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A fluorescent probe for the detection of Al (III) based on a novel unsymmetrical trisubstituted 1,3,5-triazine 基于新型非对称三取代 1,3,5-三嗪的检测铝 (III) 的荧光探针
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-27 DOI: 10.1016/j.jphotochem.2024.115923

A highly selective and sensitive assay for Al (III) has been reported. A series of unsymmetrical trisubstituted 1,3,5-triazine compounds were synthesized using a one-pot method, in which probe 8-((4,6-diphenyl-1,3,5-triazin-2-yl)oxy)quinoline (2a) utilized for the detection of aluminum ions. The fluorescence characteristics of the 2a probe were then thoroughly studied, including its selectivity towards various metal ions, solvent effects, ion interference testing, response time, maximum detection limit, Job’s curve analysis, and research on the reversibility of EDTA. The linearity of the fluorescence concentration titration was found to be good within the range of 100–300 μM with R2 = 0.981 for Al3+. The minimum detection limit was determined to be 0.29 μM and the response time was only 10 s. These results indicate that probe 2a exhibits a specific response to Al3+ and holds great potential for application in aluminum ion detection.

一种高选择性、高灵敏度的 Al (III) 检测方法已被报道。采用一锅法合成了一系列不对称的三取代 1,3,5 三嗪化合物,其中探针 8-((4,6-二苯基-1,3,5-三嗪-2-基)氧基)喹啉 (2a) 被用于检测铝离子。随后对 2a 探针的荧光特性进行了深入研究,包括其对各种金属离子的选择性、溶剂效应、离子干扰测试、响应时间、最大检测限、约伯曲线分析以及 EDTA 可逆性研究。结果表明,在 100-300 μM 范围内,荧光浓度滴定的线性关系良好,Al3+ 的 R2 = 0.981。这些结果表明探针 2a 对 Al3+ 具有特异性响应,在铝离子检测中具有巨大的应用潜力。
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引用次数: 0
A molecule with aggregation-induced emission for the pH sensing and anti-counterfeiting applications 一种用于 pH 值传感和防伪应用的具有聚集诱导发射的分子
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-26 DOI: 10.1016/j.jphotochem.2024.115919

In this paper, a meaningful pH sensor (E)-4-(4-(1,2,2-triphenylvinyl) styryl)quinoline (TPQ) with aggregation-induced emission (AIE) effect was synthesized based on the conjugated 4-(1,2,2-triphenylvinyl)benzaldehyde and 4-methylquinoline connected by a CC bond. The conjugated quinoline moiety acts as a proton acceptor, and the small variations of pH value in the linear range of 4.01–7.03 and 7.96–9.45 can cause obvious fluorescence fluctuations. The TPQ has good selectivity and reversibility in pH detection, and importantly, it can detect pH fluctuations in real-time in practical applications by fluorescent means. Moreover, TPQ can also be used as a potential viscosity fluorescence sensor for organic solvents. In addition, by combining various color changes of TPQ caused by acid, alkali, water and ammonia stimulation under sunlight and 365 nm ultraviolet light irradiation, it provides a novel concealed optical anti-counterfeiting technique with high security. Therefore, TPQ is a multifunctional molecule with great potential for applications in pH, viscosity sensing and anti-counterfeiting.

本文以4-(1,2,2-三苯基乙烯基)苯甲醛和4-甲基喹啉通过CC键连接为基础,合成了一种有意义的具有聚集诱导发射(AIE)效应的pH传感器(E)-4-(4-(1,2,2-三苯基乙烯基)苯乙烯基)喹啉(TPQ)。共轭喹啉分子作为质子接受体,在 4.01-7.03 和 7.96-9.45 的线性范围内,pH 值的微小变化都会引起明显的荧光波动。TPQ 在 pH 值检测方面具有良好的选择性和可逆性,更重要的是,它可以在实际应用中通过荧光手段实时检测 pH 值的波动。此外,TPQ 还可以作为一种潜在的有机溶剂粘度荧光传感器。此外,结合 TPQ 在阳光和 365 纳米紫外线照射下受酸、碱、水和氨刺激而产生的各种颜色变化,它还提供了一种新型的隐蔽式光学防伪技术,具有很高的安全性。因此,TPQ 是一种多功能分子,在 pH 值、粘度传感和防伪方面具有巨大的应用潜力。
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引用次数: 0
A ratiometric, turn-on fluorosensor for specific detection of Zn2+ ions 用于特异性检测 Zn2+ 离子的比率测量型开启荧光传感器
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-26 DOI: 10.1016/j.jphotochem.2024.115921

A potentially active fluorescent chemosensor (E)-2-(((2-(1H-benzo[d]imidazol-2-yl)phenyl)imino)methyl)-5-(diethylamino)phenol (BMDP) is developed by the condensation of 2-(2-aminophenyl)-1H-benzimidazole and 4-(diethylamino)salicylaldehyde. It shows an exceptional ratiometric fluorescence behavior when exposed to Zn2+ ions and the photoluminescence color is changed from blue to cyan under the exposure of a 365 nm UV light which is also strongly evident from the color chromaticity diagram. The exceptional ratiometric fluorescence behavior in the presence of Zn2+ ions is found to be due to the chelation-enhanced fluorescence (CHEF). The 1:1 stoichiometry of BMDP and Zn2+ ions in Zn2+ ions chelated BMDP complex is confirmed through Job’s plot analysis. Remarkably, Cd2+ does not interfere with the selective ratiometric fluorescence behavior induced by Zn2+ ions. The lowest detection limit and quantification limit are estimated to be 28 nM and 92 nM respectively. The cyan fluorescence of the Zn2+ ions chelated BMDP complex is interestingly reversed to the original BMDP in the presence of ethylenediamine tetraacetic acid (EDTA). At the molecular level, this can be thought of as a complimentary “INHIBIT” logic gate. Furthermore, it is possible to utilize the probe for on-site identification in test strips with improved Zn2+ ions selectivity. We have also used a smartphone-based method to demonstrate the usefulness of BMDP for the immediate quantification and detection of Zn2+ ions. In light of this, probe BMDP is a trustworthy fluorescence probe for on-site monitoring that can accurately identify Zn2+ ions even when some other metals and anions compete.

通过缩合 2-(2-氨基苯基)-1H-苯并咪唑和 4-(二乙氨基)水杨醛,开发出了一种潜在的活性荧光化学传感器 (E)-2-(((2-(1H-苯并[d]咪唑-2-基)苯基)亚氨基)甲基)-5-(二乙氨基)苯酚 (BMDP)。它在 Zn2+ 离子的照射下显示出特殊的比率荧光行为,在 365 纳米紫外线的照射下,光致发光颜色由蓝色变为青色,这一点从颜色色度图中也可以明显看出。在 Zn2+ 离子存在下的特殊比率荧光行为是由于螯合增强荧光(CHEF)造成的。通过约伯图分析,确认了 Zn2+ 离子螯合 BMDP 复合物中 BMDP 和 Zn2+ 离子的化学计量为 1:1。值得注意的是,Cd2+ 不会干扰 Zn2+ 离子诱导的选择性比率荧光行为。最低检测限和定量限估计分别为 28 nM 和 92 nM。有趣的是,在乙二胺四乙酸(EDTA)存在的情况下,Zn2+ 离子螯合的 BMDP 复合物的青色荧光会逆转为原始的 BMDP。在分子水平上,这可以看作是一个互补的 "抑制 "逻辑门。此外,还可以利用该探针在试纸中进行现场识别,提高 Zn2+ 离子的选择性。我们还使用了一种基于智能手机的方法来证明 BMDP 在即时定量和检测 Zn2+ 离子方面的实用性。有鉴于此,探针 BMDP 是一种用于现场监测的值得信赖的荧光探针,即使在其他金属和阴离子竞争的情况下也能准确识别 Zn2+ 离子。
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引用次数: 0
Binary metal–organic framework composites as environmentally friendly photocatalysts: Green synthesis and visible light-assisted pollutant degradation 作为环境友好型光催化剂的二元金属有机框架复合材料:绿色合成与可见光辅助污染物降解
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-26 DOI: 10.1016/j.jphotochem.2024.115916

Green synthesis of MOF-on-MOF is an effective method to prepare the environmentally friendly photocatalyst using metal–organic frameworks (MOFs). Herein, ZIF-8 was synthesized on MIL-100 (Fe) (ZM composites) with different weight percent ratios of ZIF-8 and denoted as ZM21, ZM11 and ZM12. They were investigated as environmentally friendly photocatalysts for the degradation of Methylene Blue (MB) using visible light. XRD, FT-IR, SEM, EDX, and DRS were used to characterize the synthesized materials (ZIF-8, MIL-100, ZM21, ZM11, and ZM12). The ZM11 composite had the highest dye degradation ability. The MB photocatalytic degradation for the ZIF-8, MIL-100, ZM21, ZM11, and ZM12 were 12.59%, 31.27%, 29.45%, 86.3, and 31.51%, respectively. MB degradation by ZM11 composite followed the first-order kinetic model. The effective radical for the MB photocatalytic degradation was the superoxide radical (•O2). The ZM11 composite had the ability of 76% dye removal from water after 3 cycles of MB degradation.

MOF-on-MOF的绿色合成是利用金属有机框架(MOFs)制备环保型光催化剂的有效方法。本文在 MIL-100 (Fe)(ZM 复合材料)上合成了不同重量比的 ZIF-8,并将其分别命名为 ZM21、ZM11 和 ZM12。研究人员将它们作为环境友好型光催化剂,利用可见光降解亚甲基蓝(MB)。XRD、FT-IR、SEM、EDX 和 DRS 被用来表征合成材料(ZIF-8、MIL-100、ZM21、ZM11 和 ZM12)。ZM11 复合材料的染料降解能力最强。ZIF-8、MIL-100、ZM21、ZM11 和 ZM12 对甲基溴的光催化降解率分别为 12.59%、31.27%、29.45%、86.3 和 31.51%。ZM11 复合材料对甲基溴的降解遵循一阶动力学模型。光催化降解甲基溴的有效自由基是超氧自由基(-O2-)。ZM11 复合材料在降解 MB 3 个周期后,对水中染料的去除率达到 76%。
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引用次数: 0
Impact of copper on activity, selectivity, and deactivation in the photocatalytic reduction of CO2 over TiO2 铜对二氧化钛光催化还原 CO2 的活性、选择性和失活的影响
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-25 DOI: 10.1016/j.jphotochem.2024.115914

The photocatalytic reduction of CO2 to hydrocarbons may be a promising mechanistic route to reduce greenhouse gas CO2, convert it into useful products, and limit the direct emission of CO2. The photocatalytic reduction of CO2 is a reaction in which photons activate the photocatalyst by generating reduced and oxidized sites, that are re-oxidized and re-reduced by the reactants. The photocatalytic reduction of CO2 can produce various products, including CO, formic acid, formaldehyde, methanol, methane, etc.

Here, the activity/selectivity of produced hydrocarbons in the presence of oxygen on various photocatalysts (TiO2, 5 wt%Cu-TiO2, 5 wt%Cu-C-TiO2) was determined. The reaction rate increased with increasing reaction time up to the first half an hour of the reaction but then started to decrease with photocatalysts, indicating photocatalyst deactivation, a rate-limiting step by hydroxyl radicals and adsorption of intermediates on TiO2. Carbon deposition as the origin of photocatalyst deactivation was confirmed using the TGA of the spent photocatalyst. Additionally, absorption of intermediates on spent catalysts were confirmed by FTIR. On the other hand, the conversion increased with time when copper was used as a promoter on a TiO2 compared with TiO2 due to its larger surface area and having more active sites.

The photocatalysts were characterized using BET, ICP-OES, XRD, TGA, XPS, Fourier-Transform Infrared Spectroscopy (FTIR), and UV–Vis. The focus of this study was to determine the activity and efficacy of different photocatalysts (TiO2, 5 wt%Cu-TiO2, 5 wt%Cu-C-TiO2) by gas phase measurement, with a particular emphasis on obtaining reproducible data on conversion and selectivity as a function of irradiation time.

The copper on TiO2 was found to be more selective towards sodium formate/formic acid with a maximum selectivity of ∼90 % in 4 h and had higher activity (74.3 µmol gcat-1 h-1). A maximum CO with a selectivity of 86 % was found when TiO2 was used in 4 h.

Copper transfer electrons on the TiO2 surface enhance CO2 adsorption on the catalytic surface and is the reason for having higher valuable product on Cu-C-TiO2 and Cu-TiO2 compared with TiO2. Carbon in this experiment did not have a role and its effect was negligible.

光催化将二氧化碳还原为碳氢化合物可能是减少温室气体二氧化碳、将其转化为有用产品并限制二氧化碳直接排放的一条很有前景的机械途径。光催化还原二氧化碳是一种反应,光子通过产生还原和氧化位点激活光催化剂,这些位点被反应物再氧化和再还原。光催化还原 CO2 可产生多种产物,包括 CO、甲酸、甲醛、甲醇、甲烷等。在此,测定了不同光催化剂(TiO2、5 wt%Cu-TiO2、5 wt%Cu-C-TiO2)在氧气存在下生成碳氢化合物的活性/选择性。在反应开始的半小时内,反应速率随着反应时间的增加而增加,但随后开始随着光催化剂的不同而降低,这表明光催化剂失活、羟基自由基的限速步骤以及中间产物在 TiO2 上的吸附。碳沉积是光催化剂失活的原因,这一点已通过废光催化剂的热重分析得到证实。此外,傅立叶变换红外光谱也证实了废催化剂对中间产物的吸附。另一方面,与 TiO2 相比,在 TiO2 上使用铜作为促进剂时,转化率会随着时间的推移而增加,这是因为铜的表面积更大,具有更多的活性位点。研究人员使用 BET、ICP-OES、XRD、TGA、XPS、傅立叶变换红外光谱 (FTIR) 和紫外可见光对光催化剂进行了表征。本研究的重点是通过气相测量来确定不同光催化剂(TiO2、5 wt%Cu-TiO2、5 wt%Cu-C-TiO2)的活性和功效,特别强调要获得转化率和选择性随辐照时间变化的可重复数据。结果发现,TiO2 上的铜对甲酸钠/甲酸的选择性更高,4 小时内的最大选择性可达 ∼ 90 %,活性也更高(74.3 µmol gcat-1 h-1)。TiO2 表面的铜转移电子增强了催化表面对 CO2 的吸附,这也是 Cu-C-TiO2 和 Cu-TiO2 比 TiO2 产生更多有价值产物的原因。碳在本实验中不起作用,其影响可以忽略不计。
{"title":"Impact of copper on activity, selectivity, and deactivation in the photocatalytic reduction of CO2 over TiO2","authors":"","doi":"10.1016/j.jphotochem.2024.115914","DOIUrl":"10.1016/j.jphotochem.2024.115914","url":null,"abstract":"<div><p>The photocatalytic reduction of CO<sub>2</sub> to hydrocarbons may be a promising mechanistic route to reduce greenhouse gas CO<sub>2</sub>, convert it into useful products, and limit the direct emission of CO<sub>2</sub>. The photocatalytic reduction of CO<sub>2</sub> is a reaction in which photons activate the photocatalyst by generating reduced and oxidized sites, that are re-oxidized and re-reduced by the reactants. The photocatalytic reduction of CO<sub>2</sub> can produce various products, including CO, formic acid, formaldehyde, methanol, methane, etc.</p><p>Here, the activity/selectivity of produced hydrocarbons in the presence of oxygen on various photocatalysts (TiO<sub>2</sub>, 5 wt%Cu-TiO<sub>2</sub>, 5 wt%Cu-C-TiO<sub>2</sub>) was determined.<!--> <!-->The reaction rate increased with increasing reaction time up to the first half an hour of the reaction but then started to decrease with photocatalysts, indicating photocatalyst deactivation, a rate-limiting step by hydroxyl radicals and adsorption of intermediates on TiO<sub>2</sub>. Carbon deposition as the origin of photocatalyst deactivation was confirmed using the TGA of the spent photocatalyst. Additionally, absorption of intermediates on spent catalysts were confirmed by FTIR. On the other hand, the conversion increased with time when copper was used as a promoter on a TiO<sub>2</sub> compared with TiO<sub>2</sub> due to its larger surface area and having more active sites.</p><p>The photocatalysts were characterized using BET, ICP-OES, XRD, TGA, XPS, Fourier-Transform Infrared Spectroscopy (FTIR), and UV–Vis. The focus of this study was to determine the activity and efficacy of different photocatalysts (TiO<sub>2</sub>, 5 wt%Cu-TiO<sub>2</sub>, 5 wt%Cu-C-TiO<sub>2</sub>) by gas phase measurement, with a particular emphasis on obtaining reproducible data on conversion and selectivity as a function of irradiation time.</p><p>The copper on TiO<sub>2</sub> was found to be more selective towards sodium formate/formic acid with a maximum selectivity of ∼90 % in 4 h and had higher activity (74.3 µmol g<sub>cat</sub><sup>-1 h-1</sup>). A maximum CO with a selectivity of 86 % was found when TiO<sub>2</sub> was used in 4 h.</p><p>Copper transfer electrons on the TiO<sub>2</sub> surface enhance CO<sub>2</sub> adsorption on the catalytic surface and is the reason for having higher valuable product on Cu-C-TiO<sub>2</sub> and Cu-TiO<sub>2</sub> compared with TiO<sub>2</sub>. Carbon in this experiment did not have a role and its effect was negligible.</p></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":null,"pages":null},"PeriodicalIF":4.1,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141844354","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
8th International Conference on Semiconductor Photochemistry: Selected contributions 第八届国际半导体光化学会议:部分贡献
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-25 DOI: 10.1016/j.jphotochem.2024.115913
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引用次数: 0
Effect of optical and electronic structure on the photocatalytic activity of Al doped ZnO ALD thin films on glass fibers 光学和电子结构对玻璃纤维上掺铝氧化锌 ALD 薄膜光催化活性的影响
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-25 DOI: 10.1016/j.jphotochem.2024.115915

Photocatalytic water treatment can be promising for eliminating toxic pollutants via a more sustainable approach using renewable sources. However, the technique still requires materials design to optimize/maximize the performance of the photocatalytic materials. Immobilizing the thin film photocatalytic materials onto high surface area textile substrates via atomic layer deposition (ALD) can offer a practical design approach. Al-doped ZnO (AZO) ALD films are deposited onto glass fabric substrates, and their photocatalytic performances were investigated in relation to the FESEM, XRD, XPS, UV–Vis, and PL characterizations. The amount of Al and the post-deposition annealing changed the materials structure, thus the photocatalytic activity of the films. Maximum performance was achieved with the 20 % Al-doped ZnO films after a post-deposition thermal annealing step at 450 °C. The sample also showed the highest UV–Vis absorption and PL emission among the samples. However, this sample didn’t show any crystal peaks in the XRD analysis. Furthermore, the charge carrier concentrations and the mobility of the films were investigated via Hall-Effect, which showed that the 20 % AZO sample has very different features with a p-type nature compared to the other AZO films.

光催化水处理技术可以利用可再生资源,以更可持续的方式消除有毒污染物。然而,该技术仍需要进行材料设计,以优化/最大化光催化材料的性能。通过原子层沉积(ALD)将薄膜光催化材料固定在高比表面积的纺织品基底上,可以提供一种实用的设计方法。我们在玻璃织物基底上沉积了铝掺杂氧化锌(AZO)ALD 薄膜,并通过 FESEM、XRD、XPS、UV-Vis 和 PL 表征研究了这些薄膜的光催化性能。铝的含量和沉积后的退火改变了材料的结构,从而改变了薄膜的光催化活性。掺杂 20% Al 的氧化锌薄膜在 450 °C 的沉积后热退火步骤后达到了最高性能。在所有样品中,该样品的紫外可见吸收率和聚光发射率也最高。然而,该样品在 XRD 分析中没有显示任何晶体峰。此外,还通过霍尔效应研究了薄膜的电荷载流子浓度和迁移率,结果表明与其他 AZO 薄膜相比,20% AZO 样品具有非常不同的 p 型特性。
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引用次数: 0
Enhanced nonlinear optical and optical limiting responses of 7-diethylamino-4-methyl coumarin functionalized with silver nanoparticles: A combined experimental and DFT study 银纳米粒子官能化的 7-二乙氨基-4-甲基香豆素的增强非线性光学响应和光限制响应:实验和 DFT 综合研究
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-23 DOI: 10.1016/j.jphotochem.2024.115910

The present study accounts for the enhanced nonlinear optical and optical limiting activity of 7-diethylamino-4-methyl coumarin (7DMC) after the addition of silver nanoparticles. The theoretical calculations were done in three different solvents water, methanol, and dimethyl formamide (DMF), and on the basis of the energy gap, DMF was selected as the most suitable solvent. Further, the liquid samples were prepared in DMF. The natural bond orbitals show the active participation of the lone pairs of electrons of 2O and 35Ag as donor and acceptor moieties respectively. The values of first-order hyperpolarizability of the 7DMC+Ag3 combination were raised to 2002.71 × 10−30 esu, 778.72 × 10−30 esu, and 677.12 × 10−30 esu in water, methanol, and DMF. The valley-like structure in the Z-Scan spectra indicated the occurrence of reverse saturable absorption in the prepared samples. The optical limiting threshold of the 7DMC+AgNps was decreased from that of the probe 7DMC and AgNps indicating the early attenuation of the optical limiting nature of the combination. Thus, the overall results validated the enhanced optical nonlinearity of the combination. Moreover, it can be stated that the proposed nanoparticles combination 7DMC+AgNps has potential candidature to be used for the fabrication of laser safety devices and eye aids.

本研究说明了 7-二乙氨基-4-甲基香豆素(7DMC)在加入银纳米粒子后非线性光学活性和光学限制活性的增强。理论计算在水、甲醇和二甲基甲酰胺(DMF)三种不同溶剂中进行,并根据能隙选择了 DMF 作为最合适的溶剂。此外,还在 DMF 中制备了液体样品。自然键轨道显示,2O 和 35Ag 的孤对电子分别作为供体和受体分子积极参与。在水、甲醇和 DMF 中,7DMC+Ag3 组合的一阶超极化率分别升至 2002.71 × 10-30 esu、778.72 × 10-30 esu 和 677.12 × 10-30 esu。Z-Scan 光谱中的谷状结构表明制备的样品中存在反向可饱和吸收。与探针 7DMC 和 AgNps 相比,7DMC+AgNps 的光极限阈值有所降低,这表明该组合的光极限特性提前衰减。因此,总体结果验证了组合的光学非线性增强。此外,可以说所提出的纳米粒子组合 7DMC+AgNps 有可能被用于制造激光安全装置和助视器。
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引用次数: 0
4′–phenyl −2, 2′: 6′, 2′’-terpyridine derivatives as metal chemosensors. Chelation and fluorescence capabilities towards Zn(II), Cd(II), and Hg(II) from experiment and theory 4′-phenyl -2, 2′: 6′, 2′'-terpyridine 衍生物作为金属化学传感器。从实验和理论看锌(II)、镉(II)和汞(II)的螯合和荧光能力
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-23 DOI: 10.1016/j.jphotochem.2024.115885

4′-phenylterpyridine (TPY) involves four conjugated rings, leading to a multi-resonant chromophore with exceptional luminescent features. Further functionalization of the 4′-phenyl moiety enables a versatile set of chemosensors. In the series, the optical transitions remain similar, where λmax ranges from 253 to 269 nm, with emissions from 357 to 365 nm. Calculations of the natural transition orbitals NTOs deliver the localized hole-electron densities, indicating that the electronic transitions vary as a local-excitation (LE), charge transfer (CT), and mixed LE-CT along with the set. We employ the energy decomposition analysis to evaluate the possible coordination toward Zn(II), Cd(II), and Hg(II) cations, showing a favorable formation of complexes, where the interaction nature exhibits a ∼ 49 and ∼ 50 % electrostatic and orbital character for the Zn(II), Cd(II) and Hg(II) centers. Furthermore, the density deformation channels confer an explicit picture of the bonding scheme, denoting π- and σ-bonding contributions.

4′-phenylterpyridine (TPY) 包含四个共轭环,是一种具有特殊发光特性的多共振发色团。进一步对 4′-苯基分子进行官能化处理后,就能产生一系列用途广泛的化学传感器。在该系列中,光学转变仍然相似,λmax 范围为 253 至 269 nm,发射波长为 357 至 365 nm。对自然过渡轨道 NTO 的计算得出了局部空穴-电子密度,表明电子跃迁随着局部激发 (LE)、电荷转移 (CT) 和混合 LE-CT 的集合而变化。我们利用能量分解分析来评估 Zn(II)、Cd(II) 和 Hg(II) 阳离子的可能配位,结果显示形成的配合物是有利的,其中 Zn(II)、Cd(II) 和 Hg(II) 中心的相互作用性质表现出 ∼ 49% 和 ∼ 50% 的静电和轨道特性。此外,密度形变通道提供了成键方案的清晰图景,表示π键和σ键的贡献。
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引用次数: 0
Quaternary Cu2ZnSnS4 and Cu2ZnSnS4-WS2 composite for enhanced antioxidant, antibacterial, and photocatalyst for degradation of sulfamethoxazole 用于增强抗氧化、抗菌和光催化剂的 Cu2ZnSnS4 和 Cu2ZnSnS4-WS2 季化合物,以降解磺胺甲噁唑
IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-23 DOI: 10.1016/j.jphotochem.2024.115907

Antibiotic contamination possesses several adverse effects including antibiotic resistance, ecological impact, and human health concern etc. Hence there is need to find ways in mitigation of this environmental issue. In this study, Cu2ZnSnS4 (CZTS) nanoparticles (NPs) and CZTS-WS2 composite were synthesized and explored its photocatalytic efficiency in degrading sulfamethoxazole, an antibiotic. In addition, the antioxidant and antibacterial capabilities of CZTS NPs and CZTS-WS2 composites were also investigated. The CZTS NPs and CZTS-WS2 composites were synthesized by a modified hydrothermal method, and the physical properties were explored. The p-type pristine CZTS NPs semiconductor with a direct bandgap (1.49–1.51 eV) is non-toxic and has a remarkable photostability making it extremely valuable in light-harvesting and photocatalyst applications. Quaternary CZTS NPs loaded with 10 % WS2 exhibits good photocatalytic activity for the breakdown of sulfamethoxazole. The Fenton procedure was used to extract sulfamethoxazole from an aqueous solution. When compared to CZTS NPs (0.088 min−1), the apparent rate constant for CZTS-WS2 composite (0.223 min−1) is almost two and a half times higher. Reactive quenching studies showed that OH, O2−, and 1O2 all contributed to SMX deterioration, with 1O2 outperforming O2− and OH. An SMX transformation pathway in the CZTS-WS2 composite process was postulated based on the identified intermediates by LC/MS. Finally, the composite’s reusability and stability were assessed during five separate runs. CZTS-WS2 composite demonstrated more than 80 % radical scavenging efficiency. CZTS NPs and CZTS-WS2 composite also demonstrate antibacterial capabilities against E. coli, S. aureus, M. luteus, and C. albicans. This is the first paper on the photocatalytic study of the degradation of sulfamethoxazole using CZTS NPs and CZTS-WS2 composite as catalysts. The current CZTS-WS2 composite’s outstanding catalytic efficacy in the absence of severe oxidizing/reducing agents and pricey noble metals has been ascribed to its size, surface area, and electronic effect. Hence this work describes a novel approach to developing efficient materials for antioxidant, antibacterial, and photocatalysts for the degradation of sulfamethoxazole.

抗生素污染具有多种不利影响,包括抗生素耐药性、生态影响和人类健康问题等。因此,有必要找到缓解这一环境问题的方法。本研究合成了 Cu2ZnSnS4(CZTS)纳米粒子(NPs)和 CZTS-WS2 复合材料,并探讨了它们在降解抗生素磺胺甲噁唑方面的光催化效率。此外,还研究了 CZTS NPs 和 CZTS-WS2 复合材料的抗氧化和抗菌能力。研究人员采用改良水热法合成了 CZTS NPs 和 CZTS-WS2 复合材料,并对其物理性质进行了探讨。p 型原始 CZTS NPs 半导体具有直接带隙(1.49-1.51 eV),无毒且具有显著的光稳定性,因此在光收集和光催化剂应用中极具价值。负载了 10 % WS2 的季态 CZTS NPs 在分解磺胺甲噁唑方面表现出良好的光催化活性。采用芬顿法从水溶液中萃取磺胺甲噁唑。与 CZTS NPs(0.088 min-1)相比,CZTS-WS2 复合材料的表观速率常数(0.223 min-1)几乎高出两倍半。反应淬灭研究表明,OH、O2-和 1O2 都是 SMX 降解的原因,其中 1O2 的效果优于 O2- 和 OH。根据 LC/MS 确定的中间产物,推测了 CZTS-WS2 复合材料过程中 SMX 的转化途径。最后,在五次单独运行中对复合材料的可重复使用性和稳定性进行了评估。CZTS-WS2 复合材料的自由基清除效率超过 80%。CZTS NPs 和 CZTS-WS2 复合物还对大肠杆菌、金黄色葡萄球菌、黄体霉菌和白僵菌具有抗菌能力。这是第一篇以 CZTS NPs 和 CZTS-WS2 复合材料为催化剂对磺胺甲噁唑进行光催化降解研究的论文。目前的 CZTS-WS2 复合材料在没有严重氧化/还原剂和昂贵贵金属的情况下仍具有出色的催化功效,这归功于其尺寸、表面积和电子效应。因此,这项工作描述了一种开发高效抗氧化、抗菌和光催化剂材料以降解磺胺甲噁唑的新方法。
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Journal of Photochemistry and Photobiology A-chemistry
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