ChemistrySelect最新文献

{"title":"Investigating Gene Delivery Efficiency of Poly(β-amino ester) Derived From Poly(ethylene glycol) Diacrylate","authors":"Dang Bao Tram Ngo,&nbsp;Thi Anh Ngoc Dong,&nbsp;Khanh Vi Nguyen,&nbsp;Trong Nghia Kieu,&nbsp;Thi Thu Hoai Nguyen,&nbsp;Ut Dong Thach","doi":"10.1002/slct.202403027","DOIUrl":"https://doi.org/10.1002/slct.202403027","url":null,"abstract":"<p>Poly(β-amino ester) (PβAE)-based polymers hold promise for bacterial gene transfer due to their ability to form stable complexes with genetic material and facilitate efficient delivery into bacterial cells. These polymers are easily modified to improve uptake and protect DNA or RNA from degradation, providing a safer, more controlled alternative to traditional methods like chemical transformation or electroporation. In this study, we evaluated the gene transformation efficiency of cationic PβAE polymer, which was synthesized through an aza-Michael addition reaction between piperazine and poly(ethylene glycol) diacrylate. Competent cells from <i>E. coli</i> strain DH5α were prepared with the optimized method using Ca²⁺ and Mg²⁺ ions. Different concentrations of the polymer were mixed with pRSET-EmGFP before transforming into competent cells through the heat shock method. Transformed cells were checked on medium containing ampicillin, and by using colony PCR, transformation efficiency was calculated. Based on our findings, we observed a successful transformation of the <i>EmGFP</i> gene in case of having the polymer. Furthermore, the PβAE at high concentrations (20–100 ng µL⁻¹) increased transformation efficiency more than twice as compared to the case of no polymer added. In conclusion, PβAE can effectively increase transformation efficiency.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762177","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":"Photocatalytic Degradation of PCB 153 Using Fe3O4@SiO2@TiO2-Co Core-Shell Nanocomposite","authors":"B. Alshahrani,&nbsp;A. H. Korna,&nbsp;S. Fares,&nbsp;Montasir Salman","doi":"10.1002/slct.202404470","DOIUrl":"https://doi.org/10.1002/slct.202404470","url":null,"abstract":"<p>This study investigates the photocatalytic degradation of PCB 153 using Fe₃O₄@SiO₂@TiO₂-Co core-shell nanocomposites under LED irradiation. The unique core-shell structure, incorporating a magnetic Fe₃O₄ core, a protective SiO2 layer, and a photoactive TiO₂ shell doped with Co, enhances light absorption, charge separation, and stability. The effects of various parameters, including catalyst dosage, initial pollutant concentration, solution pH, H₂O₂ concentration, reaction time, and cosolvent type, were investigated to optimize the degradation process. The results demonstrated the high efficiency of the Fe₃O₄@SiO₂@TiO₂-Co nanocomposite in degrading PCB 153, with a maximum degradation efficiency of 95.2% under optimal conditions. The magnetic properties of the Fe₃O₄ core enable easy separation and recovery of the catalyst, making it a sustainable and cost-effective solution. This study provides valuable insights into the design and application of advanced photocatalysts for environmental remediation.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762183","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":"Incorporation of Bimetallic Nanoparticles in Zeolitic Imidazolate Framework-67 (ZIF-67) for Use as a Catalyst for Ethanol Oxidation","authors":"Kalli Sai Bhavani,&nbsp;Tummala Anusha,&nbsp;Shaik Nagul Shareef,&nbsp;Mattupalli Bujji Babu","doi":"10.1002/slct.202402866","DOIUrl":"https://doi.org/10.1002/slct.202402866","url":null,"abstract":"<p>Recently, direct ethanol fuel cells (DEFCs) have been attaining a crucial role in energy resources and transportable devices. Many of the researchers in DEFCs has begin to engage considerable focus due to their high electrocatalytic activity, enormous stability, portability, and inexpensive. In this study, we present an anchoring of bimetallic Pd-Cu nanoparticles supported ZIF-67 catalyst (Pd-Cu@ZIF-67) for high-performance electro-oxidation of ethanol for direct alcohol fuel cells (DAFCs) applications. Structural, morphological, and elemental composition of the proposed catalyst were examined by using UV–vis spectroscopy, XRD, FE-SEM, and EDX. Further, the electrochemical properties of Pd-Cu@ZIF-67 catalyst for ethanol oxidation in basic media were explored by using various electrochemical techniques. According to the results, the suggested catalyst showed maximum ECSA (128.7 m²g⁻¹), higher current density (894.06 mA cm⁻²), durability (750s), and improved long-term stability (230 cycles) than the other controlled catalysts towards ethanol oxidation reaction. This enhanced of the Pd-Cu@ZIF-67 catalyst is to the synergistic effects of Pd-Cu nanoparticles and outstanding support material (ZIF-67). These findings highly suggest the Pd-Cu@ZIF-67 catalyst as an anodic potential material in fuel cell applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142759850","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":"Composite Shell Microcapsules With Room Temperature Phase-Change Properties and High Thermal Storage Density","authors":"Minrui Chen,&nbsp;Xin Wang,&nbsp;Huaiyang Luan,&nbsp;Zhiqin Liu,&nbsp;Xianliang Huo","doi":"10.1002/slct.202403442","DOIUrl":"https://doi.org/10.1002/slct.202403442","url":null,"abstract":"<p>Inorganic hydrated salts, noted for their high thermal storage density, excellent thermal conductivity, and non-toxicity, are suitable candidate material for thermal management, particularly in enhancing human living environments when their phase transition points are near room temperature. Herein, we present an efficient and environmentally friendly microencapsulation method for inorganic hydrated salt through organic phase separation method. Eutectic hydrated salt (EHS) consisted of sodium carbonate decahydrate (SCD) and disodium hydrogen phosphate dodecahydrate (DHPD) was prepared as the core material while the mixture of ethyl cellulose (EC) and acrylonitrile-butadiene-styrene (ABS) as composite shell materials. Various characterization techniques were used to evaluate the micromorphology, chemical structure, thermal properties and thermal stability of the microcapsules. The resulting microcapsules exhibited a phase change temperature of 22.6 °C with a remarkable enthalpy of 131.4 J/g. Particularly, the enthalpy remained at 117.7 J/g even after 50 thermal cycles, indicating stable cycling thermal reliability. Furthermore, it was confirmed that the EHS was effectively encapsulated within the composite shell, and the microcapsules had a quasi-spherical shape and core-shell structure. More importantly, this method of microencapsulation could potentially be extended to other liquid hydrated salts at room temperature, offering a versatile approach for future applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762079","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":"Glacium flavum-Derived Phytochemical Compounds and Their Molecular Interactions with SIRT1","authors":"Erdi Can Aytar","doi":"10.1002/slct.202403811","DOIUrl":"https://doi.org/10.1002/slct.202403811","url":null,"abstract":"<p>This study investigates the antioxidant activity, phenolic content, and phytochemical components of <i>Glacium flavum</i> root extract. The DPPH radical scavenging activity was found to be 87.01 µg/mL ± 4.98, iron chelating activity 7.49 mg/mL ± 0.36, total phenolic content 594.39 mg GAE/g extract ± 17.90, and total flavonoid content 44.30 mg QE/g extract ± 4.76. These results indicate that <i>G. flavum</i> root extract possesses significant antioxidant properties and rich phytochemical components. Gas chromatography–mass spectrometry (GC–MS) analysis identified 11 biologically active components. Fatty acid composition analysis revealed lauric acid (1.26%), myristic acid (1.20%), palmitic acid (14.58%), stearic acid (3.40%), oleic acid (4.41%), linoleic acid (20.00%), and alpha-linolenic acid (41.43%). Molecular docking studies demonstrated significant binding interactions of alpha-linolenic acid and ethyl oxirane-2-carboxylate with the SIRT1 catalytic domain (4I5I), with binding energies of −4.5 kcal/mol and −4.2 kcal/mol, respectively. Additionally, (2S)-2-hydroxybutanedioic acid and butane-2,3-diol also exhibited notable interactions. Toxicity profiles showed that alpha-linolenic acid and butane-2,3-diol have lower toxicity, while 2-ethyl oxirane-2-carboxylate and (2S)-2-hydroxybutanedioic acid displayed moderate toxicity. Drug-likeness evaluations indicate that the compounds meet various medicinal chemistry criteria, each facing development challenges. Overall, this study provides a comprehensive overview of the antioxidant potential, biologically active components, and toxicological characteristics of <i>G. flavum</i> root extract.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762180","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":"Preparing Sustainable Membranes Made From Zeolite–Smectite for Treating Textile Wastewater and Pulp Industry Wastewater","authors":"Yassine Khmiri,&nbsp;Afef Attia,&nbsp;Noureddine Elboughdiri,&nbsp;Djamel Ghernaout,&nbsp;Catherine Charcosset,&nbsp;Lasâad Dammak,&nbsp;Raja Ben Amar","doi":"10.1002/slct.202404190","DOIUrl":"https://doi.org/10.1002/slct.202404190","url":null,"abstract":"<p>Low-cost separation techniques are crucial for treating wastewater. Developing inexpensive membranes made from natural materials has become a popular research area in recent years. Tubular membranes were produced by adding 10% organic additives to a mixture of 80% zeolite and 10% smectite. New composite ceramic membranes from zeolite and smectite were prepared using the extrusion method to create a plastic paste and characterized using XRD, SEM, EPMA, and FTIR. The impact of sintering temperature (<i>T</i>_sint, 850–950 °C) on membrane properties, such as microstructure, mechanical strength (MS), water permeability, and filtration performance, was investigated. The MS and shrinkage rate increased with <i>T</i>_sint. At 950 °C, the resulting composite membrane exhibited a high MS of over 65 MPa, a relatively low porosity of 30%, appropriate for membrane filtration, and a water permeability of 65 L·h⁻¹·m⁻²·bar⁻¹. When applied to remove pollutants from wastewater, this membrane demonstrated a high color retention of 98.4% from an aqueous Evans blue-colored solution (Effluent 1). For extensive application to wastewater treatment, this membrane showed a high-efficiency level for treating real effluent produced by the pulp industry, removing 62.4% of chemical oxygen demand, 36% of hardness, and 82% of color. Finally, an ultrasonic cleaning procedure allowed the restoration of 70% of the initial permeability after four cycles for both effluents. Thanks to the exciting properties offered by these membranes and their competitive cost of less than $ 20·m⁻², these membranes are appropriate for treating industrial wastewater.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762179","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":"Theoretical Investigations of Bioactive Substituted 2-Amino-3,5-dicarbonitrile-6-thiopyridine Derivatives","authors":"Pragati Sharma,&nbsp;Assoc. Prof. Pragya Sinha","doi":"10.1002/slct.202404413","DOIUrl":"https://doi.org/10.1002/slct.202404413","url":null,"abstract":"<p>This study utilizes the density functional theory (DFT) (B3LYP method and 6–31 + G* basis set)-based method to theoretically investigate substituted 2-amino-3,5-dicarbonitrile-6-thiopyridine derivatives within a prevalent multicomponent reaction involving aldehyde, malononitrile, and thiophenol. Various reactivity descriptors, including frontier molecular orbitals, dipole moment, polarizability, and molecular electrostatic potential, are computed to understand the variations in reactivity and stability of these compounds. The results demonstrate the reliability of DFT-derived descriptors in predicting chemical reactivity and provide valuable insights for further research and practical applications in the field of chemical reactivity and reaction mechanisms. Geometric parameters, along with thermodynamic variables, such as standard enthalpies (Δ<i>H</i>), entropies (Δ<i>S</i>), Gibbs free energy (Δ<i>G</i>), and global reactivity descriptors (ionization potential (<i>I</i>), electron affinity (<i>A</i>), chemical hardness (<i>η</i>), softness (<i>σ</i>), global softness (<i>S</i>), chemical potential (<i>μ</i>), global electrophilicity (<i>ω</i>), and nucleophilicity index (<i>N</i>), are calculated to gain insight into the dynamics of these interactions and variations in reactivity and stability.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758059","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 Silico Molecular Dynamics and 3D-QSAR Study on Thiazolidinedione Derivatives as Dual Inhibitors of DPP IV and PTP1B (DDPI's) for the Management of T2DM","authors":"Yogesh Singh,&nbsp;Suresh Thareja","doi":"10.1002/slct.202400191","DOIUrl":"https://doi.org/10.1002/slct.202400191","url":null,"abstract":"<p>Simultaneous inhibition of dipeptidyl peptidase IV and protein tyrosine phosphatase 1B as DDPI's emerged as a therapeutic intervention for the management of T2DM. In the present study, we have employed molecular dynamics simulation in conjugation with the field-based 3D QSAR studies on a dataset having DDPI activities to identify the spatial fingerprints of target-specific thiazolidinedione analogs. Separate contours were generated for both DPP IV and PTP1B showing respective pharmacophoric structural requirements for optimal inhibitory activity. These developed 3D QSAR models also showed good statistical measures (DPP IV: <i>r</i>²= 0.9468; <i>q</i>²= 0.7173, and PTP1B: <i>r</i>²= 0.9718; <i>q</i>²= 0.819) with the excellent predictive ability with PLS-generated validation constraints. Comparative steric and electrostatic features were elucidated using respective contour maps for selective target-specific favorable activity. Furthermore, molecular docking was used for elucidating the mode of binding as DDPI's to DPP IV and PTP1B, along with MD simulation (200 ns) analysis such as RMSD, RMSF, R_g, SASA, PCA, and FEL. These studies revealed that all the protein-ligand docked complexes elicited an overall better stability as compared to reference ligand (vildagliptin or ertiprotafib) complexes. Molecular docking studies revealed that compound <b>24</b> (DPP IV: −150.667 kcal/mol; PTP1B: −142.792 kcal/mol) showed maximum affinity toward both the proteins DPP IV and PTP1B, as compared to their respective standard inhibitor, i.e., vildagliptin −99.9843 kcal/mol and ertiprotafib −125.399 kcal/mol, respectively. A comparative study of these developed multitargeted QSAR models along with molecular docking and dynamics study were employed for the optimization of drug candidates as DDPI's. Compound <b>24</b> showed most stable behavior in the binding pockets of both the enzymes, as compared to their respective standard inhibitors. This study will be helpful in designing novel DDPIs with appropriately substitute thiazolidinedione for the management of T2DM. The designed compound YSR-14 exhibited the predicted <i>IC</i>₅₀ values of 0.143 µM in DPP IV and 0.158 µM in PTP1B along with their excellent binding affinity against both targets.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758101","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":"Impact of TiO2 Nanoparticles as Protective Sunscreen Cream on Earthworms via Histological and Electron Microscopic Studies","authors":"Asmaa F. A. Dawood,&nbsp;Dalia A. Hamad,&nbsp;Fatma El-Zahraa A. Abd El-Aziz,&nbsp;Asmaa R. Abdel-Malek,&nbsp;Salma Osman Taha,&nbsp;Abeir Bashir Hasan,&nbsp;Mostafa A. Asmaey","doi":"10.1002/slct.202404928","DOIUrl":"https://doi.org/10.1002/slct.202404928","url":null,"abstract":"<p>Maintaining the stability of environmental organisms is crucial for their survival, yet it face significant challenges due to climate change, particularly ultraviolet (UV) radiation. UV radiation can cause severe damage to DNA, and lead to morphological changes, deformities, and even death. This damage can be mitigated through the use of protective creams manufactured using nanotechnology. In this work, we investigate the effects of UV-C radiation on earthworms, with a focus on their skin damage response. We employed histological examination and electron microscopy to study these effects in detail. Our findings reveal that earthworms display extreme sensitivity when exposed to UV-C light. As an initial defensive response, they produce a subterranean fluid post-autopsy. However, increased doses of UV-C lead to tissue inflammation and subsequent death. Notably, when TiO₂ nanoparticles were applied before UV-C exposure, they effectively protected the worms from UV-induced damage. This study provides valuable insights into the impact of UV radiation on earthworms and highlights the potential of nanotechnology in offering protection.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758100","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":"Bioavailability and Pharmacological Properties of Shikonin- A Phytocompound from Lithospermum Erythrorhizon","authors":"Stuti Biswal,&nbsp;Bijesh K Biswal","doi":"10.1002/slct.202403504","DOIUrl":"https://doi.org/10.1002/slct.202403504","url":null,"abstract":"<p>Lithospermum erythrorhizon, commonly known as gromwell, is a valuable medicinal plant with a wide range of pharmacological activities. Its roots are rich in bioactive compounds such as phenolic acids, flavonoids, naphthoquinones, alkaloids, and other phytochemicals. Among these, shikonin, a naphthoquinone, stands out due to its remarkable pharmacological properties, including anti-inflammatory, antimicrobial, and anticancer activities. This review provides an overview of the plant's morphology, distribution, ethnomedical applications, and phytochemistry, with a particular focus on shikonin. Online databases like PubMed, Google Scholar, Web of Science, and Scopus were used to gather information using keywords such as Lithospermum erythrorhizon, shikonin, phytochemistry, and pharmacological activities. Findings highlight that shikonin demonstrates significant pharmacodynamic effects, particularly in cancer therapy. However, its hydrophobic nature limits its bioavailability. To address this, encapsulating shikonin in advanced drug delivery systems, such as micelles, can enhance its solubility, stability, and therapeutic efficacy. This review underscores the potential of shikonin as a novel drug for treating various diseases, especially cancer, and emphasizes the importance of innovative delivery strategies to maximize its clinical applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"9 45","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758099","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}