to the creating impenetrable outer layer, which hinders DBT diffusion. The most outstanding catalytic performance was obtained with 33 wt% of PB, which contained well-developed mesopore structure and more weak acidic sites, and 91.6 % (DBT) removal was attained at mild conditions using tert-butyl hydroperoxide oxidant.
{"title":"Evaluation of shaped V/HY zeolite catalysts in a continuous oxidative-adsorptive desulfurization of dibenzothiophene: Effects of kaolin and pseudo-boehmite as binders","authors":"Mojtaba Rahimzadeh ,&nbsp;Golshan Mazloom ,&nbsp;Farhad Banisharif","doi":"10.1016/j.rechem.2025.102189","DOIUrl":"10.1016/j.rechem.2025.102189","url":null,"abstract":"<div><div>A continuous oxidative/adsorptive desulfurization process was developed in a fixed bed reactor filled with shaped catalysts to explore influences of different binders on textural properties acidity of catalysts and hence their performance in the desulfurization of model oil containing 1000 ppmw dibenzothiophene (DBT). The employed catalysts were vanadium/HY zeolite shaped in the cylindrical form with different amounts of kaolin (KL) and pseudo-boehmite (PB) as binders. In contact with binders, the properties of the zeolite alter and the interaction mechanism of the zeolite and binders remains to be studied. Obtained results revealed that binder incorporation had negative effects on the micropores of the zeolite, but in different degrees. PB with smaller sizes could penetrate and block the micropores leading to the significant decrease in the surface area. But KL with larger particle sizes decreased the micropore volume to a lesser extent. In addition, the mesopore volume of the catalysts improved significantly by binder incorporation due to the particle pilling. The zeolite structure was damaged by PB incorporation via removing tetrahedrally coordinated aluminium from the zeolite framework, and lead to increasing weak acidic sites. Whereas, bounding with KL decreased the acidic properties of the catalyst by partially neutralization. KL-bounded samples exhibited poor activity and stability, possibly due to the creating impenetrable outer layer, which hinders DBT diffusion. The most outstanding catalytic performance was obtained with 33 wt% of PB, which contained well-developed mesopore structure and more weak acidic sites, and 91.6 % (DBT) removal was attained at mild conditions using tert-butyl hydroperoxide oxidant.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102189"},"PeriodicalIF":2.5,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620208","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
Unveiling the antimicrobial activity of some new Quinazolindione-anchored Pyrazole, Chromene and/or Furo[2,3-b]indole hybrids through Acylthiourea conjugate: Synthesis, molecular docking, Semiempirical calculations and ADMET prediction
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-08 DOI: 10.1016/j.rechem.2025.102175
Aboubakr H. Abdelmonsef , Amal O.A. Ibrahim , Hesham M. Alsoghier , Huda R.M. Rashdan , Ahmed M. Mosallam , Ahmed Khodairy
Due to the current need to identify novel and potent drug candidates for treating diseases caused by bacterial and fungal strains. Herein, in this article, our goal is to identify possible potential antimicrobial candidates. The present work includes design and prepare three new series of quinazolindione-based acylthiourea incorporating five and/or six membered rings such as pyrazole, furo[2,3-b]indole and chromene moieties 3–8, in an effort to investigate their potential antimicrobial properties. The starting compound 2 has been synthesized by reaction of benzoyl chloride derivative 1 with cyanoacetic acid hydrazide and ammonium thiocyanate via one pot three components reaction. Additionally, Knӧvenagel condensation of 2 with various heteroaromatic/ aromatic aldehydes and/or aromatic ketone yielded quinazolin-2,4-diones-anchored acylthiourea conjugate with N/O heterocycles 3–8 in good yields ranging from 60 to 75 %. Their chemical structures were authenticated utilizing multispectroscopic techniques such as IR, 1H-& 13C NMR and MS along with the elemental analyses. Further, the antimicrobial potential of the products was in vitro assessed against different bacterial and fungal pathogenic strains. The results revealed that compounds 3b and 3c demonstrated the strongest inhibitory effects against the tested microbial strains at low concentrations. Alongside, virtual screening based on molecular docking studies was further performed on the newly synthesized quinazolin-2,4-diones towards the enzymes Staphylococcus aureus tyrosyl-tRNA synthetase (TyrRS), Pseudomonas aeruginosa lipase enzyme and Candida albicans dihydrofolate reductase (C. albicans DHFR), using ciprofloxacin and nystatin as antibacterial and antifungal standard drugs, respectively. Further, structure activity relationship (SAR) for 3b and 3c was rationalized by investigating the effect of substituents on inhibitory potential. A semiempirical modeling was performed for geometric optimization of the best docked molecules. Our work recommends that compound 3b and 3c could be promising leads for development of potent antimicrobial agents.
{"title":"Unveiling the antimicrobial activity of some new Quinazolindione-anchored Pyrazole, Chromene and/or Furo[2,3-b]indole hybrids through Acylthiourea conjugate: Synthesis, molecular docking, Semiempirical calculations and ADMET prediction","authors":"Aboubakr H. Abdelmonsef ,&nbsp;Amal O.A. Ibrahim ,&nbsp;Hesham M. Alsoghier ,&nbsp;Huda R.M. Rashdan ,&nbsp;Ahmed M. Mosallam ,&nbsp;Ahmed Khodairy","doi":"10.1016/j.rechem.2025.102175","DOIUrl":"10.1016/j.rechem.2025.102175","url":null,"abstract":"<div><div>Due to the current need to identify novel and potent drug candidates for treating diseases caused by bacterial and fungal strains. Herein, in this article, our goal is to identify possible potential antimicrobial candidates. The present work includes design and prepare three new series of quinazolindione-based acylthiourea incorporating five and/or six membered rings such as pyrazole, furo[2,3-<em>b</em>]indole and chromene moieties <strong>3–8</strong>, in an effort to investigate their potential antimicrobial properties. The starting compound <strong>2</strong> has been synthesized by reaction of benzoyl chloride derivative <strong>1</strong> with cyanoacetic acid hydrazide and ammonium thiocyanate <em>via</em> one pot three components reaction. Additionally, Knӧvenagel condensation of <strong>2</strong> with various heteroaromatic/ aromatic aldehydes and/or aromatic ketone yielded quinazolin-2,4-diones-anchored acylthiourea conjugate with N/O heterocycles <strong>3–8</strong> in good yields ranging from 60 to 75 %. Their chemical structures were authenticated utilizing multispectroscopic techniques such as IR, <sup>1</sup>H-&amp; <sup>13</sup>C NMR and MS along with the elemental analyses. Further, the antimicrobial potential of the products was <em>in vitro</em> assessed against different bacterial and fungal pathogenic strains. The results revealed that compounds <strong>3b</strong> and <strong>3c</strong> demonstrated the strongest inhibitory effects against the tested microbial strains at low concentrations. Alongside, virtual screening based on molecular docking studies was further performed on the newly synthesized quinazolin-2,4-diones towards the enzymes <em>Staphylococcus aureus</em> tyrosyl-tRNA synthetase (TyrRS), <em>Pseudomonas aeruginosa</em> lipase enzyme and <em>Candida albicans</em> dihydrofolate reductase (<em>C. albicans</em> DHFR), using ciprofloxacin and nystatin as antibacterial and antifungal standard drugs, respectively. Further, structure activity relationship (SAR) for <strong>3b</strong> and <strong>3c</strong> was rationalized by investigating the effect of substituents on inhibitory potential. A semiempirical modeling was performed for geometric optimization of the best docked molecules. Our work recommends that compound <strong>3b</strong> and <strong>3c</strong> could be promising leads for development of potent antimicrobial agents.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102175"},"PeriodicalIF":2.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600375","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
Chitosan-grafted β-ketosulfones@naphthalene and pyridine molecules/Ag nanocomposites for the catalytic degradation of organic pollutants
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-08 DOI: 10.1016/j.rechem.2025.102188
Raed H. Althomali , Khaled A. Alamry , Mahmoud A. Hussein , Mohamed A. Abdel-Fadeel
By employing the abbreviations (Cs-β-KS) naph and (Cs-β-KS) pyr, respectively, the current research investigates the production and characterisation of two novel chitosan-grafted β-ketosulfone derivatives involving naphthalene and pyridine constituents. In the specific case of chitosan-grafted naphthalene derivatives, the impact of preloaded Ag NPs on the catalytic capabilities of such contaminants was also investigated. (Cs-β-KS)naph/Ag was used to demonstrate the catalytic devaluation of p-NP, along with facilitating the catalytic discoloration of CR, MeO, and ArO. Exposure to Ag nanoparticle-laden (Cs-β-KS)naph/Ag resulted in peak absorption of CR, MeO, and ArO at 480 nm, 460 nm, and 480 nm, respectively, disappearing after 15 min, 50 min, and 60 min, respectively. The results indicated that the primary factors, initial concentration, and further research all had a direct effect on their ability to adsorb. Reduction-inducing reactions occur in the method of removal, which aligns with pseudo-second-order kinetics theories. The maximum reduction reaction was anticipated by the pseudo-second-order approach which served as an ideal match to the empirical observations. Leveraging an efficient catalyst (Cs-β-KS)naph / Ag nanocomposites facilitated the efficient removal of p-nitro-phenol and dye molecules. The (Cs-β-KS)naph /Ag nanocomposites exhibited superior catalytic effectiveness across the range of synthesised catalysts for the elimination of p-nitro-phenol Congo Red (CR), Methyl Orange (MeO), and Acridine Orange (ArO)in the presence of sodium borohydride, at prominent intervals of 24 min for p-NP and 15 min for CR.
目前的研究分别采用 (Cs-β-KS) naph 和 (Cs-β-KS) pyr 缩写,研究了两种新型壳聚糖接枝β-酮砜衍生物的生产和特性,其中涉及萘和吡啶成分。在壳聚糖接枝萘衍生物的特定情况下,还研究了预载 Ag NPs 对此类污染物催化能力的影响。(Cs-β-KS)萘/银被用来证明对萘酚的催化降解,同时促进 CR、MeO 和 ArO 的催化变色。暴露于添加了 Ag 纳米粒子的 (Cs-β-KS)naph/Ag 后,CR、MeO 和 ArO 分别在 480 纳米、460 纳米和 480 纳米处出现吸收峰值,并分别在 15 分钟、50 分钟和 60 分钟后消失。结果表明,主要因素、初始浓度和进一步研究都会直接影响它们的吸附能力。在去除方法中出现了还原诱导反应,这与伪二阶动力学理论相一致。最大还原反应是通过伪二阶方法预测的,与经验观察结果非常吻合。利用高效催化剂(Cs-β-KS)萘/银纳米复合材料促进了对硝基苯酚和染料分子的高效去除。在硼氢化钠存在下,(Cs-β-KS)萘/银纳米复合材料在消除对硝基苯酚刚果红(CR)、甲基橙(MeO)和吖啶橙(ArO)方面,在对硝基苯酚和对硝基苯酚分别为 24 分钟和 15 分钟时,在合成催化剂的范围内均表现出卓越的催化效力。
{"title":"Chitosan-grafted β-ketosulfones@naphthalene and pyridine molecules/Ag nanocomposites for the catalytic degradation of organic pollutants","authors":"Raed H. Althomali ,&nbsp;Khaled A. Alamry ,&nbsp;Mahmoud A. Hussein ,&nbsp;Mohamed A. Abdel-Fadeel","doi":"10.1016/j.rechem.2025.102188","DOIUrl":"10.1016/j.rechem.2025.102188","url":null,"abstract":"<div><div>By employing the abbreviations (Cs-β-KS) naph and (Cs-β-KS) pyr, respectively, the current research investigates the production and characterisation of two novel chitosan-grafted β-ketosulfone derivatives involving naphthalene and pyridine constituents. In the specific case of chitosan-grafted naphthalene derivatives, the impact of preloaded Ag NPs on the catalytic capabilities of such contaminants was also investigated. (Cs-β-KS)naph/Ag was used to demonstrate the catalytic devaluation of p-NP, along with facilitating the catalytic discoloration of CR, MeO, and ArO. Exposure to Ag nanoparticle-laden (Cs-β-KS)naph/Ag resulted in peak absorption of CR, MeO, and ArO at 480 nm, 460 nm, and 480 nm, respectively, disappearing after 15 min, 50 min, and 60 min, respectively. The results indicated that the primary factors, initial concentration, and further research all had a direct effect on their ability to adsorb. Reduction-inducing reactions occur in the method of removal, which aligns with pseudo-second-order kinetics theories. The maximum reduction reaction was anticipated by the pseudo-second-order approach which served as an ideal match to the empirical observations. Leveraging an efficient catalyst (Cs-β-KS)naph / Ag nanocomposites facilitated the efficient removal of p-nitro-phenol and dye molecules. The (Cs-β-KS)naph /Ag nanocomposites exhibited superior catalytic effectiveness across the range of synthesised catalysts for the elimination of p-nitro-phenol Congo Red (CR), Methyl Orange (MeO), and Acridine Orange (ArO<strong>)</strong>in the presence of sodium borohydride, at prominent intervals of 24 min for p-NP and 15 min for CR.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102188"},"PeriodicalIF":2.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628775","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
Evaluation the biological effect of niosomal hydrogel base amphotericin in combination with Artemisia sieberi essential oil for treatment of cutaneous leishmaniasis: In vitro and in vivo studies
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-08 DOI: 10.1016/j.rechem.2025.102185
Hanieh Ardeshiri , Amir Hossein Radfar , Gholamreza Hatam , Mohammad Saleh Bahreini , Negar Azarpira , Shreeshivadasan Chelliapan , Hesam Kamyab , Seyed Reza Kasaee , Ali Mohammad Amani , Sareh Mosleh-Shirazi
Leishmania is an obligate intracellular parasite that is endemic in many countries. It has two main subtypes of cutaneous leishmaniasis (CL) and visceral leishmaniasis (VL). The cutaneous type is non-fatal, but immediate treatment is essential to prevent annoying cosmetic outcomes and financial burdens for patients. The current treatments for cutaneous leishmaniasis (CL) are expensive, with many side effects and indeterminate outcomes. The aim of this study was to investigate the potential of Amphotericin B (AmB) niosomal hydrogel, alone and in combination with Artemisia sieberi essential oil (ASEO), as a treatment for cutaneous leishmaniasis. Niosomes were prepared by the thin-film hydration method. The results showed that the average size of AmB, ASEO, and AmB + ASEO niosomes were 80, 92, and 104 nm, respectively. The results revealed the excellent amount of drug loading for these products. In vitro studies indicated that the lethal effects of AmB, ASEO, and AmB + ASEO were 87.14, 85.31 and 89.73 %, respectively. MTT assay was applied to evaluate the cytotoxicity of various concentrations of products. The in vivo results on BALB/c mice revealed a significant reduction in lesion size in the AmB hydrogel niosomal and AmB + ASEO hydrogel niosomal. In conclusion, the results suggest that hydrogel niosomal AmB and AmB + ASEO could be considered as the novel and effective treatments for CL.
{"title":"Evaluation the biological effect of niosomal hydrogel base amphotericin in combination with Artemisia sieberi essential oil for treatment of cutaneous leishmaniasis: In vitro and in vivo studies","authors":"Hanieh Ardeshiri ,&nbsp;Amir Hossein Radfar ,&nbsp;Gholamreza Hatam ,&nbsp;Mohammad Saleh Bahreini ,&nbsp;Negar Azarpira ,&nbsp;Shreeshivadasan Chelliapan ,&nbsp;Hesam Kamyab ,&nbsp;Seyed Reza Kasaee ,&nbsp;Ali Mohammad Amani ,&nbsp;Sareh Mosleh-Shirazi","doi":"10.1016/j.rechem.2025.102185","DOIUrl":"10.1016/j.rechem.2025.102185","url":null,"abstract":"<div><div>Leishmania is an obligate intracellular parasite that is endemic in many countries. It has two main subtypes of cutaneous leishmaniasis (CL) and visceral leishmaniasis (VL). The cutaneous type is non-fatal, but immediate treatment is essential to prevent annoying cosmetic outcomes and financial burdens for patients. The current treatments for cutaneous leishmaniasis (CL) are expensive, with many side effects and indeterminate outcomes. The aim of this study was to investigate the potential of Amphotericin B (AmB) niosomal hydrogel, alone and in combination with <em>Artemisia sieberi</em> essential oil (ASEO), as a treatment for cutaneous leishmaniasis. Niosomes were prepared by the thin-film hydration method. The results showed that the average size of AmB, ASEO, and AmB + ASEO niosomes were 80, 92, and 104 nm, respectively. The results revealed the excellent amount of drug loading for these products. In vitro studies indicated that the lethal effects of AmB, ASEO, and AmB + ASEO were 87.14, 85.31 and 89.73 %, respectively. MTT assay was applied to evaluate the cytotoxicity of various concentrations of products. The in vivo results on BALB/c mice revealed a significant reduction in lesion size in the AmB hydrogel niosomal and AmB + ASEO hydrogel niosomal. In conclusion, the results suggest that hydrogel niosomal AmB and AmB + ASEO could be considered as the novel and effective treatments for CL.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102185"},"PeriodicalIF":2.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600376","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
Spectrophotometric method for detecting lead (II) ions using a chemosensor of the thiosemicarbazone-linked phenyl sulphone moiety
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-08 DOI: 10.1016/j.rechem.2025.102174
Gharam I. Mohammed , Sulafa Nassar , Thoraya A. Farghaly
For the spectrophotometric determination of lead, a novel, straightforward, and sensitive technique has been described. In an alkaline media (pH 12), lead)II (forms a yellow chelate with 2-(1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethylidene)-hydrazine-1-carbothioamide. The complex's molar absorptivity at 257 nm (λmax) is 1.6 × 103 L mol−1 cm−1, and its quantification and detection limits are 3.04 μg mL−1 (15 μmol L−1) and 1.25 μg mL−1 (6.03 μmol L−1), respectively. In the concentration range of (2.4–12) × 10−5 mol L−1, Beer's law is followed. The technique has also been used for Pb recovery investigations in water samples. The molar ratio, which was 1:1 (L: Pb2+), guaranteed that a metal complex would form between the L and Pb ions. Simple, inexpensive, easy to use, rapid detection, and sensitivity are only a few advantages of the employed technique. The isolation and study of the solid complex (L-Pb) has provided more insight into the structure and stoichiometry of the complex that forms in solution between Pb(II) and L ligand. By using analytical methods such elemental analysis, spectral mass, UV–Vis spectra, and thermal analysis, the structure of the solid complex has been clarified.
{"title":"Spectrophotometric method for detecting lead (II) ions using a chemosensor of the thiosemicarbazone-linked phenyl sulphone moiety","authors":"Gharam I. Mohammed ,&nbsp;Sulafa Nassar ,&nbsp;Thoraya A. Farghaly","doi":"10.1016/j.rechem.2025.102174","DOIUrl":"10.1016/j.rechem.2025.102174","url":null,"abstract":"<div><div>For the spectrophotometric determination of lead, a novel, straightforward, and sensitive technique has been described. In an alkaline media (pH 12), lead)II (forms a yellow chelate with 2-(1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethylidene)-hydrazine-1-carbothioamide. The complex's molar absorptivity at 257 nm (λ<sub>max</sub>) is 1.6 × 10<sup>3</sup> L mol<sup>−1</sup> cm<sup>−1</sup>, and its quantification and detection limits are 3.04 μg mL<sup>−1</sup> (15 μmol L<sup>−1</sup>) and 1.25 μg mL<sup>−1</sup> (6.03 μmol L<sup>−1</sup>), respectively. In the concentration range of (2.4–12) × 10<sup>−5</sup> mol L<sup>−1</sup>, Beer's law is followed. The technique has also been used for Pb recovery investigations in water samples. The molar ratio, which was 1:1 (L: Pb<sup>2+</sup>), guaranteed that a metal complex would form between the L and Pb ions. Simple, inexpensive, easy to use, rapid detection, and sensitivity are only a few advantages of the employed technique. The isolation and study of the solid complex (L-Pb) has provided more insight into the structure and stoichiometry of the complex that forms in solution between Pb(II) and L ligand. By using analytical methods such elemental analysis, spectral mass, UV–Vis spectra, and thermal analysis, the structure of the solid complex has been clarified.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102174"},"PeriodicalIF":2.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143593117","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
Effect of parameter variation on the coordination of 5-amino benzene-1, 3-dicarboxylic acid under the solvothermal technique for catalytic adsorption
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.rechem.2025.102169
Aba Akebi Atta-Eyison , Ruphino Zugle
The solvothermal synthesis of metal-organic frameworks (MOFs) has shown to be very effective for the formation of well-crystalline MOFs due to the presence of polar organic solvents to aid solute solubility under high temperatures and pressure. 5-Aminobenzene-1, 3-dicarboxylic acid as a linker for the synthesis of metal-organic frameworks has been identified to have rich coordination properties due to the presence of carboxylic and amino groups in its structure. In this study, two metal-organic frameworks were synthesized using 5-Aminobenzene-1, 3-dicarboxylic acid and copper (II) nitrate trihydrate under two different conditions using the solvothermal technique. The MOFs were characterized to assess the diversity in their structural formation. Characterization confirmed different MOFs, Cu-5abdc and Cu-5abdc-NH2 formed based on the evaluation of their functional group and bond formations, crystalline phases, morphology as well as thermal stability. The presence of double peaks with bands at 3243 cm−1 and 3120 cm−1 indicated the presence of the primary amine (NH2) group in Cu-5abdc-NH2. Both MOFs had some similar crystalline peaks which matched copper oxide (CuO) crystal and other different peak patterns. The MOFs were both stable and could only decompose above 200 °C. However, Cu-5abdc-NH2 was observed to be more stable in comparison with Cu-5abdc due to a broad study decomposition observed. The Cu-5abdc-NH2 also showed a more catalytic adsorption activity for the conversion and removal of Hillanthine B. The pseudo-second-order kinetic reaction rate favoured the adsorption of HB by the MOFs. The adsorption of HB on Cu-5abdc and Cu-5abdc-NH2 both fit the Freundlich model better than the Langmuir model due to the R2 values observed.
{"title":"Effect of parameter variation on the coordination of 5-amino benzene-1, 3-dicarboxylic acid under the solvothermal technique for catalytic adsorption","authors":"Aba Akebi Atta-Eyison ,&nbsp;Ruphino Zugle","doi":"10.1016/j.rechem.2025.102169","DOIUrl":"10.1016/j.rechem.2025.102169","url":null,"abstract":"<div><div>The solvothermal synthesis of metal-organic frameworks (MOFs) has shown to be very effective for the formation of well-crystalline MOFs due to the presence of polar organic solvents to aid solute solubility under high temperatures and pressure. 5-Aminobenzene-1, 3-dicarboxylic acid as a linker for the synthesis of metal-organic frameworks has been identified to have rich coordination properties due to the presence of carboxylic and amino groups in its structure. In this study, two metal-organic frameworks were synthesized using 5-Aminobenzene-1, 3-dicarboxylic acid and copper (II) nitrate trihydrate under two different conditions using the solvothermal technique. The MOFs were characterized to assess the diversity in their structural formation. Characterization confirmed different MOFs, Cu-5abdc and Cu-5abdc-NH<sub>2</sub> formed based on the evaluation of their functional group and bond formations, crystalline phases, morphology as well as thermal stability. The presence of double peaks with bands at 3243 cm<sup>−1</sup> and 3120 cm<sup>−1</sup> indicated the presence of the primary amine (NH<sub>2</sub>) group in Cu-5abdc-NH<sub>2</sub>. Both MOFs had some similar crystalline peaks which matched copper oxide (CuO) crystal and other different peak patterns. The MOFs were both stable and could only decompose above 200 °C. However, Cu-5abdc-NH<sub>2</sub> was observed to be more stable in comparison with Cu-5abdc due to a broad study decomposition observed. The Cu-5abdc-NH<sub>2</sub> also showed a more catalytic adsorption activity for the conversion and removal of Hillanthine B. The pseudo-second-order kinetic reaction rate favoured the adsorption of HB by the MOFs. The adsorption of HB on Cu-5abdc and Cu-5abdc-NH<sub>2</sub> both fit the Freundlich model better than the Langmuir model due to the R<sup>2</sup> values observed.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102169"},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143593118","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
Alginate/magnetic hydroxyapatite bio-nanocomposite hydrogel bead as a pH-responsive oral drug carrier for potential colon cancer therapy 藻酸盐/磁性羟基磷灰石生物纳米复合材料水凝胶珠作为 pH 值响应型口服药物载体,用于潜在的结肠癌治疗
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.rechem.2025.102177
Rauf Foroutan , Ali Mohammadzadeh , Siamak Javanbakht , Reza Mohammadi , Marjan Ghorbani
In this study, a biocompatible pH-sensitive magnetic nanocomposite hydrogel bead was developed as a potential oral drug carrier. Fe3O4 nanoparticles (NPs) were in situ synthesized in the presence of hydroxyapatite (HAp) NPs as substrate and the HAp-Fe3O4 nanohybrid was then incorporated into the pH-sensitive sodium alginate (SA) biopolymer. Ultimately, 5-Fluorouracil (5-FU) as an anticancer drug was successfully loaded in the SA/HAp-Fe3O4. The SA/HAp-Fe3O4 hydrogel bead shows minimal swelling in acidic environments (pH 1.2) and significant swelling in alkaline environments (pH 7.4). Additionally, drug release studies demonstrated that this drug delivery system was able to retain the drug in the acidic stomach environment and release it in the higher pH of the intestine. Kinetic analysis of the release profiles indicated that the release rate was primarily controlled by Fickian diffusion, which is a process governed by diffusion without interaction between the polymer matrix and the drug. The cytotoxicity results investigated by the MTT assay indicated good cytocompatibility for the SA/HAp/Fe3O4 magnetic nanocomposite hydrogel bead, with cell viability exceeding 85 % in 4 to 48 μg/mL (P < 0.05); however, 5-FU-loaded SA/HAp-Fe3O4 showed noticeable toxicity against HT-29 human colon cancer cells. Based on the pH-sensitivity, controlled release, and cytotoxicity data, the prepared magnetic nanocomposite hydrogel bead could serve as a targeted oral drug delivery system for colon cancer therapy.
{"title":"Alginate/magnetic hydroxyapatite bio-nanocomposite hydrogel bead as a pH-responsive oral drug carrier for potential colon cancer therapy","authors":"Rauf Foroutan ,&nbsp;Ali Mohammadzadeh ,&nbsp;Siamak Javanbakht ,&nbsp;Reza Mohammadi ,&nbsp;Marjan Ghorbani","doi":"10.1016/j.rechem.2025.102177","DOIUrl":"10.1016/j.rechem.2025.102177","url":null,"abstract":"<div><div>In this study, a biocompatible pH-sensitive magnetic nanocomposite hydrogel bead was developed as a potential oral drug carrier. Fe<sub>3</sub>O<sub>4</sub> nanoparticles (NPs) were in situ synthesized in the presence of hydroxyapatite (HAp) NPs as substrate and the HAp-Fe<sub>3</sub>O<sub>4</sub> nanohybrid was then incorporated into the pH-sensitive sodium alginate (SA) biopolymer. Ultimately, 5-Fluorouracil (5-FU) as an anticancer drug was successfully loaded in the SA/HAp-Fe<sub>3</sub>O<sub>4</sub>. The SA/HAp-Fe<sub>3</sub>O<sub>4</sub> hydrogel bead shows minimal swelling in acidic environments (pH 1.2) and significant swelling in alkaline environments (pH 7.4). Additionally, drug release studies demonstrated that this drug delivery system was able to retain the drug in the acidic stomach environment and release it in the higher pH of the intestine. Kinetic analysis of the release profiles indicated that the release rate was primarily controlled by Fickian diffusion, which is a process governed by diffusion without interaction between the polymer matrix and the drug. The cytotoxicity results investigated by the MTT assay indicated good cytocompatibility for the SA/HAp/Fe<sub>3</sub>O<sub>4</sub> magnetic nanocomposite hydrogel bead, with cell viability exceeding 85 % in 4 to 48 μg/mL (<em>P</em> &lt; 0.05); however, 5-FU-loaded SA/HAp-Fe<sub>3</sub>O<sub>4</sub> showed noticeable toxicity against HT-29 human colon cancer cells. Based on the pH-sensitivity, controlled release, and cytotoxicity data, the prepared magnetic nanocomposite hydrogel bead could serve as a targeted oral drug delivery system for colon cancer therapy.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102177"},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628776","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
Pd nanoparticles and anionic Pd catalyst: Potent catalyst for Heck reaction
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.rechem.2025.102173
Yavar Ahmadi , Sima Majidi
One of the paramount techniques in the arsenal of organic synthesis is catalysis involving palladium derivatives. Regardless of whether researchers intentionally design Pd nanoparticles, these structures can function as key precatalysts in the creation of common CC bonds. Additionally, recent research has demonstrated that anionic Pd complexes serve as effective catalysts for various catalytic cross-coupling reactions. Considering the importance of palladium nanoparticles and anionic palladium catalysts in the creation of CC bonds, in this review we have discussed the latest research on the use of palladium nanoparticles catalysts coupled with chitosan, pectin, chitin, MOFs, carbon nanotubes, Fe3O4, and Pd NPs based on complex as well as anionic Pd catalysts in the Heck reaction.
钯衍生物催化技术是有机合成领域最重要的技术之一。无论研究人员是否有意设计钯纳米粒子,这些结构都能在生成普通 CC 键时起到关键的前催化剂作用。此外,最近的研究表明,阴离子钯配合物是各种催化交叉偶联反应的有效催化剂。考虑到钯纳米粒子和阴离子钯催化剂在生成 CC 键中的重要性,我们在本综述中讨论了在 Heck 反应中使用钯纳米粒子催化剂与壳聚糖、果胶、甲壳素、MOFs、碳纳米管、Fe3O4 和基于钯纳米粒子的络合物以及阴离子钯催化剂的最新研究。
{"title":"Pd nanoparticles and anionic Pd catalyst: Potent catalyst for Heck reaction","authors":"Yavar Ahmadi ,&nbsp;Sima Majidi","doi":"10.1016/j.rechem.2025.102173","DOIUrl":"10.1016/j.rechem.2025.102173","url":null,"abstract":"<div><div>One of the paramount techniques in the arsenal of organic synthesis is catalysis involving palladium derivatives. Regardless of whether researchers intentionally design Pd nanoparticles, these structures can function as key precatalysts in the creation of common C<img>C bonds. Additionally, recent research has demonstrated that anionic Pd complexes serve as effective catalysts for various catalytic cross-coupling reactions. Considering the importance of palladium nanoparticles and anionic palladium catalysts in the creation of C<img>C bonds, in this review we have discussed the latest research on the use of palladium nanoparticles catalysts coupled with chitosan, pectin, chitin, MOFs, carbon nanotubes, Fe<sub>3</sub>O<sub>4</sub>, and Pd NPs based on complex as well as anionic Pd catalysts in the Heck reaction.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102173"},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629198","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
Exploring antidiabetic potential of Nigella sativa and Silybum marianum seed extracts through bioassay-guided alpha-amylase inhibition activity and characterization of bioactive fractions
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.rechem.2025.102183
Kainat Nasir , Syeda Laila Rubab , Hina Fatima , Farzana Shamim , Abdul Tawab , Iqra Arshad , Riffat Iqbal , Sofia Parveen , Mubshara Saadia , Bakar Bin Khatab Abbasi , Ali Irfan , Mohammad Raish , Yousef A. Bin Jardan
Diabetes mellitus is a global health threat, and natural remedies are gaining attention due to the severe side effects of synthetic drugs. The current study explores the antidiabetic potential of individual seed extracts and their combination prepared from Nigella sativa and Silybum marianum plants through a bioassay-guided study using alpha-amylase. The characterized column fraction F5 isolated from an herbal combination of N. sativa and S. marianum seed extracts showed the highest alpha-amylase inhibition activity (79.54 %) than the fractions of individual extracts, N. sativa fraction F7 (66.83 %) and S. marianum fraction F4 (68.87 %) in comparison with standard drug acarbose (78.65 %). The fractions with the highest percent inhibition activity were analyzed through FTIR, indicating the existence of different functional groups corresponding to diversity of bioactive compounds in fractions F5, F7, and F4. However, the highest number of peaks were noted in the F5 fraction (from combined extract). The isolated fraction F5 exhibited significant antidiabetic potential due to the presence of important phytochemicals, including mostly fatty acids, some phenolic compounds, steroids, alkaloids, vitamins, and organic acids, which may be manipulated for the development of some herbal drugs to safely manage diabetes in future studies after in-vivo and clinical trials.
{"title":"Exploring antidiabetic potential of Nigella sativa and Silybum marianum seed extracts through bioassay-guided alpha-amylase inhibition activity and characterization of bioactive fractions","authors":"Kainat Nasir ,&nbsp;Syeda Laila Rubab ,&nbsp;Hina Fatima ,&nbsp;Farzana Shamim ,&nbsp;Abdul Tawab ,&nbsp;Iqra Arshad ,&nbsp;Riffat Iqbal ,&nbsp;Sofia Parveen ,&nbsp;Mubshara Saadia ,&nbsp;Bakar Bin Khatab Abbasi ,&nbsp;Ali Irfan ,&nbsp;Mohammad Raish ,&nbsp;Yousef A. Bin Jardan","doi":"10.1016/j.rechem.2025.102183","DOIUrl":"10.1016/j.rechem.2025.102183","url":null,"abstract":"<div><div>Diabetes mellitus is a global health threat, and natural remedies are gaining attention due to the severe side effects of synthetic drugs. The current study explores the antidiabetic potential of individual seed extracts and their combination prepared from <em>Nigella sativa</em> and <em>Silybum marianum</em> plants through a bioassay-guided study using alpha-amylase. The characterized column fraction F5 isolated from an herbal combination of <em>N. sativa</em> and <em>S. marianum</em> seed extracts showed the highest alpha-amylase inhibition activity (79.54 %) than the fractions of individual extracts, <em>N. sativa</em> fraction F7 (66.83 %) and <em>S. marianum</em> fraction F4 (68.87 %) in comparison with standard drug acarbose (78.65 %). The fractions with the highest percent inhibition activity were analyzed through FTIR, indicating the existence of different functional groups corresponding to diversity of bioactive compounds in fractions F5, F7, and F4. However, the highest number of peaks were noted in the F5 fraction (from combined extract). The isolated fraction F5 exhibited significant antidiabetic potential due to the presence of important phytochemicals, including mostly fatty acids, some phenolic compounds, steroids, alkaloids, vitamins, and organic acids, which may be manipulated for the development of some herbal drugs to safely manage diabetes in future studies after <em>in-vivo</em> and clinical trials.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102183"},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600387","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
Synthesis of porous volcanic tuff-based geopolymer for nickel and cobalt removal
IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-07 DOI: 10.1016/j.rechem.2025.102179
Faris Matalkah , Marwa Bani Hani , Idrees Al-Momani
This study investigates the synthesis and application of porous volcanic tuff-based geopolymers for the efficient removal of Ni2+ and Co2+ ions from aqueous solutions. The geopolymer was prepared using volcanic tuff as the primary aluminosilicate source, activated with sodium hydroxide, and foamed with hydrogen peroxide to enhance porosity. The synthesized geopolymer was characterized using SEM and XRD. Batch adsorption studies were conducted to assess the effects of pH, contact time, initial metal concentration, and geopolymer dose on removal efficiency. Results indicated that the geopolymer exhibited superior adsorption capacity compared to raw volcanic tuff, with maximum removal efficiencies of 86.72 % for Co2+ and 81.27 % for Ni2+ at optimal conditions (pH 6, 180 min contact time). Adsorption data were best fitted to the Langmuir isotherm model, indicating monolayer adsorption on a homogeneous surface, with maximum adsorption capacities of 3.19 mg/g for Ni2+ and 2.40 mg/g for Co2+. The thermodynamic parameters ΔG°, ΔH°, and ΔS° suggest that the geopolymer adsorption is favorable, and the process is endothermic and significantly more effective at higher temperatures.
{"title":"Synthesis of porous volcanic tuff-based geopolymer for nickel and cobalt removal","authors":"Faris Matalkah ,&nbsp;Marwa Bani Hani ,&nbsp;Idrees Al-Momani","doi":"10.1016/j.rechem.2025.102179","DOIUrl":"10.1016/j.rechem.2025.102179","url":null,"abstract":"<div><div>This study investigates the synthesis and application of porous volcanic tuff-based geopolymers for the efficient removal of Ni<sup>2+</sup> and Co<sup>2+</sup> ions from aqueous solutions. The geopolymer was prepared using volcanic tuff as the primary aluminosilicate source, activated with sodium hydroxide, and foamed with hydrogen peroxide to enhance porosity. The synthesized geopolymer was characterized using SEM and XRD. Batch adsorption studies were conducted to assess the effects of pH, contact time, initial metal concentration, and geopolymer dose on removal efficiency. Results indicated that the geopolymer exhibited superior adsorption capacity compared to raw volcanic tuff, with maximum removal efficiencies of 86.72 % for Co<sup>2+</sup> and 81.27 % for Ni<sup>2+</sup> at optimal conditions (pH 6, 180 min contact time). Adsorption data were best fitted to the Langmuir isotherm model, indicating monolayer adsorption on a homogeneous surface, with maximum adsorption capacities of 3.19 mg/g for Ni<sup>2+</sup> and 2.40 mg/g for Co<sup>2+</sup>. The thermodynamic parameters ΔG°, ΔH°, and ΔS° suggest that the geopolymer adsorption is favorable, and the process is endothermic and significantly more effective at higher temperatures.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102179"},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620210","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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