Results in Chemistry最新文献_第6页

Red luminescence CaSiO3:Eu3+ eco-friendly nontoxic phosphor derived from biomass for display and latent finger print applications 从生物质中提取的红色发光 CaSiO3:Eu3+ 环保型无毒荧光粉，可用于显示屏和潜在指纹应用

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101838

M. Krishnam Raju , Pooja Yadav , M. Gangadhar , Sushil Patel , Raj Kumar Samudrala , Anita Kumari , M. Bramanandam , P. Abdul Azeem

Red luminescent Eu³⁺ activated CaSiO₃ phosphor has been prepared by facile green synthesis hydrothermal route using biomass. Future technologies will be required to synthesize on a massive scale using quick, easy, and affordable ways. The current study deals with the preparation of CaSiO₃:Eu³⁺ using egg shell and rice husk ash. The synthesized powders had a single phased monoclinic structure with space group P1 21/C1. It has been found that addition of Eu³⁺ ion dopant causes decrease in the optical energy band gap. The phosphor exhibits the intense peak at 612 nm corresponds to ⁵D₀ → ⁷F₂ of the Eu³⁺ anions upon excitation at 392 nm. The lifetimes ranged from 1.90 to 3.53 ms. With an increase in Eu³⁺ concentration, emission was tuned towards the red area of the CIE diagram. In order to detect hidden fingerprints on flat surfaces using the powder dusting approach, the CaSiO₃:Eu³⁺ effectiveness was also evaluated. The nontoxicity of CaSiO₃:Eu³⁺ was validated by carrying out a cell viability test on MG 63 cell lines. These outcomes demonstrated that the luminescent CaSiO₃:Eu³⁺ can be used as potential material for display, security encoding, and latent fingerprint applications.

利用生物质通过水热法简单绿色合成制备了红色发光的 Eu3+ 活化 CaSiO3 荧光粉。未来的技术需要采用快速、简便、经济的方法进行大规模合成。本研究利用蛋壳和稻壳灰制备了 CaSiO3:Eu3+。合成的粉末具有单相单斜结构，空间群为 P1 21/C1。研究发现，添加 Eu3+ 离子掺杂剂会导致光能带隙减小。在 392 纳米波长的激发下，荧光粉在 612 纳米波长处显示出强烈的峰值，对应于 Eu3+阴离子的 5D0 → 7F2。寿命范围为 1.90 至 3.53 毫秒。随着 Eu3+ 浓度的增加，发射被调整到 CIE 图的红色区域。为了使用粉末除尘方法检测平面上隐藏的指纹，还对 CaSiO3:Eu3+ 的有效性进行了评估。通过对 MG 63 细胞系进行细胞活力测试，验证了 CaSiO3:Eu3+ 的无毒性。这些结果表明，发光 CaSiO3:Eu3+ 可用作显示、安全编码和潜在指纹应用的潜在材料。

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引用次数: 0

Supramolecular hybrid of 4-aminopyridinium Perchlorate: Synthesis, molecular structure characterization, vibrational spectroscopy, thermal analysis, and optical property evaluation 4-aminopyridinium Perchlorate 超分子杂化物：合成、分子结构表征、振动光谱、热分析和光学特性评估

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101825

Oumaima Mastouri, Emna Bouaziz, Mohamed Boujelbene

A hybrid material, 4-aminopyridinium perchlorate salt [C₅H₆N₂][C₅H₇N₂] ClO_4, was synthesized at room temperature by slow evaporation and characterized by single-crystal X-ray, spectroscopic techniques (FT-IR, Raman, and UV–Visible), thermal studies (TGA and DSC). The crystallographic data obtained from single crystal X-ray analysis showed that the compound adopts the monoclinic system, space group P2₁/n, with the following parameters a = 10.8317(8) Å, b = 9.0529(5) Å, c = 13.7032(9) Å, β = 99.243(3) °, Z = 4 and V = 1326.27(15) Å³. The stability of the supramolecular structure was ensured by hydrogen bonding contacts with N-H…O lengths ranging between 2.749 and 2.940 Å. According to the results of Hirshfeld analysis, O…H interactions constitute the main intermolecular interaction contacts (46 %). The thermal decomposition of the precursors, studied by TGA and DSC analysis, indicates that the compound exhibits thermal stability up to 130 °C, beyond which it degrades. Infrared and Raman spectra were recorded at room temperature, confirming the existence of vibrational modes corresponding to organic and inorganic groups. Additionally, the optical properties of the synthesized compound exhibit UV–Visible absorption and interesting photoluminescence properties. The related HOMO-LUMO orbital energies were also highlighted using TDDFT calculations the B3LYP/6-31G (d,p) level of theory.

通过单晶 X 射线、光谱技术（傅立叶变换红外光谱、拉曼光谱和紫外可见光谱）、热研究（TGA 和 DSC），在室温下用缓慢蒸发法合成了一种杂化材料--4-氨基吡啶高氯酸盐 [C5H6N2][C5H7N2] ClO4。单晶 X 射线分析获得的晶体学数据显示，该化合物采用单斜体系，空间群为 P21/n，参数如下：a = 10.8317(8) Å，b = 9.0529(5) Å，c = 13.7032(9) Å，β = 99.243(3) °，Z = 4，V = 1326.27(15) Å3。根据 Hirshfeld 分析结果，O...H 相互作用是分子间相互作用的主要接触（46%）。通过 TGA 和 DSC 分析对前体的热分解进行了研究，结果表明该化合物的热稳定性最高可达 130 °C，超过 130 °C则会降解。室温下记录的红外光谱和拉曼光谱证实了有机和无机基团振动模式的存在。此外，合成化合物的光学特性还表现出紫外-可见吸收和有趣的光致发光特性。利用 B3LYP/6-31G (d,p) 理论水平的 TDDFT 计算还突出了相关的 HOMO-LUMO 轨道能量。

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引用次数: 0

Synthesis of novel skipped diene-3-halocoumarin conjugates as potent anticancer and antibacterial biocompatible agents 合成新型跳过二烯-3-卤代香豆素共轭物作为强效抗癌和抗菌生物相容性制剂

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101846

Yasser Fakri Mustafa , Duha Adnan Hassan , Ayman Faris Faisal , Marwa Mohammed Alshaher

Cancer and bacterial infections are persistent nightmares for human health, which are now aggravated by the development of new types of cancer and pathogenic bacteria, as well as their resistance to prescribed drugs. To be part of a hopeful awakening, this work aimed to synthesize four novel skipped diene-3-halocoumarin conjugates coded SDC1-SDC4 and explore their biosafe functions as anticancer and antibacterial alternatives. In the first step of their synthesis, mequinol reacts with ethyl-2-haloacetoacetate through a H₂SO₄-catalyzed Pechmann reaction, yielding 3-halo-6-methoxy-4-methylcoumarins. The in situ-generated Vilsmeier-Haack reagent formylated these trifunctionalized coumarins to create their 7-carbaldehyde congeners. Finally, the target conjugates were prepared by condensing the latter compounds with 2,4-pentadione through the modified Claisen-Schmidt reaction. The molecular structures involving their stereochemistry were established for SDC1-SDC4 by analyzing their spectra released from FTIR, ¹H NMR, ¹³C NMR, and HRMS. On the other hand, the anticancer and cytotoxicity of these conjugates were investigated against eight cancer and three healthy cell lines, respectively, using an MTT-probing technique. Four pathogenic and three commensal aerobes were the microbes utilized to evaluate the antibacterial and microbiota compatibility, respectively, employing a broth microdilution methodology. The results indicated that the conjugate with the highest anticancer attribute and lowest cytotoxicity was SDC1, while SDC2 demonstrated the greatest antibacterial attribute with minimal microbiota toxicity. These findings projected the influence of a 3-position substitute of the coumarin backbone on the biological activities under research. From these, it is concluded that the chemical structures of SDC1 and SDC2 may represent potent anticancer cytocompatible and antibacterial microbiota-compatible scaffolds, respectively.

癌症和细菌感染是人类健康挥之不去的梦魇，如今，新型癌症和致病细菌的发展以及它们对处方药的抗药性加剧了这一问题。为了成为希望觉醒的一部分，这项研究旨在合成四种新型跳过二烯-3-卤代香豆素共轭物，代号为 SDC1-SDC4，并探索它们作为抗癌和抗菌替代品的生物安全功能。在合成的第一步，甲奎宁醇通过 H2SO4 催化的 Pechmann 反应与 2-卤乙酰乙酸乙酯反应，生成 3-卤-6-甲氧基-4-甲基香豆素。原位生成的 Vilsmeier-Haack 试剂将这些三官能化香豆素甲酰化，生成其 7-甲醛同系物。最后，通过改良的克莱森-施密特反应，将后者与 2,4-戊二酮缩合，制备出目标共轭物。通过分析傅立叶变换红外光谱（FTIR）、1H NMR、13C NMR 和 HRMS 谱图，确定了 SDC1-SDC4 的立体化学分子结构。另一方面，利用 MTT 检测技术研究了这些共轭物对 8 种癌症细胞株和 3 种健康细胞株的抗癌作用和细胞毒性。采用肉汤微稀释法，分别用四种病原菌和三种共生需氧菌来评估抗菌性和微生物群相容性。结果表明，抗癌特性最高、细胞毒性最低的共轭物是 SDC1，而 SDC2 的抗菌特性最强，微生物群毒性最小。这些发现说明了香豆素骨架的 3 位替代物对所研究生物活性的影响。由此得出结论，SDC1 和 SDC2 的化学结构可能分别代表了有效的抗癌细胞相容性支架和抗菌微生物群相容性支架。

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引用次数: 0

Acidity and stability of Nb(V) active sites doped in SBA-15 and ZrSBA-15: A DFT study SBA-15 和 ZrSBA-15 中掺杂的 Nb(V) 活性位点的酸性和稳定性：DFT 研究

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101814

Gabriel Pereira da Silva , Daví Alexsandro Cardoso Ferreira , Rosenira Serpa da Cruz , Fernando Cesário Rangel

Mesoporous silicas are of great interest in heterogeneous catalysis due to the structural characteristics of their pores and the adjustable catalytic properties that arise from incorporating heteroatoms. The substitution of Zr and Nb into SBA-15 introduces active sites into the material, rendering it a potential catalyst for acid catalysis reactions. However, discussions regarding the acid properties and metal-support interactions in amorphous silicas functionalized with metals are limited in computational chemistry. This study aims to determine the acid strength and charge transfer effects between Zr(IV) and Nb(V) species in mesoporous silica by proposing a representative SBA-15 cluster of type 5–6. Density Functional Theory (DFT) simulations were conducted using the B3LYP/6-31G(d,p)/def2TZVP levels. The model successfully replicated trends from larger clusters, demonstrating that the more grafted onto the silica structure (i.e. have more Si-O-M bonds), the greater the acid strength of the active site. Additionally, it was found that ZrSBA-15 structures are more stable than NbSBA-15 and possess higher acid strength, a trend supported by experimental observations. The results also suggest that Nb(V) species are more effectively stabilized in ZrSBA-15 than SBA-15, likely due to the presence of Zr(IV) centers in ZrSBA-15. This research contribute to a better understanding of how the support affects the stabilization of active phases, paving the way for the rational design of silica-based heterogeneous catalysts.

介孔硅因其孔隙的结构特征以及加入杂原子后产生的可调催化特性而在异相催化领域备受关注。将 Zr 和 Nb 取代到 SBA-15 中可在材料中引入活性位点，使其成为酸催化反应的潜在催化剂。然而，有关金属功能化无定形二氧化硅的酸特性和金属-支撑相互作用的讨论在计算化学中非常有限。本研究旨在通过提出具有代表性的 5-6 型 SBA-15 簇来确定介孔二氧化硅中 Zr(IV) 和 Nb(V) 物种的酸强度和电荷转移效应。采用 B3LYP/6-31G(d,p)/def2TZVP 水平进行了密度泛函理论（DFT）模拟。该模型成功地复制了较大簇的趋势，表明接枝到二氧化硅结构上的次数越多（即 Si-O-M 键越多），活性位点的酸强度就越大。此外，研究还发现，ZrSBA-15 结构比 NbSBA-15 更稳定，具有更高的酸强度，这一趋势得到了实验观察的支持。研究结果还表明，ZrSBA-15 比 SBA-15 更有效地稳定了 Nb(V) 物种，这可能是由于 ZrSBA-15 中存在 Zr(IV) 中心。这项研究有助于更好地理解支撑物如何影响活性相的稳定，为合理设计硅基异相催化剂铺平了道路。

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引用次数: 0

Tailoring optical and electrical properties of PVP-I2 complexes through gamma irradiation-induced structural defect Engineering for optoelectronic applications 通过伽马辐照诱导的结构缺陷工程定制 PVP-I2 复合物的光学和电学特性，用于光电应用

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101827

A.M. Elbasiony , Mohamed Madani , Mohamed Mohamady Ghobashy , Mohamed Shaban , Sarah Alharthi , Samera Ali Al-Gahtany , Nora Hamad Al-Shaalan , Waleed E. Boraie , Mohamed S. Attia , Sana F. Abaza , Aiyeshah Alhodaib , A.I. Sharshir

This study investigates the complexation of iodine with polyvinylpyrrolidone (PVP) subjected to gamma irradiation at doses of 0, 10, 20, and 30 kGy. The complex formation involves I₂ acting as a Lewis acid with electron-rich PVP as a Lewis base through a charge transfer mechanism. UV–visible spectroscopy revealed a red shift of the absorption peak at 337 nm for irradiated PVP-I2 samples, indicating stronger interactions between the triiodide ion (I₃¯) and irradiated PVP. FTIR analysis confirmed the formation of new C≡N moieties arising from PVP-I2 complexation. The FT-Raman analysis revealed a new C≡N peak at 2360 cm⁻¹ in irradiated PVP-I2 samples, with increasing intensity correlating to higher irradiation doses, indicating enhanced electron delocalization due to complex formation. XRD analysis showed that PVP-I2 samples irradiated at 0 and 10 kGy exhibited higher crystallinity than those irradiated at 20 and 30 kGy, suggesting that high-dose irradiation causes PVP radiolysis and ring opening. Dielectric measurements demonstrated enhanced polarizability and ionic conductivity of irradiated PVP-I2 films, related to structural disorder promoting charge dissociation and ion mobility. The direct bandgap decreased from 2.75 eV for unirradiated samples to 2.55 eV for samples irradiated at 30 kGy, indicating the creation of new optically active defect states. Urbach energy increased from 0.85 eV to 1.55 eV with increasing irradiation dose, confirming increased disorder in the PVP structure. These findings reveal that gamma irradiation significantly alters the optical and electrical properties of PVP-I₂ films by creating defects and disrupting structure, offering new insights for tailoring these materials for optoelectronic applications.

本研究探讨了碘与聚乙烯吡咯烷酮（PVP）在 0、10、20 和 30 kGy 剂量伽马辐照下的络合。复合物的形成涉及 I2 作为路易斯酸与富含电子的 PVP 作为路易斯碱通过电荷转移机制的作用。紫外可见光谱显示，辐照过的 PVP-I2 样品在 337 纳米处的吸收峰发生了红移，这表明三碘离子 (I3¯) 与辐照过的 PVP 之间的相互作用更强了。傅立叶变换红外光谱分析证实了 PVP-I2 复合物形成了新的 C≡N 分子。傅立叶变换拉曼分析表明，在辐照过的 PVP-I2 样品中，2360 cm-1 处出现了一个新的 C≡N 峰，强度随着辐照剂量的增加而增加，这表明络合物的形成增强了电子析出。XRD 分析表明，辐照剂量为 0 和 10 kGy 的 PVP-I2 样品比辐照剂量为 20 和 30 kGy 的样品具有更高的结晶度，这表明高剂量辐照会导致 PVP 发生辐射分解并开环。介电测量表明，辐照 PVP-I2 薄膜的极化性和离子导电性增强，这与促进电荷解离和离子迁移的结构紊乱有关。直接带隙从未经辐照样品的 2.75 eV 下降到 30 kGy 辐照样品的 2.55 eV，表明产生了新的光学活性缺陷态。随着辐照剂量的增加，Urbach 能量从 0.85 eV 上升到 1.55 eV，证实了 PVP 结构的无序性增加。这些发现揭示了伽马辐照通过产生缺陷和破坏结构显著改变了 PVP-I2 薄膜的光学和电学特性，为定制这些材料的光电应用提供了新的见解。

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引用次数: 0

Biological, dielectric and nonlinear optical properties of chelated bimetallic 1-D coordination polymer 螯合双金属一维配位聚合物的生物、介电和非线性光学特性

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101816

M.R. Sabitha Mohan , Rani Pavithran , I. Hubert Joe , P. Aswathy

Single crystals of bimetallic 1-D coordination polymer, NiZnEDTA were grown by the single gel diffusion method. The agar-well diffusion technique and MTT assay test were done to examine the antimicrobial and anticancer activity of NiZnEDTA. The test outcomes of the MTT assay give a preliminary indication of the anticancer potential of the sample on MDA-MB-231 cells and its nontoxic nature to normal L929 cells. The third-order nonlinear optical characterization of NiZnEDTA was studied by Z-scan technique.

采用单凝胶扩散法生长了双金属一维配位聚合物 NiZnEDTA 的单晶体。琼脂孔扩散技术和 MTT 试验检验了 NiZnEDTA 的抗菌和抗癌活性。MTT 试验结果初步显示了样品对 MDA-MB-231 细胞的抗癌潜力，以及对正常 L929 细胞的无毒性。通过 Z 扫描技术研究了 NiZnEDTA 的三阶非线性光学特性。

引用次数: 0

Rational design, synthesis and anticancer screening of 1,2,4-oxadiazole incorporated thieno[2,3-d]thiazole-isoxazole-pyridine derivatives 1,2,4-噁二唑与噻吩并[2,3-d]噻唑-异噁唑-吡啶衍生物的合理设计、合成和抗癌筛选

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101823

Rambabu Vasamsetti , Naresh Babu Gatchakayala , P. Vijaya Kumar , Ch. Praveen , S.V.G.V.A Prasad , Bandaru Madhav

We have design and synthesized a new series of 1,2,4-oxadiazole incorporated thieno[2,3-d]thiazole-isoxazole-pyridine analogues (13a-j) and were confirmed by ¹H NMR, ¹³C NMR and mass spectral data. Further, the newly synthesized compounds (13a–j) were evaluated for their preliminary anticancer activity against a panel of four human cancer cell lines such as MCF-7 (breast cancer), A549 (lung cancer), Colo-205 (colon cancer) & A2780 (ovarian cancer) by using of MTT method, the known chemotherapeutic agent as etoposide used as positive control. Most of the tested compounds were displayed good to moderate activities on all cell lines. The IC₅₀ values showed compound ranges from 0.01 ± 0.009 µM to 8.41 ± 5.48 µM. Where positive control showed values range from 3.34 ± 0.152 µM to 0.17 ± 0.034 µM. Among them, compound 13a, 13b, 13c, 13d, 13e and 13f were showed more potent activity than etoposide. Predominantly, the compound 13a showed potent anticancer activity against MCF-7, A549, Colo-205, and A2780 cancer cell lines with IC₅₀ values of 0.02 ± 0.007 µM, 0.01 ± 0.009 µM, 0.13 ± 0.052 µM, and 0.11 ± 0.083 µM.

我们设计并合成了一系列新的 1,2,4-噁二唑并噻吩并[2,3-d]噻唑-异噁唑-吡啶类似物（13a-j），并通过 1H、13C NMR 和质谱数据进行了证实。此外，还采用 MTT 法评估了新合成的化合物（13a-j）对四种人类癌症细胞系（如 MCF-7（乳腺癌）、A549（肺癌）、Colo-205（结肠癌）和amp；A2780（卵巢癌））的初步抗癌活性，并以已知的化疗药物依托泊苷作为阳性对照。大多数受试化合物对所有细胞系都显示出良好至中等程度的活性。化合物的 IC50 值从 0.01 ± 0.009 µM 到 8.41 ± 5.48 µM。阳性对照的 IC50 值为 3.34 ± 0.152 µM 至 0.17 ± 0.034 µM。其中，化合物 13a、13b、13c、13d、13e 和 13f 比依托泊苷显示出更强的活性。主要是化合物 13a 对 MCF-7、A549、Colo-205 和 A2780 癌细胞株显示出了强大的抗癌活性，其 IC50 值分别为 0.02 ± 0.007 µM、0.01 ± 0.009 µM、0.13 ± 0.052 µM 和 0.11 ± 0.083 µM。

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引用次数: 0

The antibacterial and antioxidant activities of combined Equisetum arvense extract with TiO2 nanoparticles in PMAA films 马钱子提取物与二氧化钛纳米颗粒在 PMAA 薄膜中的联合抗菌和抗氧化活性

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101829

Thura Alyasiri , Amir A. Hassan , Hadeel Adil , Raghda Alsayed , Raghda Makia , Husam Salman , Mohammed Kadhom , Emad Yousif

Studies on the antibacterial effects of natural compounds, particularly those derived from medicinal plants, have garnered a lot of attention because of the enhanced resistance of germs to antibiotics. The resistance of bacteria to plant-derived chemicals may develop much slower if not at all, which enhances the potential for future research in this area. This study investigates the antibacterial effect of Equisetum arvense extract combined with TiO₂ nanoparticles and embedded in Polymethacrylic acid films on the growth of Pseudomonas aeruginosa, Escherichia coli, Klebsiella pneumoniae, and Staphylococcus aureus. The prepared material was characterized via X-ray Diffraction, Scanning Electron Microscopy, and Atomic Force Microscopy to understand the physicochemical merits of it, and the antibacterial properties were then examined. The results indicate that Equisetum arvense exhibits antibacterial properties against Escherichia coli, Pseudomonas aeruginosa, and Klebsiella pneumoniae. At modest dosages, this plant may offer a novel treatment option for disorders associated with oxidative stress, apoptosis, or hypertonic conditions.

由于病菌对抗生素的抗药性增强，有关天然化合物（尤其是药用植物中提取的天然化合物）抗菌效果的研究备受关注。细菌对植物萃取化学物质的抗药性可能会发展得更慢，甚至根本不会产生抗药性，这就增强了这一领域未来研究的潜力。本研究探讨了马钱子提取物与 TiO2 纳米粒子结合并嵌入聚甲基丙烯酸薄膜对铜绿假单胞菌、大肠杆菌、肺炎克雷伯菌和金黄色葡萄球菌生长的抗菌效果。通过 X 射线衍射、扫描电子显微镜和原子力显微镜对制备的材料进行了表征，以了解其理化性质，然后对其抗菌性能进行了检测。结果表明，马钱子对大肠杆菌、绿脓杆菌和肺炎克雷伯菌具有抗菌特性。在适量剂量下，这种植物可为与氧化应激、细胞凋亡或高渗条件相关的疾病提供一种新的治疗选择。

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引用次数: 0

Folate-Functionalized Chitosan-PLGA Nanoparticles: A Novel approach for targeted osthole delivery in pancreatic cancer 叶酸功能化壳聚糖-PLGA 纳米粒子：胰腺癌靶向递送叶酸的新方法

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101854

Sara Faraji , Arezoo Vedad , Ehsan Karimi , Ehsan Oskoueian

Efficient drug delivery systems targeting cancer cells are crucial for enhancing cancer therapy. In this study, we developed PLGA nanoparticles coated with folate-conjugated chitosan (osthole-PLGA-NPs/CS-FA) to deliver osthole to cancer cells and investigated its inhibitory and molecular signaling mechanisms in the PANC-1 pancreatic cancer cell line. Field emission scanning electron microscopy (FESEM) revealed that osthole-PLGA-NPs/CS-FA had a spherical structure with a uniform size distribution. Dynamic light scattering (DLS) analysis showed an average size of 171.76 nm, a dispersion index 0.26, and a surface charge of + 33.08 mV, indicating stability and uniform dispersion. Fourier-transform infrared (FTIR) spectrum analysis confirmed the successful incorporation of osthole into the PLGA nanoparticles, with an encapsulation efficiency of 93.12 %. These physicochemical properties suggest efficient cellular uptake and targeted delivery. The antioxidant potential of osthole-PLGA-NPs/CS-FA was evaluated using the ABTS assay, showing concentration-dependent inhibition of free radicals with an IC₅₀ value of 172.95 μg/mL. The anticancer properties were assessed using the MTT assay, demonstrating a significant and concentration-dependent cytotoxic effect on PANC-1 cells (IC₅₀ = 31.2 μg/mL) with minimal impact on normal human foreskin fibroblast (HFF) cells. DAPI staining and flow cytometry analyses confirmed a concentration-dependent increase in apoptosis in PANC-1 cells. The nanoparticles induced upregulation of Bax and downregulation of Bcl2, indicating activation of the intrinsic mitochondrial apoptotic pathway. The anti-angiogenic activity of osthole-PLGA-NPs/CS-FA was evaluated using the chick chorioallantoic membrane (CAM) assay. The results showed significant inhibition of angiogenesis in a concentration-dependent manner, starting at 40 μg/mL and increasing up to 120 μg/mL. In conclusion, osthole-PLGA-NPs/CS-FA nanoparticles exhibit promising potential for targeted pancreatic cancer therapy by enhancing cellular uptake, inducing apoptosis, and inhibiting angiogenesis.

高效的靶向癌细胞给药系统对于提高癌症治疗效果至关重要。在这项研究中，我们开发了包覆叶酸共轭壳聚糖的 PLGA 纳米颗粒（osthole-PLGA-NPs/CS-FA），用于向癌细胞递送 osthole，并研究了其在 PANC-1 胰腺癌细胞系中的抑制和分子信号转导机制。场发射扫描电子显微镜（FESEM）显示，osthole-PLGA-NPs/CS-FA呈球形结构，大小分布均匀。动态光散射（DLS）分析表明，其平均粒度为 171.76 nm，分散指数为 0.26，表面电荷为 + 33.08 mV，表明其稳定性和分散均匀性。傅立叶变换红外光谱（FTIR）分析证实，奥斯特孔成功地融入了聚乳酸乙二醛（PLGA）纳米颗粒，封装效率高达 93.12%。这些理化特性表明，奥斯特孔能被细胞高效吸收并进行靶向递送。使用 ABTS 法评估了 osthole-PLGA-NPs/CS-FA 的抗氧化潜力，结果表明其抑制自由基的作用与浓度有关，IC50 值为 172.95 μg/mL。使用 MTT 试验评估了其抗癌特性，结果表明它对 PANC-1 细胞具有显著的浓度依赖性细胞毒性作用（IC50 = 31.2 μg/mL），对正常人包皮成纤维细胞（HFF）的影响极小。DAPI 染色和流式细胞仪分析证实，PANC-1 细胞凋亡的增加与浓度有关。纳米颗粒诱导了 Bax 的上调和 Bcl2 的下调，表明线粒体内在凋亡途径被激活。使用小鸡绒毛膜（CAM）试验评估了 osthole-PLGA-NPs/CS-FA 的抗血管生成活性。结果表明，从 40 μg/mL开始，到 120 μg/mL为止，该物质以浓度依赖的方式明显抑制了血管生成。总之，osthole-PLGA-NPs/CS-FA 纳米粒子通过增强细胞摄取、诱导细胞凋亡和抑制血管生成，在胰腺癌靶向治疗中展现出了巨大的潜力。

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引用次数: 0

In situ-generated mononuclear half-sandwich [(η6‐p‐cymene)RuCl(amide)] complexes as efficient catalysts in the selective oxidation of benzyl alcohol to benzaldehyde 原位生成的单核半夹心[(η6-对-氰基)RuCl(酰胺)]配合物作为苯甲醇选择性氧化成苯甲醛的高效催化剂

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101826

G Veeranna , Venkata Ramana Reddy Chittireddy , Ravinder Vadde

The application of in situ-generated mononuclear Ru(II)-organometallic complexes (1–7) i.e., [(η⁶-p-cymene)RuCl(L)], produced by the interaction of Ru dimer [(p-cymene)RuCl₂]₂ with some polyfunctional amide ligands(L) as highly efficient catalystsin the oxidation of various benzyl alcohols (B-OLs) by tert-butyl hydroperoxide (TBHP) oxidant to produce selectively the benzaldehydes (B-ALs) in high yields in CH₃CN is described. The in situ-generated catalysts were found to be highly active than the [(p-cymene)RuCl₂]₂ precursor (dimer) in the oxidation of B-OL to B-AL. The influence of various reaction parameters such as type of catalyst, reaction temperature, oxidant and solvent during the B-OL oxidation was systematically monitored to optimize the catalytic conditions. In order to confirm the formation of predicted in situ-generated mononuclear Ru(II) complex catalysts during the oxidation of B-OL, one of the Ru(II) complex (1) was synthesized and characterized by Elemental analysis (EA), Infrared (IR), Proton-NMR and Mass spectral techniques and its mono nuclear structure is proposed. Further, it was observed that the activity of in-situ generated and pre-synthesized Ru(II) catalyst was almost same in the oxidation of B-OL to B-AL.

应用原位生成的单核 Ru(II)-organometallic complexes (1-7)，即[(η6-p-cymene)RuCl(L)]、原位生成的单核 Ru(II) 有机金属配合物（1-7），即[(η6-p-cymene)RuCl(L)]，由 Ru 二聚体[(p-cymene)RuCl2]2 与一些多官能团酰胺配体(L) 相互作用生成，可作为高效催化剂，在 CH3CN 中用叔丁基过氧化氢 (TBHP) 氧化剂氧化各种苯甲醇 (B-OL)，从而高产率地选择性地生成苯甲醛 (B-AL)。研究发现，在 B-OL 氧化成 B-AL 的过程中，原位生成的催化剂比[(对-亚甲基)RuCl2]2 前体（二聚体）具有更高的活性。系统地监测了 B-OL 氧化过程中催化剂类型、反应温度、氧化剂和溶剂等各种反应参数的影响，以优化催化条件。为了证实在 B-OL 氧化过程中形成预测的原位生成的单核 Ru(II) 复合物催化剂，合成了其中一种 Ru(II) 复合物 (1)，并通过元素分析 (EA)、红外 (IR)、质子-NMR 和质谱技术对其进行了表征，提出了其单核结构。此外，还观察到在将 B-OL 氧化成 B-AL 的过程中，原位生成的 Ru（II）催化剂和预合成的 Ru（II）催化剂的活性几乎相同。

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