New Journal of Chemistry最新文献

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Expression of concern: Palladium NPs supported on novel imino-pyridine-functionalized MWCNTs: efficient and highly reusable catalysts for the Suzuki–Miyaura and Sonogashira coupling reactions 表达关切:新型亚氨基吡啶功能化 MWCNT 上支持的钯(Palladium NPs):Suzuki-Miyaura 和 Sonogashira 偶联反应的高效且可高度重复使用的催化剂
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-27 DOI: 10.1039/D4NJ90143F
Mehdi Adib, Rahman Karimi-Nami and Hojat Veisi
{"title":"Expression of concern: Palladium NPs supported on novel imino-pyridine-functionalized MWCNTs: efficient and highly reusable catalysts for the Suzuki–Miyaura and Sonogashira coupling reactions","authors":"Mehdi Adib, Rahman Karimi-Nami and Hojat Veisi","doi":"10.1039/D4NJ90143F","DOIUrl":"https://doi.org/10.1039/D4NJ90143F","url":null,"abstract":"<p >Expression of concern for ‘Palladium NPs supported on novel imino-pyridine-functionalized MWCNTs: efficient and highly reusable catalysts for the Suzuki–Miyaura and Sonogashira coupling reactions’ by Mehdi Adib <em>et al.</em>, <em>New J. Chem.</em>, 2016, <strong>40</strong>, 4945–4951, https://doi.org/10.1039/C5NJ02842F.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/nj/d4nj90143f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142397559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spin crossover behaviour of asymmetrical iron(iii) Schiff base complexes from ethylenediamine† 乙二胺不对称铁(iii)席夫碱配合物的自旋交叉行为
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-26 DOI: 10.1039/D4NJ03532A
Dawit Tesfaye, Mamo Gebrezgiabher, Jonas Braun, Taju Sani, Abbasher Gismelseed, Tim Hochdörffer, Volker Schünemann, Juraj Kuchár, Juraj Černák, Christopher E. Anson, Madhu Thomas and Annie K. Powell
{"title":"Spin crossover behaviour of asymmetrical iron(iii) Schiff base complexes from ethylenediamine†","authors":"Dawit Tesfaye, Mamo Gebrezgiabher, Jonas Braun, Taju Sani, Abbasher Gismelseed, Tim Hochdörffer, Volker Schünemann, Juraj Kuchár, Juraj Černák, Christopher E. Anson, Madhu Thomas and Annie K. Powell","doi":"10.1039/D4NJ03532A","DOIUrl":"https://doi.org/10.1039/D4NJ03532A","url":null,"abstract":"<p >Novel asymmetrical Fe(<small>III</small>) Schiff base coordination complexes, with the N<small><sub>4</sub></small>O<small><sub>2</sub></small> coordination environment, exhibiting abrupt spin crossover (SCO) behaviour with a wide hysteresis loop of 27 K, have been synthesised from an ethylenediamine based asymmetrical Schiff base ligand <em>viz. N</em>-(2-aminoethyl)salicylaldimine (saen) and characterised <em>via</em> single crystal XRD measurements, variable temperature magnetic studies and Mössbauer measurements. The single crystal XRD measurements prove that the compound is a mixture of two fractions, one with methanol and the other without methanol, <em>viz</em>, [Fe(saen)<small><sub>2</sub></small>]NO<small><sub>3</sub></small>·CH<small><sub>3</sub></small>OH at 299 K (<strong>1–299</strong>) and at 173 K (<strong>1–173</strong>) and [Fe(saen)<small><sub>2</sub></small>]NO<small><sub>3</sub></small> at 173 K (<strong>2–173</strong>), confirming that the Fe(<small>III</small>) centre has a distorted octahedral coordination geometry having two deprotonated asymmetrical tridentate saen ligands, counterbalanced by a nitrate anion and methanol solvent molecule in <strong>1</strong> while <strong>2</strong> has a non-solvate form. An extended hydrogen bonding network between the amino hydrogen atoms of the saen ligand, nitrate counteranion, and methanol solvate molecule is observed in fraction <strong>1</strong>, while an extended zig-zag hydrogen bonding between the nitrate anion and amino hydrogens of saen is observed in fraction <strong>2</strong>. Furthermore, the complex has been characterised by variable temperature magnetic susceptibility measurements and <small><sup>57</sup></small>Fe Mössbauer spectroscopy, confirming the SCO nature.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CsF-mediated reaction of diazo compounds with 3-nitroindoles: access to cyano- and phosphonylpyrazolo[4,3-b]indoles† CsF 介导的重氮化合物与 3-硝基吲哚的反应:获得氰基和磷酰吡唑并[4,3-b]吲哚†。
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-26 DOI: 10.1039/D4NJ03266G
Sandeep Kumar, Ashis Kumar Gupta, Narendra Kumar Vaishanv, Ruchir Kant and Kishor Mohanan
{"title":"CsF-mediated reaction of diazo compounds with 3-nitroindoles: access to cyano- and phosphonylpyrazolo[4,3-b]indoles†","authors":"Sandeep Kumar, Ashis Kumar Gupta, Narendra Kumar Vaishanv, Ruchir Kant and Kishor Mohanan","doi":"10.1039/D4NJ03266G","DOIUrl":"https://doi.org/10.1039/D4NJ03266G","url":null,"abstract":"<p >A CsF-promoted synthesis of cyanopyrazolo[4,3-<em>b</em>]indoles <em>via</em> a [3+2] cycloaddition reaction of diazoacetonitrile with <em>N</em>-substituted 3-nitroindoles and subsequent elimination of the nitro group has been devised. This protocol delivers diverse cyano-containing pyrazole-fused indoles in good to excellent yields under mild conditions. Besides diazoacetonitrile, the Seyferth–Gilbert reagent (SGR) readily participated in this reaction to provide facile access to phosphonylated pyrazolo[4,3-<em>b</em>]indoles.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrothermal synthesis of arginine decorated NaxLiyPr(MoO4)2:Tb3+ and NaxLiyPr(WO4)2:Tb3+ nanomaterials: photocatalytic degradation and luminescent sensing of picric acid in an aqueous medium† 精氨酸装饰的 NaxLiyPr(MoO4)2:Tb3+ 和 NaxLiyPr(WO4)2:Tb3+ 纳米材料的水热合成:水介质中苦味酸的光催化降解和发光传感†。
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-25 DOI: 10.1039/D4NJ02567A
Swaita Devi, Charanjeet Sen, Nidhi Bhagat, Richa Singhaal and Haq Nawaz Sheikh
{"title":"Hydrothermal synthesis of arginine decorated NaxLiyPr(MoO4)2:Tb3+ and NaxLiyPr(WO4)2:Tb3+ nanomaterials: photocatalytic degradation and luminescent sensing of picric acid in an aqueous medium†","authors":"Swaita Devi, Charanjeet Sen, Nidhi Bhagat, Richa Singhaal and Haq Nawaz Sheikh","doi":"10.1039/D4NJ02567A","DOIUrl":"https://doi.org/10.1039/D4NJ02567A","url":null,"abstract":"&lt;p &gt;Many common explosives are mostly composed of nitro-compounds. Picric acid (PA) has emerged as a potential alternative due to its great explosive capability. Moreover, PA is also a serious groundwater contaminant due to its high-water solubility. As a result, the development of advanced sensors and catalysts to enable the precise detection and elimination of PA in water and food samples is critical for public health and the environment. In the present investigation, we developed Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(MoO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg and Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(WO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg (&lt;em&gt;x&lt;/em&gt; = 10 mmol and &lt;em&gt;y&lt;/em&gt; = 5 mmol) &lt;em&gt;via&lt;/em&gt; a hydrothermal process and established their potency for photoluminescence (PL) detection and photocatalytic degradation of PA. The characterization of the produced nanoparticles was done by various techniques. The PL characteristics of Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(MoO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg show that it is highly sensitive and selectively detects PA in an aqueous medium. The predominant emission band at 545 nm exhibited a distinguished quenching with the introduction of PA solution in the colloidal solution of the prepared nanomaterials. The Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(MoO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg demonstrated exceptional selectivity and sensitivity against PA, with a limit of detection (LOD) of 0.44 ppm and a quenching constant (&lt;em&gt;K&lt;/em&gt;&lt;small&gt;&lt;sub&gt;SV&lt;/sub&gt;&lt;/small&gt;) of 2.74 × 10&lt;small&gt;&lt;sup&gt;4&lt;/sup&gt;&lt;/small&gt; M&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;. Alternatively, the Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(WO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg showed remarkable photocatalytic activity for PA degradation. The UV-Vis spectroscopy findings specify that Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(WO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg (&lt;em&gt;E&lt;/em&gt;&lt;small&gt;&lt;sub&gt;g&lt;/sub&gt;&lt;/small&gt; = 2.95 eV) might operate as a superior photocatalyst compared to Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(MoO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg (&lt;em&gt;E&lt;/em&gt;&lt;small&gt;&lt;sub&gt;g&lt;/sub&gt;&lt;/small&gt; = 3.38 eV) nanoparticles. The degradation efficacy of Na&lt;small&gt;&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Li&lt;small&gt;&lt;sub&gt;&lt;em&gt;y&lt;/em&gt;&lt;/sub&gt;&lt;/small&gt;Pr(WO&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;:Tb&lt;small&gt;&lt;sup&gt;3+&lt;/sup&gt;&lt;/small&gt;@Arg towar","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Copper-catalyzed photoredox reaction of aldehydes with O-benzoyl hydroxylamines for the formation of amides† 铜催化醛与 O-苯甲酰基羟胺的光氧化反应生成酰胺†。
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-25 DOI: 10.1039/D4NJ02779E
Anh Thu Nguyen, Truong Giang Luu and Hee-Kwon Kim
{"title":"Copper-catalyzed photoredox reaction of aldehydes with O-benzoyl hydroxylamines for the formation of amides†","authors":"Anh Thu Nguyen, Truong Giang Luu and Hee-Kwon Kim","doi":"10.1039/D4NJ02779E","DOIUrl":"https://doi.org/10.1039/D4NJ02779E","url":null,"abstract":"<p >Amides are one of the most important functional groups since they are the backbones of essential biomolecules such as peptides, proteins, and nucleic acids and are also found in pharmaceuticals, polymers, and bioactive compounds. In this study, we developed a novel visible-light-induced oxidative amidation of aldehydes catalyzed by copper(<small>II</small>) bromide. In particular, reactions of aldehydes with <em>O</em>-benzoyl hydroxylamines were conducted in the presence of TBHP as an oxidant and CuBr<small><sub>2</sub></small> as a catalyst at room temperature under the irradiation of visible light. Using the process, a wide scope of amides was successfully prepared in high yields, indicating a promising approach to synthesize amides under mild conditions.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis of sulfated lactosyl glycosides for evaluation in vaccine adjuvant formulations† 硫酸化乳糖苷的合成,用于疫苗佐剂配方的评估†。
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-25 DOI: 10.1039/D4NJ03019B
Tarasha Sharma, Sophie Régnier, Lise Deschatelets, Felicity C. Stark, Vinicio Vasquez, Camilo F. Martinez-Farina, Renu Dudani, Blair A. Harrison, Bassel Akache, Yimei Jia, Michael J. McCluskie and Usha D. Hemraz
{"title":"Synthesis of sulfated lactosyl glycosides for evaluation in vaccine adjuvant formulations†","authors":"Tarasha Sharma, Sophie Régnier, Lise Deschatelets, Felicity C. Stark, Vinicio Vasquez, Camilo F. Martinez-Farina, Renu Dudani, Blair A. Harrison, Bassel Akache, Yimei Jia, Michael J. McCluskie and Usha D. Hemraz","doi":"10.1039/D4NJ03019B","DOIUrl":"https://doi.org/10.1039/D4NJ03019B","url":null,"abstract":"<p >Adjuvants are essential components of vaccines as they enable protection against multiple pathogens by enhancing the duration, magnitude and or quality of immune responses. SLA Archaeosomes, a type of liposome composed of sulfated lactosyl archaeol (SLA) glycolipids, are highly stable vaccine adjuvants that have been shown to induce strong immune responses in preclinical models of infectious disease and cancer. To better understand the mechanism of activity behind SLA archaeosomes strong immunogenic properties, we studied the effect of structural change on vaccine adjuvanticity. Herein, we report the synthesis of three new sulfated lactosyl glycosides (SLGs) by replacing the archaeol moiety with various side-chains. These derivatives were characterized using nuclear magnetic resonance, mass spectrometry, and thin layer chromatography for identity and purity assessment. The SLGs were co-assembled in the presence of DMPC and cholesterol to produce lipid vesicles. The abilities of the SLG-based liposomes to act as vaccine adjuvants were compared to SLA archaeosomes in an <em>in vivo</em> murine vaccine model.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/nj/d4nj03019b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142397557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Activatable anticancer peptides with mutually suppressed bioactivity and their induced cytotoxicity by matrix metalloproteinase-2† 生物活性与基质金属蛋白酶-2†诱导的细胞毒性相互抑制的可激活抗癌肽
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-24 DOI: 10.1039/D4NJ03404J
Jeonghun Lee, Ha Gyeong Kim and Eun-Taex Oh
{"title":"Activatable anticancer peptides with mutually suppressed bioactivity and their induced cytotoxicity by matrix metalloproteinase-2†","authors":"Jeonghun Lee, Ha Gyeong Kim and Eun-Taex Oh","doi":"10.1039/D4NJ03404J","DOIUrl":"https://doi.org/10.1039/D4NJ03404J","url":null,"abstract":"<p >Using activatable cell penetrating peptides (CPPs) are one of the most important strategies to overcome the low selectivity of CPPs by controlling the activity of positively charged CPPs through conjugation with a negatively charged sequence <em>via</em> an enzyme-mediated cleavable linker. In this study, anionic antimicrobial peptides are utilized as the negatively charged component of these activatable CPPs to gain an additional bioactive function such as selective anticancer therapy after activation by enzymatic cleavage. Without an enzyme, the bioactivities of both anionic and cationic components are mutually suppressed by electrostatic interaction within the intact peptide structure. After enzymatic cleavage, the electrostatic interactions between the negative and positive peptide fragments are disrupted, restoring the individual peptide bioactivities and leading to synergistic anticancer therapeutic efficacy.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical exploration of the 4π-photocyclization mechanism of α-tropone derivatives† α-托品衍生物的 4π-photocyclization 机制的理论探索†。
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-24 DOI: 10.1039/D4NJ03442B
Cristian Guerra, Yeray A. Rodríguez-Núñez, Manuel E. Taborda-Martínez, Mitchell Bacho, Rafael Miranda-Pastrana and Adolfo E. Ensuncho
{"title":"Theoretical exploration of the 4π-photocyclization mechanism of α-tropone derivatives†","authors":"Cristian Guerra, Yeray A. Rodríguez-Núñez, Manuel E. Taborda-Martínez, Mitchell Bacho, Rafael Miranda-Pastrana and Adolfo E. Ensuncho","doi":"10.1039/D4NJ03442B","DOIUrl":"https://doi.org/10.1039/D4NJ03442B","url":null,"abstract":"<p >In this study, we employed <em>ab initio</em> methods to investigate the 4π-photocyclization process of substituted α-tropones. Our findings suggest that the initial stages of this reaction occur from low-energy excited states such as S<small><sub>2</sub></small> and S<small><sub>3</sub></small>, as the barriers in higher-energy excited states are prohibitively high. Additionally, we observed that the presence of acid catalysts or substitution of tropones with electron-donating groups reduces the energy barriers. Regarding the formation of bicyclo[3.2.0]hepta-3,6-dien-2-one derivatives, both T<small><sub>1</sub></small>/S<small><sub>0</sub></small> and S<small><sub>1</sub></small>/S<small><sub>0</sub></small> crossings were identified as plausible pathways for this deactivation process. Specifically, electron-donating groups on the tropones promote degeneracy between S<small><sub>1</sub></small> and S<small><sub>0</sub></small> states during the return to the ground state. Moreover, T<small><sub>1</sub></small>/S<small><sub>0</sub></small> crossing systems were consistently observed across all investigated scenarios.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CeO2/conjugated polymer heterostructures for dual-modal phototherapy with antibacterial applications 用于抗菌双模式光疗的 CeO2/共轭聚合物异质结构
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-24 DOI: 10.1039/D4NJ02999B
Wanli Guo, Xiaojie Sun, Yanbin Meng, Peiyi Bai, Zhihui Guo, Xiaorui Tian and Peng Duan
{"title":"CeO2/conjugated polymer heterostructures for dual-modal phototherapy with antibacterial applications","authors":"Wanli Guo, Xiaojie Sun, Yanbin Meng, Peiyi Bai, Zhihui Guo, Xiaorui Tian and Peng Duan","doi":"10.1039/D4NJ02999B","DOIUrl":"https://doi.org/10.1039/D4NJ02999B","url":null,"abstract":"<p >This study investigated the synthesis and application of cerium oxide/conjugated polymer (CeO<small><sub>2</sub></small>/CP) heterostructures for dual-modal phototherapy with a focus on antibacterial applications. CeO<small><sub>2</sub></small> nanoparticles were synthesized <em>via</em> a precipitation method and combined with a conjugated polymer, polythiophene, in a 40/60 wt% ratio to form a composite that leveraged the photothermal properties of CeO<small><sub>2</sub></small> and the photodynamic capabilities of the polymer. The composite was analyzed with Transmission Electron Microscopy (TEM), X-ray diffraction (XRD), and UV-visible spectroscopy. Its photothermal efficiency and reactive oxygen species (ROS) generation were assessed under near-infrared (NIR) irradiation. Antibacterial tests against <em>E. coli</em> and MRSA demonstrated significant growth inhibition, particularly under elevated temperatures and repeated NIR irradiation cycles. The findings suggested that the CeO<small><sub>2</sub></small>/CP composite provided enhanced photothermal and photodynamic therapy, showing potential for effective use in medical applications aimed at infection control and enhanced tissue repair.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electrospun nanofibers of 2D Cr2CTx MXene embedded in PVA for efficient electrocatalytic water splitting† 嵌入 PVA 的二维 Cr2CTx MXene 电纺纳米纤维用于高效电催化水分离†。
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-09-23 DOI: 10.1039/D4NJ02938K
Madhushree R., Chaithra K. P., Sunaja Devi K. R. and Vinod T. P.
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