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Effect of catalyst and oxidant concentrations in a TEMPO oxidation system on the production of cellulose nanofibers† TEMPO 氧化系统中催化剂和氧化剂浓度对纤维素纳米纤维生产的影响†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA04948A
Jisoo Park, Danbee Lee, Kyojung Hwang, Jimin Lee, Tai-Ju Lee, Youngsu Kim, Jung Hyeun Kim, Jieun Lee, Won-Jae Youe, Sang-Jin Chun and Jaegyoung Gwon

In traditional TEMPO oxidation systems, the high cost of TEMPO catalysts has been a significant barrier to the industrialization of oxidized CNF. From an economic perspective, presenting the characteristics of various CNFs produced with the oxidation systems with reduced catalyst usage could facilitate the industrial application of CNF across a wide range of fields. In this study, it was demonstrated that reducing the amount of TEMPO catalyst used (from 0.1 to 0.05 mmol g−1) in a conventional oxidation system increased the carboxylate content by approximately 6.3%. Furthermore, the activation of hydroxyl amine TEMPO, which is generated after the oxidation reaction of cellulose, was enhanced by adjusting the dosage of the inexpensive oxidant NaClO, leading to a 20% improvement in carboxylate content. This suggests that controlling the amount of NaClO as an oxidant can be a key parameter in adjusting the dosage of TEMPO to achieve the targeted degree of surface substitution. Results from the dispersion stability, UV-transmittance, and morphological properties of TEMPO-oxidized CNF using microfluidizing treatment showed that high carboxylate content plays a crucial role in producing high-purity CNF suspensions, which are small, uniform, and free from microfibers. Additionally, by varying the number of mechanical treatments applied to the oxidized cellulose, various types of CNF suspensions with different mean widths were obtained. We expect that these findings offer meaningful insights to end-users seeking a breakthrough in the performance limitations of final applications using cellulose nanomaterials.

在传统的 TEMPO 氧化系统中,TEMPO 催化剂的高成本一直是氧化 CNF 产业化的一大障碍。从经济角度来看,介绍使用减少催化剂用量的氧化系统生产的各种 CNF 的特性,可促进 CNF 在广泛领域的工业应用。本研究表明,在传统氧化体系中减少 TEMPO 催化剂用量(从 0.1 mmol g-1 减少到 0.05 mmol g-1)可使羧酸盐含量增加约 6.3%。此外,通过调整廉价氧化剂 NaClO 的用量,纤维素氧化反应后生成的羟胺 TEMPO 的活化也得到了增强,从而使羧酸盐含量提高了 20%。这表明,控制作为氧化剂的 NaClO 的用量可以作为调整 TEMPO 用量的关键参数,从而达到目标的表面取代度。利用微流化处理技术研究 TEMPO 氧化 CNF 的分散稳定性、紫外线透过率和形貌特性的结果表明,高羧酸盐含量在制备高纯度 CNF 悬浮液中起着关键作用,这种悬浮液细小、均匀、无微纤维。此外,通过改变对氧化纤维素进行机械处理的次数,还可获得平均宽度不同的各类 CNF 悬浮液。我们希望这些发现能为最终用户提供有意义的见解,帮助他们突破使用纤维素纳米材料的最终应用的性能限制。
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引用次数: 0
A review on recent progress and techniques used for fabricating superhydrophobic coatings derived from biobased materials 生物基材料超疏水涂层制造的最新进展和技术综述
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA04767B
Mugdha Shigrekar and Vaijayanti Amdoskar

Superhydrophobic coatings with remarkable water repellence have emerged as an increasingly prominent field of research with the growth of the material engineering and coating industries. Superhydrophobic coatings address the requirements of several application areas with characteristics including corrosion resistance, drag reduction, anti-icing, anti-fogging, and self-cleaning properties. Furthermore, the range of applications for superhydrophobic coatings has been substantially broadened by the inclusion of key performance features such as flame retardancy, thermal insulation, resistance to water penetration, UV resistance, transparency, anti-reflection, and many more. Numerous research endeavours have been focused on biomimetic superhydrophobic materials because of their distinct surface wettability. To develop superhydrophobic coatings with a long lifespan, scientists have refined the processes of material preparation and selection. To accomplish water repellency, superhydrophobic coatings are usually fabricated using harmful fluorinated chemicals or synthetic polymers. Utilising materials derived from biomass offers a sustainable alternative that uses renewable resources in order to eliminate the consumption of these hazardous substances. This paper provides an insight of several researches reported on the construction of superhydrophobic coatings using biomass materials such as lignin, cellulose, chitosan and starch along with the techniques used for the constructing superhydrophobic coatings. This study is a useful resource that offers guidance on the selection of various biobased polymers for superhydrophobic coatings tailored to specific applications. The further part of the paper put a light on different application of superhydrophobic coatings employed in various disciplines and the future perspectives of the superhydrophobic coatings.

随着材料工程和涂料工业的发展,具有显著防水性能的超疏水涂层已成为一个日益突出的研究领域。超疏水涂层具有耐腐蚀、减少阻力、防结冰、防雾和自清洁等特性,可满足多个应用领域的要求。此外,由于加入了阻燃、隔热、抗水渗透、抗紫外线、透明、抗反射等关键性能特征,超疏水涂层的应用范围已大大拓宽。许多研究工作都集中在仿生物超疏水材料上,因为它们具有独特的表面润湿性。为了开发出使用寿命长的超疏水涂层,科学家们改进了材料的制备和选择过程。为了达到防水效果,超疏水涂层通常使用有害的含氟化学品或合成聚合物来制造。利用从生物质中提取的材料提供了一种可持续的替代方法,它使用可再生资源,从而避免了这些有害物质的消耗。本文介绍了利用木质素、纤维素、壳聚糖和淀粉等生物质材料构建超疏水涂层的几项研究报告,以及构建超疏水涂层所使用的技术。这项研究是一项有用的资源,它为选择各种生物基聚合物用于针对特定应用的超疏水涂层提供了指导。论文的下一部分介绍了超疏水涂层在各学科中的不同应用以及超疏水涂层的未来前景。
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引用次数: 0
Retraction: Short polyethylene glycol chains densely bound to soft nanotube channels for inhibition of protein aggregation 撤回:与软纳米管通道紧密结合的聚乙二醇短链可抑制蛋白质聚集
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA90125H
N. Kameta, T. Matsuzawa, K. Yaoi and M. Masuda

Retraction of ‘Short polyethylene glycol chains densely bound to soft nanotube channels for inhibition of protein aggregation’ by N. Kameta et al., RSC Adv., 2016, 6, 36744–36750, https://doi.org/10.1039/C6RA06793J.

撤回 N. Kameta 等人的论文 "Short polyethylene glycol chains densely bound to soft nanotube channels for inhibition of protein aggregation",RSC Adv., 2016, 6, 36744-36750, https://doi.org/10.1039/C6RA06793J。
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引用次数: 0
Synthesis and characterization of novel uranyl clusters supported by bis(pyrazolyl) methane ligands: biomimetic catalytic oxidation, BSA protein interaction and cytotoxicity studies† 双(吡唑)甲烷配体支持的新型铀酰簇的合成与表征:仿生催化氧化、BSA 蛋白相互作用和细胞毒性研究†.
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA06347C
Nakul S., Bhagavathish R., Naveen V. Kulkarni, Ajeetkumar Patil, Suresh B. Arakera and Sam John

Two novel uranyl complexes were synthesized using bis-pyrazolyl methane ligands. The complexes were characterized by several spectroscopic techniques, including UV-Vis, IR, NMR, mass spectrometry, fluorescence, electrochemical, and thermogravimetric analysis. The solid-state structure of the complex C1 was determined with the help of single-crystal X-ray diffraction studies. The complexes C1 and C2 efficiently catalyse the oxidation of 3,5-di-tert-butyl catechol and 2-aminophenol in the atmospheric air, imitating the catalytic activity of the catechol oxidase and phenoxazinone synthase enzymes. The kinetic parameters and the catalytic efficiency (Kcat/KM) of the reactions were calculated. Formation of organic free radicals in the catalytic reactions was confirmed by EPR spectroscopy. The interaction of these complexes with the protein, bovine serum albumin, was investigated by using UV-Vis and fluorescence spectral analysis. The cytotoxicity of the complexes against MDAMB-231 and A549 cell lines was investigated, and IC50 values were determined.

利用双吡唑甲烷配体合成了两种新型铀酰配合物。通过多种光谱技术,包括紫外-可见光、红外、核磁共振、质谱、荧光、电化学和热重分析,对这些配合物进行了表征。通过单晶 X 射线衍射研究确定了复合物 C1 的固态结构。配合物 C1 和 C2 能有效催化 3,5- 二叔丁基邻苯二酚和 2- 氨基苯酚在大气中的氧化,模仿了邻苯二酚氧化酶和苯并噁嗪酮合成酶的催化活性。计算了反应的动力学参数和催化效率(Kcat/KM)。催化反应中有机自由基的形成得到了 EPR 光谱的证实。利用紫外可见光谱和荧光光谱分析研究了这些复合物与蛋白质牛血清白蛋白的相互作用。研究了复合物对 MDAMB-231 和 A549 细胞系的细胞毒性,并确定了 IC50 值。
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引用次数: 0
6-Aminocoumarin-derived Schiff base gelators: aggregation and sensing of CN−, Fe3+, Cu2+ and CO2 under different conditions† 6-Aminocoumarin-derived Schiff base gelators:CN-、Fe3+、Cu2+ 和 CO2 在不同条件下的聚集和传感†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA05503A
Eshani Paul, Rameez Raza, Subrata Ranjan Dhara, Nabajyoti Baildya and Kumaresh Ghosh

Herein, we report the synthesis, characterization, supramolecular gelation and multiple applications of 6-aminocoumarin-derived Schiff bases 1 and 2. Both Schiff bases underwent gelation in DMF–H2O (2 : 1, v/v), DMSO–H2O (2 : 1, v/v) and dioxane–H2O (2 : 1, v/v) involving weak forces. Furthermore, the gels were stable and exhibited good viscoelastic properties. The storage modulus (G′) of each gel was considerably higher than its loss modulus (G′′). The higher value of the crossover point and lower value of tan δ for the gel of Schiff base 2 compared to the gel of Schiff base 1 demonstrated the better gelation behaviour of 2 than that of 1 in DMF–H2O (2 : 1, v/v). Further, iodo-analogue 2 exhibited cross-linked helical morphology, whereas non-iodo analogue 1 exhibited long chain fibrous morphology, as observed via FESEM. These differences in morphology and viscoelastic behaviors were attributed to the iodo group present in 2, which influenced its aggregation involving halogen bonding. To demonstrate their application, the DMF–H2O (2 : 1, v/v) gels of both 1 and 2 recognized CN over a series of other anions by exhibiting a gel-to-sol phase change. Besides anion sensing, gels 1 and 2 selectively detected Fe3+ and Cu2+ ions over other metal ions via a gel-to-gel colour change. Finally, CN-treated solutions of 1 and 2 allowed the successful detection of CO2 by the naked eye. Moreover, the detection was possible using a test-kit method.

在此,我们报告了 6-氨基香豆素衍生席夫碱 1 和 2 的合成、表征、超分子凝胶化和多种应用。这两种希夫碱在 DMF-H2O(2:1,v/v)、DMSO-H2O(2:1,v/v)和二噁烷-H2O(2:1,v/v)中都发生了凝胶化,其中涉及弱作用力。此外,凝胶稳定且具有良好的粘弹性。每种凝胶的储存模量(G′)都大大高于其损耗模量(G′′)。与希夫碱 1 凝胶相比,希夫碱 2 凝胶的交叉点值较高,tan δ 值较低,这表明在 DMF-H2O (2:1,v/v)中,希夫碱 2 的凝胶化性能优于希夫碱 1。此外,通过 FESEM 观察,碘类似物 2 呈交联螺旋状形态,而非碘类似物 1 则呈长链纤维状形态。这些形态和粘弹性行为上的差异可归因于 2 中存在的碘基团,它影响了涉及卤素键的聚集。为了证明它们的应用,1 和 2 的 DMF-H2O(2:1,v/v)凝胶通过凝胶到溶胶的相变识别出 CN-,而不是一系列其他阴离子。除了阴离子感应外,凝胶 1 和 2 还能通过凝胶到凝胶的颜色变化,选择性地检测到 Fe3+ 和 Cu2+ 离子,而不是其他金属离子。最后,经 CN 处理过的 1 号和 2 号溶液可通过肉眼成功检测到 CO2。此外,还可以使用测试套件方法进行检测。
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引用次数: 0
Metal–organic framework-derived nanoflower and nanoflake metal oxides as electrocatalysts for methanol oxidation† 金属有机框架衍生的纳米花和纳米片金属氧化物作为甲醇氧化的电催化剂†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA04902K
W. Kamal, Abeer Enaiet Allah, Rehab Mahmoud, Ahmed A. Farghali, Amna A. Kotp and Abdalla Abdelwahab

The energy crisis is the most urgent issue facing contemporary society and needs to be given top priority. As energy consumption rises, environmental pollution is becoming a serious issue. Direct methanol fuel cells (DMFCs) have emerged as the most promising energy source for a variety of applications such as electric vehicles and portable devices. Unfortunately, the kinetics of methanol oxidation is slow and needs an electrocatalyst to improve the reaction kinetics and the overall fuel cell efficiency. Herein, a straightforward hydrothermal procedure was utilized to prepare copper, nickel, and cobalt-based MOF composites by altering the elemental molar ratios. Cu-MOF (MOFP1), Cu/Ni-MOF (MOFP2), and Cu/Ni/Co-MOF (MOFP3) were prepared after carbonization and characterized using several key techniques such as FTIR, XRD, SEM, and EDX. The SEM analysis reveals that the morphology of MOFP1 is spherical aggregated particles, while that of MOFP2 or MOFP3 is in the form of nanoflakes and nanoflowers. Moreover, upon application of these composites as electrocatalysts for methanol electro-oxidation in an alkaline medium of 1 M NaOH using cyclic voltammetry (CV) and chronoamperometry (CA) tests, the electrochemical performance of MOFP2 in 1 M methanol exhibits the best performance for methanol oxidation with a current density reaching 38.77 mA cm−2 at a scan rate of 60 mV s−1. This can be attributed to the unique porous open flower structure and the synergistic effect between copper, nickel, and 2-aminoterephthalic acid which develop its catalytic activity.

能源危机是当代社会面临的最紧迫问题,必须予以高度重视。随着能源消耗的增加,环境污染正成为一个严重的问题。直接甲醇燃料电池(DMFC)已成为电动汽车和便携式设备等各种应用中最有前途的能源。遗憾的是,甲醇氧化的动力学过程比较缓慢,需要一种电催化剂来改善反应动力学和燃料电池的整体效率。在此,通过改变元素摩尔比,利用简单的水热法制备了铜、镍和钴基 MOF 复合材料。碳化后制备出了铜-MOF(MOFP1)、铜/镍-MOF(MOFP2)和铜/镍/钴-MOF(MOFP3),并利用傅立叶变换红外光谱、XRD、扫描电镜和 EDX 等几种关键技术对其进行了表征。扫描电镜分析表明,MOFP1 的形态为球形聚集颗粒,而 MOFP2 或 MOFP3 的形态为纳米片和纳米花。此外,利用循环伏安法(CV)和计时比拟法(CA)测试将这些复合材料作为电催化剂在 1 M NaOH 的碱性介质中进行甲醇电氧化时,MOFP2 在 1 M 甲醇中的电化学性能最佳,在 60 mV s-1 的扫描速率下电流密度达到 38.77 mA cm-2。这归功于其独特的多孔开放花结构以及铜、镍和 2-氨基对苯二甲酸之间的协同效应,从而提高了其催化活性。
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引用次数: 0
Development of a selective COX-2 inhibitor: from synthesis to enhanced efficacy via nano-formulation† 开发一种选择性 COX-2 抑制剂:从合成到通过纳米制剂提高药效†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA06295G
Marwa Elewa, Mohamed Shehda, Pierre A. Hanna, Mohamed M. Said, Sherif Ramadan, Assem Barakat and Yasmine M. Abdel Aziz

Non-steroidal anti-inflammatory drugs NSAIDs are widely used for managing various conditions including pain, inflammation, arthritis and many musculoskeletal disorders. NSAIDs exert their biological effects by inhibiting the cyclooxygenase (COX) enzyme, which has two main isoforms COX-1 and COX-2. The COX-2 isoform is believed to be directly related to inflammation. Based on structure–activity relationship (SAR) studies of known selective COX-2 inhibitors, our aim is to design and synthesize a novel series of 2-benzamido-N-(4-substituted phenyl)thiophene-3-carboxamide derivatives. These derivatives are intended to be selective COX-2 inhibitors through structural modification of diclofenac and celecoxib. The compound 2-benzamido-5-ethyl-N-(4-fluorophenyl)thiophene-3-carboxamide VIIa demonstrated selective COX-2 inhibition with an IC50 value of 0.29 μM and a selectivity index 67.24. This is compared to celecoxib, which has an IC50 value of 0.42 μM and a selectivity index 33.8. Molecular docking studies for compound VIIa displayed high binding affinity toward COX-2. Additionally, the suppression of protein denaturation with respect to albumin was performed as an indicative measure of the potential anti-inflammatory efficacy of the novel compounds. Compound VIIa showed potent anti-inflammatory activity with 93% inhibition and an IC50 value 0.54 μM. In comparison, celecoxib achieved 94% inhibition with an IC50 value 0.89 μM. Although molecule VIIa demonstrated significant in vitro anti-inflammatory activity, adhered to Lipinski's “five rules” (RO5) and exhibited promising drug-like properties, it showed indications of poor in vivo activity. This limitation is likely due to poor aqueous solubility, which impacts its bioavailability. This issue could be addressed by incorporating the drug in niosomal nanocarrier. Niosomes were prepared using the thin-film hydration technique. These niosomes exhibited a particle size of less than 200 nm, high entrapment efficiency, and an appropriate drug loading percentage. Transmission electron microscopy (TEM) and differential scanning calorimetry (DSC) studies revealed that the niosomes were spherical and demonstrated compatibility of all of its components. The drug release study indicated that the pure drug had limited practicality for in vivo use. However, incorporating the drug into niosomes significantly improved its release profile, making it more suitable for practical use.

非甾体抗炎药 非甾体抗炎药被广泛用于治疗各种疾病,包括疼痛、炎症、关节炎和许多肌肉骨骼疾病。非甾体抗炎药通过抑制环氧化酶(COX)发挥其生物效应,环氧化酶有两种主要同工酶 COX-1 和 COX-2。COX-2 同工酶被认为与炎症直接相关。基于对已知选择性 COX-2 抑制剂的结构-活性关系(SAR)研究,我们的目标是设计并合成一系列新型 2-苯甲酰胺基-N-(4-取代苯基)噻吩-3-甲酰胺衍生物。这些衍生物通过对双氯芬酸和塞来昔布进行结构改造,旨在成为选择性 COX-2 抑制剂。化合物 2-苯甲酰胺基-5-乙基-N-(4-氟苯基)噻吩-3-甲酰胺 VIIa 具有选择性 COX-2 抑制作用,IC50 值为 0.29 μM,选择性指数为 67.24。与之相比,塞来昔布的 IC50 值为 0.42 μM,选择性指数为 33.8。化合物 VIIa 的分子对接研究显示其与 COX-2 的结合亲和力很高。此外,作为新型化合物潜在抗炎功效的指示性指标,还对白蛋白的蛋白质变性进行了抑制。化合物 VIIa 显示出强大的抗炎活性,抑制率为 93%,IC50 值为 0.54 μM。相比之下,塞来昔布的抑制率为 94%,IC50 值为 0.89 μM。虽然分子 VIIa 在体外表现出了显著的抗炎活性,符合利平斯基的 "五条规则"(RO5),并表现出很有希望的类药物特性,但它在体内的活性却很差。这种局限性可能是由于水溶性较差,影响了其生物利用度。将药物加入纳米载体中可以解决这一问题。我们采用薄膜水合技术制备了niosomes。这些纳米载体的粒径小于 200 纳米,具有很高的包载效率和适当的药物负载率。透射电子显微镜(TEM)和差示扫描量热法(DSC)研究表明,这些niosomes呈球形,并证明了其所有成分的相容性。药物释放研究表明,纯药物在体内使用的实用性有限。然而,将药物加入到niosomes中后,药物的释放情况得到了明显改善,使其更适合实际使用。
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引用次数: 0
Observation of excellent photocatalytic and antibacterial activity of Ag doped ZnO nanoparticles 观察到掺银氧化锌纳米粒子具有优异的光催化和抗菌活性
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA05197A
Vaishali Amrute, Monika, K. K. Supin, M. Vasundhara and Anupama Chanda

Nanotechnology is the platform with the greatest promise for scientific advancements. One of the advancement is improvement in photocatalytic and antibacterial performance. This work was undertaken to synthesize un-doped and silver (Ag) doped zinc oxide (ZnO) nanoparticles (NPs) using an inexpensive wet chemical method and to investigate the structural and optical properties, photocatalytic and antibacterial activity. The structural analysis from X-ray diffraction (XRD) pattern of un-doped and Ag-doped ZnO NPs displayed hexagonal wurtzite crystal structure and shifting in the peak position confirms the incorporation of Ag in ZnO lattice. Morphological study done by scanning electron microscope reveals spherical shaped NPs and an increase in grain size with Ag doping, the HRTEM images showed the nanocrystalline nature of particle. The Raman spectra showed variation in vibrational characteristics of the nanoparticles with Ag doping. The functional groups were analyzed using Fourier transform-infrared spectroscopy (FTIR). The optical properties were investigated by UV-visible and photoluminescence (PL) spectroscopic techniques. The Ag-doped ZnO NPs have a notably lower band gap than that of un-doped ZnO NPs, i.e. from 3.04 eV to 2.81 eV as studied by UV-visible spectra. The PL study showed decrease in intensity at near band edge emission with increase in Ag doping concentration indicating reduction in the free charge carrier recombination. These variations in the properties play major role in the enhancement of photocatalytic and antibacterial activity with increase in Ag doping concentration as compared to un-doped zinc oxide nanoparticles. The photo degradation efficiency of 99.12 ± 1% against Methylene Blue dye was achieved in the shortest period of 45 minutes ever reported when irradiated under the solar light and efficiency of 97.33 ± 1% was achieved in 15 min under Xenon Short Arc lamp. The antibacterial study was conducted using the Agar well diffusion method where the diameter of the zone of inhibition (ZOI) was increased from 14 mm to 20 mm and 13 mm to 18 mm against the bacteria Escherchia coli and Bacillus subtilis respectively, rendering this material suitable for photocatalytic degradation and antibacterial applications.

纳米技术是最有希望取得科学进步的平台。其中一项进步就是光催化和抗菌性能的改善。本研究采用廉价的湿化学方法合成了未掺杂和掺银(Ag)的氧化锌(ZnO)纳米粒子(NPs),并对其结构和光学特性、光催化和抗菌活性进行了研究。未掺杂和掺杂了银的氧化锌纳米粒子的 X 射线衍射(XRD)图结构分析表明,其晶体结构为六方锆石晶体,峰值位置的移动证实了在氧化锌晶格中掺入了银。通过扫描电子显微镜进行的形态学研究显示,氧化锌纳米粒子呈球形,掺杂银后晶粒尺寸增大,HRTEM 图像显示了粒子的纳米晶体性质。拉曼光谱显示,掺银后纳米粒子的振动特性发生了变化。使用傅立叶变换红外光谱(FTIR)分析了官能团。紫外-可见光和光致发光(PL)光谱技术研究了纳米粒子的光学特性。通过紫外可见光谱研究发现,掺杂了银的氧化锌纳米粒子的带隙明显低于未掺杂的氧化锌纳米粒子,即从 3.04 eV 降至 2.81 eV。聚光研究表明,随着银掺杂浓度的增加,近带边发射的强度降低,这表明自由电荷载流子重组减少。与未掺杂的氧化锌纳米粒子相比,随着掺银浓度的增加,这些特性的变化在提高光催化和抗菌活性方面发挥了重要作用。在太阳光照射下,在最短的 45 分钟内对亚甲蓝染料的光降解效率达到 99.12 ± 1%;在氙短弧灯照射下,在 15 分钟内对亚甲蓝染料的光降解效率达到 97.33 ± 1%。使用琼脂井扩散法进行了抗菌研究,结果表明,该材料对大肠埃希氏菌和枯草杆菌的抑制区(ZOI)直径分别从 14 毫米增至 20 毫米和 13 毫米增至 18 毫米,因此适合光催化降解和抗菌应用。
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引用次数: 0
Antibacterial activity of structurally diverse natural prenylated isobavachalcone derivatives† 结构多样的天然前炔化异巴夏尔酮衍生物的抗菌活性†。
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA05370B
Puneet Kumar, Sapna Saini, Anjali Gangwar, Rashmi Sharma and Jasha Momo H. Anal

Isobavachalcone (IBC) is a natural prenylated flavonoid containing chalcone and prenyl chain moieties with a wide range of biological and pharmacological properties. In this work, we synthesized structurally diversified derivatives (IBC-2 to IBC-10) from the natural prenylated chalcone IBC isolated from Psoralea corylifolia and assessed their antibacterial potency against the Gram-positive and Gram-negative bacterial strains S. aureus ATCC 29213, MRSA ATCC 15187, E. coli ATCC25922 and P. aeruginosa ATCC 27853. IBC and IBC-2 exhibited a minimum inhibition concentration (MIC) of 5.0 μM against S. aureus ATCC 29213, whereas IBC-3 exhibited a broad-spectrum activity against Gram-positive and Gram-negative pathogens. Cytotoxicity assessments on the murine RAW 264.7 macrophage cell line revealed minimal to moderate cytotoxicity for IBC-2 and IBC-3 with a favorable selectivity index (>10). Time- and concentration-dependent studies further supported the bactericidal nature of the compounds, as IBC, IBC-2, and IBC-3 exhibited concentration-dependent killing of S. aureus in a time-dependent manner. Furthermore, combination studies, SEM analysis, and PI staining suggest that IBC-3's mechanism of action targets the bacteria's cytoplasmic membrane or cell wall. The bioactive compounds displayed promising drug-like characteristics and a favorable pharmacokinetic profile (ADME-Tox), indicating a projected high oral bioavailability. Structure–activity relationships (SARs) drawn from this study reveal that a prenyl chain at the A-ring and hydroxy functional groups attached to the aromatic rings of chalcone scaffolds are responsible for this antibacterial potential, which will be helpful in the future discovery and development of antibiotics from natural products to overcome the antibiotic resistance crisis.

异巴夏尔酮(IBC)是一种天然前炔化类黄酮,含有查尔酮和前炔链分子,具有广泛的生物和药理特性。在这项工作中,我们从天然前炔化查尔酮 IBC 中分离合成了结构多样化的衍生物(IBC-2 至 IBC-10),并评估了它们对革兰氏阳性和革兰氏阴性细菌菌株金黄色葡萄球菌 ATCC 29213、MRSA ATCC 15187、大肠杆菌 ATCC25922 和绿脓杆菌 ATCC 27853 的抗菌效力。IBC 和 IBC-2 对金黄色葡萄球菌 ATCC 29213 的最小抑菌浓度 (MIC) 为 5.0 μM,而 IBC-3 对革兰氏阳性和革兰氏阴性病原体具有广谱活性。对小鼠 RAW 264.7 巨噬细胞系进行的细胞毒性评估显示,IBC-2 和 IBC-3 具有最小到中等程度的细胞毒性,并具有良好的选择性指数(>10)。时间和浓度依赖性研究进一步证实了这些化合物的杀菌性质,因为 IBC、IBC-2 和 IBC-3 对金黄色葡萄球菌的杀灭作用表现出时间依赖性,浓度依赖性。此外,组合研究、SEM 分析和 PI 染色表明,IBC-3 的作用机制是针对细菌的细胞质膜或细胞壁。这些具有生物活性的化合物显示出良好的类药物特性和药代动力学特征(ADME-Tox),表明其口服生物利用度很高。这项研究得出的结构-活性关系(SARs)表明,查尔酮支架 A 环上的链烯基和芳香环上的羟基官能团是产生这种抗菌潜力的原因,这将有助于今后从天然产品中发现和开发抗生素,以克服抗生素耐药性危机。
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引用次数: 0
Cu-doped calcium phosphate supraparticles for bone tissue regeneration† 用于骨组织再生的掺铜磷酸钙超微粒†
IF 3.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1039/D4RA04769A
Anika Höppel, Olivia Bahr, Regina Ebert, Annette Wittmer, Michael Seidenstuecker, M. Carolina Lanzino, Uwe Gbureck and Sofia Dembski

Calcium phosphate (CaP) minerals have shown great promise as bone replacement materials due to their similarity to the mineral phase of natural bone. In addition to biocompatibility and osseointegration, the prevention of infection is crucial, especially due to the high concern of antibiotic resistance. In this context, a controlled drug release as well as biodegradation are important features which depend on the porosity of CaP. An increase in porosity can be achieved by using nanoparticles (NPs), which can be processed to supraparticles, combining the properties of nano- and micromaterials. In this study, Cu-doped CaP supraparticles were prepared to improve the bone substitute properties while providing antibacterial effects. In this context, a modified sol–gel process was used for the synthesis of CaP NPs, where a Ca/P molar ratio of 1.10 resulted in the formation of crystalline β-tricalcium phosphate (β-TCP) after calcination at 1000 °C. In the next step, CaP NPs with Cu2+ (0.5–15.0 wt%) were processed into supraparticles by a spray drying method. Cu release experiments of the different Cu-doped CaP supraparticles demonstrated a long-term sustained release over 14 days. The antibacterial properties of the supraparticles were determined against Gram-positive (Bacillus subtilis and Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria, where complete antibacterial inhibition was achieved using a Cu concentration of 5.0 wt%. In addition, cell viability assays of the different CaP supraparticles with human telomerase-immortalized mesenchymal stromal cells (hMSC-TERT) exhibited high biocompatibility with particle concentrations of 0.01 mg mL−1 over 72 hours.

磷酸钙(CaP)矿物质由于与天然骨的矿物质相类似,因此作为骨替代材料大有可为。除了生物相容性和骨结合性之外,预防感染也至关重要,尤其是在抗生素耐药性问题备受关注的情况下。因此,控制药物释放和生物降解是 CaP 的重要特征,而这取决于 CaP 的孔隙率。使用纳米颗粒(NPs)可以增加孔隙率,纳米颗粒可以加工成超颗粒,结合纳米和微米材料的特性。本研究制备了掺铜的 CaP 超微粒,以改善骨替代物的性能,同时提供抗菌效果。在此背景下,采用了改良的溶胶-凝胶工艺合成 CaP NPs,其中 Ca/P 摩尔比为 1.10,在 1000 °C 煅烧后形成结晶的 β-磷酸三钙(β-TCP)。下一步,采用喷雾干燥法将含 Cu2+ (0.5-15.0 wt%)的 CaP NPs 加工成超微粒。不同掺铜 CaP 超微粒的铜释放实验表明,它们能在 14 天内长期持续释放铜。实验还测定了超微粒对革兰氏阳性菌(枯草杆菌和金黄色葡萄球菌)和革兰氏阴性菌(大肠杆菌)的抗菌特性。此外,对不同的 CaP 超微粒与人类端粒酶蜕变间充质基质细胞(hMSC-TERT)进行的细胞存活率测试表明,在微粒浓度为 0.01 mg mL-1 的情况下,72 小时内具有很高的生物相容性。
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