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Novel spectrophotometric method for the determination of paclitaxel through complex formation with osmium. 与锇形成络合物分光光度法测定紫杉醇的新方法。
IF 1.4 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-01 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3763
Basima A A Saleem, Salim A Mohammed, Amer Th Al-Taee

Paclitaxel (Pac) is an important anticancer bioactive compound, and the availability of an accurate and robust analytical method for its quantification is of utmost importance. In this investigation, a novel, direct, and reliable spectrophotometric method has been proposed for the estimation of Pac via a complex formation reaction with osmium (Os). The method was based on the reaction of Pac with Os tetroxide, which produced a yellowish-brown complex. The resulting complex is soluble in water and displays a maximum absorption peak at 482 nm. The reaction conditions, including reactant concentration, pH, temperature, and reaction time, were optimized to obtain the best spectrophotometric response. A thorough method validation study was conducted, demonstrating that the calibration curve is linear over the concentration range of 1.0-55 μg/mL and follows Beer's law, with a molar absorptivity of 3.01 × 10-4 L/mol-1.cm-1. The limit of detection (LOD) and limit of quantitation (LOQ) were 0.0098 and 0.0328 μg/mL, respectively. The recovery values were planned and found to be 98.70%-100.23%. At the same time, the precision values (represented by relative standard deviation percent [RSD%]) were better than 0.81% (in injections) and 1.859% (in biological fluids), depending on the Pac concentration. The suggested method was successfully applied to estimate Pac in a pharmaceutical formulation (as injections) and in spiked biological fluids (serum and urine), with results showing good accuracy and precision compared to the reference method.

紫杉醇(Paclitaxel, Pac)是一种重要的抗癌生物活性化合物,建立一种准确、可靠的定量分析方法至关重要。在这项研究中,提出了一种新的、直接的、可靠的分光光度法,通过与锇(Os)的络合形成反应来估计Pac。该方法是基于Pac与四氧化二氧Os的反应,生成黄褐色配合物。该配合物可溶于水,在482 nm处显示出最大吸收峰。对反应条件(反应物浓度、pH、温度、反应时间)进行优化,以获得最佳的分光光度响应。方法验证研究表明,在1.0 ~ 55 μg/mL范围内,校准曲线呈线性关系,符合比尔定律,摩尔吸光度为3.01 × 10-4 L/mol-1 cm-1。检测限和定量限分别为0.0098和0.0328 μg/mL。规划的恢复值为98.70% ~ 100.23%。同时,不同浓度Pac的精密度值(以相对标准偏差百分比[RSD%]表示)均优于注射剂中的0.81%和生物液中的1.859%。该方法成功地应用于药物制剂(如注射剂)和加标生物液体(血清和尿液)中的Pac的估计,与参考方法相比,结果显示出良好的准确性和精密度。
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引用次数: 0
A new turn off fluorescent NIR probe for hypochlorous acid and its applications. 一种新型次氯酸关闭型近红外荧光探针及其应用。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-29 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3725
Ayten Ibrahimova, Ayşe Nur Önem, Mehmet Altun, Emin Ahmet Yeşil, Aslı Baysal, Hasan Saygin, Ahu Soyocak, Mustafa Özyürek

Hypochlorous acid (HOCl) is a potent nonradical oxidant involved in various physiological processes, particularly within the human immune system. In this study, we introduce a novel, rapid, and highly efficient fluorometric method for the detection of HOCl. The method utilizes a near-infrared (NIR)-based fluorescent probe, NIR-QBH, which is characterized by its high sensitivity and chemical stability. NIR-QBH, containing olefinic C=C bonds, exhibits strong NIR emission at 660 nm (λex = 618 nm). The detection mechanism relies on the oxidation of the C=C bond in the NIR-QBH structure by HOCl, resulting in the formation of non-fluorescent products. With a detection limit of 0.23 μM, the probe demonstrates a fast response time of 4 min. Glutathione (GSH), an essential biothiol, was employed as a reference HOCl scavenger, and its HOCl scavenging activity was evaluated with an IC50 value of 8.97 μM. Furthermore, the developed fluorometric assay was successfully applied for the detection of HOCl in fetal bovine serum (FBS) and aqueous solutions.

次氯酸(HOCl)是一种有效的非自由基氧化剂,参与多种生理过程,特别是在人体免疫系统中。在本研究中,我们介绍了一种新的、快速、高效的HOCl荧光检测方法。该方法采用近红外(NIR)荧光探针NIR- qbh,具有高灵敏度和化学稳定性的特点。含烯烃C=C键的NIR- qbh在660 nm (λex = 618 nm)处表现出较强的近红外发射。检测机制依赖于NIR-QBH结构中的C=C键被HOCl氧化,从而形成非荧光产物。该探针检测限为0.23 μM,响应时间为4 min。以谷胱甘肽(GSH)作为HOCl清除率的参考物,其IC50值为8.97 μM。此外,所建立的荧光测定法成功地应用于胎牛血清(FBS)和水溶液中HOCl的检测。
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引用次数: 0
Pt-enhanced WO3 nanoparticles for efficient hydrogen production: synthesis and electrochemical evaluation. 用于高效制氢的pt增强WO3纳米颗粒:合成和电化学评价。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-18 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3734
Merve Akbayrak

In this study, Pt/WO3 nanoparticles were synthesized using a simple room-temperature impregnation-reduction method and characterized by advanced techniques including ICP, TEM-EDX, FE-SEM-EDX, and XRD. The ICP-OES analysis confirmed a 1.0 wt. % Pt loading on the WO3 support. TEM and FE-SEM analyses revealed that the Pt nanoparticles were well dispersed with an average size of approximately 3.7 nm. The XRD patterns showed characteristic WO3 peaks without any detectable Pt diffraction peaks, indicating the high dispersion of Pt. Electrochemical evaluations demonstrated that the Pt/WO3 catalyst exhibited outstanding hydrogen evolution reaction (HER) performance, with -27.8 mV vs. RHE onset potential and -37.4 mV overpotential at 10 mA.cm-2, outperforming bare WO3. The Tafel slope (b) of 68.6 mV·dec-1 indicates efficient reaction kinetics following the Volmer-Heyrovsky pathway. The impedance analysis confirmed efficient charge transfer, with a b value of 69.7 mV.dec-1. The ECSA was calculated as 8.575 cm2, highlighting the high surface activity of the catalyst. Stability tests showed minor degradation but retained significant catalytic activity. This work emphasizes the potential of Pt/WO3 as an environmentally friendly, cost-efficient catalyst with promising applications in HER, providing a scalable and effective approach to hydrogen production.

本研究采用简单的室温浸渍还原法制备了Pt/WO3纳米颗粒,并采用ICP、TEM-EDX、FE-SEM-EDX和XRD等先进技术对其进行了表征。ICP-OES分析证实WO3支架上的Pt载荷为1.0 wt. %。TEM和FE-SEM分析表明,Pt纳米颗粒分散良好,平均尺寸约为3.7 nm。XRD谱图显示出WO3的特征峰,但未检测到Pt衍射峰,表明Pt具有较高的分散性。电化学评价表明,Pt/WO3催化剂具有出色的析氢反应(HER)性能,在10 mA时具有-27.8 mV vs RHE的起始电位和-37.4 mV的过电位。cm-2,优于裸WO3。Tafel斜率(b)为68.6 mV·dec1,表明反应动力学遵循Volmer-Heyrovsky途径。阻抗分析证实了有效的电荷转移,b值为69.7 mV.dec-1。计算出的ECSA为8.575 cm2,突出了催化剂的高表面活性。稳定性试验表明,降解程度轻微,但仍具有显著的催化活性。这项工作强调了Pt/WO3作为一种环境友好、成本效益高的催化剂的潜力,在HER中具有广阔的应用前景,为制氢提供了一种可扩展和有效的方法。
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引用次数: 0
Removal of heavy metal iron(II) ions from wastewater using an ultrasonic system with climbazole-alcohol. 用克莱巴唑-醇超声系统去除废水中的重金属铁离子。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-12 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3729
Melek Gökmen Karakaya, Bahdişen Gezer, Abdullah Menzek, Özlem Gündoğdu Aytaç

Climbazole (CBZ) is an antifungal active pharmaceutical ingredient often used in antidandruff products. In this study, the ketone group in the racemic CBZ molecule was reduced to synthesize CBZ-alcohol, named 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-ol, and the optimum adsorption conditions were investigated for removing iron(II) (Fe2+) ions from wastewater by adsorption from aqueous solutions using the economical and environmentally friendly ultrasonic method. The parameters and levels used in the study were designed using response surface methodology and model equations were derived to optimize the results. The independent variables selected were the initial pH (1, 3, and 5), adsorption time (30, 45, and 60 min), adsorption temperature (40, 60, and 80 °C), and Fe2+ ions consumption percentage from the wastewater. Experiments were conducted on a real wastewater sample taken from the Uşak Organized Industrial Zone. Conditions that maximize each dependent variable were specified separately and verification experiments were conducted under these conditions. Maximum Fe2+ ion consumption was 91.83%. The R2 value of the model was 0.9598. The findings demonstrate that CBZ-alcohol was effective as an adsorbent in Fe2+ ion removal from aqueous solution.

克里巴唑(CBZ)是一种抗真菌活性药物成分,常用于去屑产品中。本研究将消旋CBZ分子中的酮基还原合成CBZ醇,命名为1-(4-氯苯氧基)-1-(1h -咪唑-1-基)-3,3-二甲基丁醇,并利用经济环保的超声波法吸附水溶液,研究了去除废水中铁(II) (Fe2+)离子的最佳吸附条件。采用响应面法设计了试验参数和水平,并推导了模型方程,对试验结果进行了优化。选取的自变量为初始pH(1、3和5)、吸附时间(30、45和60 min)、吸附温度(40、60和80℃)和废水中Fe2+离子消耗百分比。实验是在u工业区的实际废水样本上进行的。分别规定了各因变量最大化的条件,并在这些条件下进行了验证实验。最大Fe2+离子消耗量为91.83%。模型的R2值为0.9598。结果表明,cbz -醇作为吸附剂,对水中的Fe2+离子有较好的去除效果。
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引用次数: 0
Ecofriendly synthesis and characterization of oxygen-enriched g-C3N4 from diverse precursors for efficient organic dye decontamination. 不同前驱体富氧g-C3N4的生态友好合成和表征,用于有效去除有机染料。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-03-01 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3724
Muchammad Tamyiz

Industrial wastewater from sectors such as textiles, printing, and pharmaceuticals contain harmful pollutants, including nonbiodegradable dyes, which pose significant challenges for environmental safety. Neutral red, a cationic dye commonly found in wastewater, obstructs photosynthesis in aquatic ecosystems and carries potential toxicity. Traditional methods of dye removal often prove ineffective due to the chemical stability of these compounds. In this study, oxygen-doped graphitic carbon nitride (O-doped g-C3N4) was synthesized as an innovative photocatalyst for the degradation of neutral red dye under visible light. The material was synthesized through a sustainable process involving the calcination of urea, dicyandiamide, and oxalic acid, and its characteristics were evaluated using various techniques, including XRD, FT-IR, UV-Vis spectroscopy, and SEM. Photocatalytic degradation of neutral red was analysed using a custom photoreactor under visible light. The results demonstrated that O-doped g-C3N4 exhibited enhanced photocatalytic efficiency compared to pure g-C3N4, reducing the recombination of electron-hole pairs and effectively degrading the dye. Adsorption kinetics followed a pseudo-2nd-order model, while adsorption isotherms suggested that the Langmuir model best described the adsorption process, indicating monolayer adsorption. The maximum adsorption capacity of O-doped g-C3N4 for neutral red was 9.643 mg g-1, surpassing pure g-C3N4. The photocatalytic performance of OCN-UD was assessed under visible light, revealing a significant degradation efficiency of 86% for neutral red after 60 min, compared to 51% for pure g-C3N4. Kinetic studies indicated that the adsorption of neutral red onto OCN-UD primarily followed a pseudo-2nd-order model, demonstrating chemical adsorption processes. The synergistic effects of adsorption and photocatalysis were evident, as the initial adsorption phase concentrated dye molecules near active sites, facilitating efficient photocatalytic degradation through reactive oxygen species generation. This study highlights the potential of O-doped g-C3N4 as an efficient, eco-friendly solution for the treatment of dye-laden wastewater.

纺织、印刷和制药等行业的工业废水中含有有害污染物,包括不可生物降解的染料,这对环境安全构成了重大挑战。中性红是一种常见于废水中的阳离子染料,它会阻碍水生生态系统中的光合作用,并具有潜在的毒性。由于这些化合物的化学稳定性,传统的染料去除方法往往证明是无效的。在本研究中,合成了氧掺杂石墨氮化碳(o掺杂g-C3N4)作为一种在可见光下降解中性红色染料的新型光催化剂。该材料是通过尿素、双氰胺和草酸的持续煅烧合成的,并使用XRD、FT-IR、UV-Vis光谱和SEM等多种技术对其进行了表征。采用自制的光反应器,在可见光下对中性红进行了光催化降解分析。结果表明,与纯g-C3N4相比,o掺杂g-C3N4表现出更高的光催化效率,减少了电子-空穴对的重组,有效地降解了染料。吸附动力学遵循拟二阶模型,而吸附等温线表明Langmuir模型最能描述吸附过程,表明单层吸附。o掺杂g-C3N4对中性红的最大吸附量为9.643 mg g-1,超过了纯g-C3N4。在可见光下对OCN-UD的光催化性能进行了评估,结果显示,60分钟后,OCN-UD对中性红色的降解效率为86%,而纯g-C3N4的降解效率为51%。动力学研究表明,中性红色在OCN-UD上的吸附主要遵循伪二阶模型,表现为化学吸附过程。吸附和光催化的协同作用是明显的,因为初始吸附阶段将染料分子集中在活性位点附近,通过活性氧的产生促进了有效的光催化降解。这项研究强调了o掺杂g-C3N4作为一种高效、环保的染料废水处理解决方案的潜力。
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引用次数: 0
1,3,4-thiadiazole derivatives as PI3Ks inhibitor: design, in silico studies, synthesis, characterization, and antimicrobial evaluation. 作为PI3Ks抑制剂的1,3,4-噻二唑衍生物:设计、硅研究、合成、表征和抗菌评价。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-24 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3732
Dharmvir Singh, Pankaj Kumar, Anoop Kumar, Vivek V Bhosale, Kalicharan Sharma, Deepak Kumar, Ramchander Khatri, Tanuj Hooda, Amit Lather

Since PI3Ks are targeted by a variety of bacterial pathogens, they represent a promising target for host-directed immune therapy and may be beneficial in managing persistent bacterial infections. In the present study, computational studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives for phosphoinositide-3-kinases (PI3Ks) inhibitors were carried out using dock scores, Glide scores, and the MMGBSA dG method, with comparison to standard drugs (ofloxacin and fluconazole). A series of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives (D1-D17) were synthesized and evaluated for their in vitro antimicrobial activity against both gram-positive and gram-negative bacterial strains, as well as fungal strains, using the tube dilution method. The synthesized compounds were characterized based on their physicochemical properties, and spectral data confirmed consistency with the proposed molecular structures. Docking studies, the MMGBSA analyses, and in vitro antimicrobial activity results indicated that compounds D4, D6, D8, and D12 were the most active against different microbial species and also showed favorable docking results in comparison with the PDB ligand and standard antimicrobial drugs (ofloxacin and fluconazole). This study highlights the potential of these compounds for future in vivo antimicrobial and anticancer investigations.

由于pi3k是多种细菌病原体的靶标,因此它们代表了宿主定向免疫治疗的一个有希望的靶标,并且可能对治疗持续性细菌感染有益。在本研究中,采用dock评分、Glide评分和MMGBSA dG方法对5-(吡啶-4-基)-1,3,4-噻二唑-2-胺类磷酸肌醇-3-激酶(PI3Ks)抑制剂进行了计算研究,并与标准药物(氧氟沙星和氟康唑)进行了比较。合成了一系列5-(吡啶-4-酰基)-1,3,4-噻二唑-2-胺衍生物(D1-D17),并用试管稀释法测定了它们对革兰氏阳性和革兰氏阴性菌株以及真菌的体外抑菌活性。根据合成的化合物的物理化学性质对其进行了表征,光谱数据证实了所提出的分子结构的一致性。对接研究、MMGBSA分析和体外抑菌活性结果表明,化合物D4、D6、D8和D12对不同微生物物种的抑菌活性最强,与PDB配体和标准抗菌药物(氧氟沙星和氟康唑)的对接效果也较好。这项研究强调了这些化合物在未来体内抗菌和抗癌研究中的潜力。
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引用次数: 0
WO3/α-Fe2O3/Bi2S3 ternary photoanode for improved oxygen evolution reaction in photoelectrochemical water splitting. WO3/α-Fe2O3/Bi2S3三元光阳极在光电化学水分解中改善析氧反应。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3720
Fatih Tezcan, Abrar Ahmad, Gülfeza Kardaş

This study presents a ternary WO3/α-Fe2O3/Bi2S3 photoanode system suitable for photoelectrochemical water-splitting applications. WO3/α-Fe2O3 heterojunction is obtained using a hydrothermal approach, while Bi2S3 is deposited onto WO3/α-Fe2O3 via the successive ionic layer adsorption and reaction (SILAR) method. The cycle count is adjusted to determine the optimal photocatalytic photoanode. X-ray diffraction analysis confirms different morphologies and phases for the photoelectrodes: WO3 is deposited as plates with monoclinic phases, α-Fe2O3 as nanorods with hexagonal phases, and Bi2S3 in the form of nanoparticles (NPs) with orthorhombic phases. Solar light absorption spectra indicate that ternary WO3/α-Fe2O3/Bi2S3 photoanodes absorb a larger portion of the solar spectrum and display a large red shift in wavelength compared to binary WO3/α-Fe2O3 photoanodes. Chronoamperometric and electrochemical impedance spectroscopy measurements indicate that the as-prepared WO3/α-Fe2O3/Bi2S3 photoanode exhibits notable stability and low charge transfer resistance (Rct) compared to binary electrodes and pristine WO3 plates in faradaic photoelectrochemical conversion for the oxygen evolution reaction and S-2/S2 processes. Linear sweep voltammetry studies show that the WO3/α-Fe2O3/Bi2S3 photoanode, sensitized with 8 SILAR cycles, achieves the maximum photocurrent density of 5.777 mA.cm-2 at 1.0 V vs. RHE under 100 mW cm-2 simulated solar irradiation.

本研究提出了一种适合于光化学水分解应用的WO3/α-Fe2O3/Bi2S3三元光阳极体系。采用水热法得到WO3/α-Fe2O3异质结,采用连续离子层吸附反应(SILAR)法将Bi2S3沉积在WO3/α-Fe2O3表面。循环计数调整,以确定最佳的光催化光阳极。x射线衍射分析证实了光电极的不同形貌和相:WO3以单斜相的片状沉积,α-Fe2O3以六方相的纳米棒沉积,Bi2S3以正交相的纳米粒子(NPs)形式沉积。太阳光吸收光谱表明,与二元WO3/α-Fe2O3光阳极相比,三元WO3/α-Fe2O3/Bi2S3光阳极吸收太阳光谱的比例更大,波长红移较大。计时安培和电化学阻抗谱测量结果表明,与二元电极和原始WO3板相比,制备的WO3/α-Fe2O3/Bi2S3光阳极在发氧反应和S-2/S2过程的法拉第光电转化中具有显著的稳定性和低电荷转移电阻(Rct)。线性扫描伏安研究表明,WO3/α-Fe2O3/Bi2S3光阳极经8个SILAR循环敏化后,最大光电流密度为5.777 mA。cm-2在1.0 V下与RHE在100mw cm-2模拟太阳辐照下的对比。
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引用次数: 0
Investigation of the interaction conditions of As2S5 and CuCl2 compounds in water and ethylene glycol medium. As2S5和CuCl2化合物在水和乙二醇介质中相互作用条件的研究。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-01-21 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3722
Huseyn Imanov, Mahnur Jafarli

The article presents the results of the interaction conditions of CuCl2 and As2S5 in ethylene glycol and aquatic medium. Besides, the results of the obtained samples' physicochemical properties are given by X-ray diffraction (XRD), differential thermogravimetric (DTG), thermogravimetric (TG), elemental, and scanning electron microscope (SEM) methods. It was found that when ethylene glycol and water are used as a solvent and CuCl2 and As2S5 as the initial components, Cu3AsS4 is obtained at a temperature of 323-353 K. According to the results of DTA analysis, it was found that the melting point of obtained samples was 964.4 K contrary to the reactions carried out to obtain Cu3(AsS4)2 compounds both in ethylene glycol and water medium. Elemental analysis of the compounds was carried out, energy-dispersion spectrum, mass, and atomic ratios of copper, arsenic, and sulfur were determined, and the stoichiometric composition of Cu3AsS4 was determined. Furthermore, X-ray analysis of the obtained samples confirmed that peaks on the graphs correspond to the standard intensity maxima of the Cu3AsS4 compound.

本文介绍了CuCl2和As2S5在乙二醇和水生介质中相互作用条件的研究结果。通过x射线衍射(XRD)、差示热重(DTG)、热重(TG)、元素分析和扫描电镜(SEM)等方法对所得样品的理化性质进行了分析。结果发现,以乙二醇和水为溶剂,CuCl2和As2S5为初始组分,在323 ~ 353 K的温度下得到Cu3AsS4。根据DTA分析结果,所得样品的熔点为964.4 K,与在乙二醇和水介质中生成Cu3(AsS4)2化合物的反应相反。对化合物进行了元素分析,测定了铜、砷和硫的能量色散谱、质量和原子比,并测定了Cu3AsS4的化学计量组成。此外,对所得样品的x射线分析证实,图上的峰对应于Cu3AsS4化合物的标准强度最大值。
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引用次数: 0
Synthesis of thiazole-integrated pyrrolotriazinones: evaluations of cytotoxicity and effects on PI3K levels in cancer cells. 噻唑整合吡咯三嗪酮的合成:细胞毒性评价及对癌细胞中PI3K水平的影响。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-01-20 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3723
Eylem Kuzu, Ege Arzuk, Fuat Karakuş, Burak Kuzu, Hasan Genç

The synthesis of novel heterocyclic compounds, particularly those targeting critical signaling pathways in cancer, represents a promising approach to drug development. In this study, we designed and synthesized a series of thiazole-integrated pyrrolotriazinone derivatives, aiming to combine the antiproliferative properties of thiazole with the PI3K inhibitory activity of pyrrolotriazinones. The PI3K pathway, which plays a critical role in regulating cell growth, proliferation, and survival, is frequently dysregulated in cancer, making it an attractive target for therapeutic intervention. The synthesized derivatives were evaluated for their cytotoxic activities against MCF-7, A549, and HepG2 cancer cell lines. Their effect on PI3K protein levels was assessed to evaluate their potential as PI3K inhibitors. Preliminary results indicate that these thiazole-pyrrolotriazinone hybrids exhibit significant cytotoxic effects and may reduce PI3K protein levels in cancer cells. Furthermore, drug-likeness assessments and pre-ADMET evaluations demonstrated that the compounds exhibited promising characteristics, supporting their potential as viable drug candidates. Overall, this study highlights the potential of these novel compounds in cancer therapy and provides valuable insights into the design of small molecules that can target key regulatory pathways involved in cancer progression.

合成新的杂环化合物,特别是那些靶向癌症关键信号通路的杂环化合物,是一种很有前途的药物开发方法。在本研究中,我们设计并合成了一系列噻唑类吡咯三嗪酮衍生物,旨在将噻唑的抗增殖特性与吡咯三嗪酮的PI3K抑制活性结合起来。PI3K通路在调节细胞生长、增殖和存活中起着至关重要的作用,在癌症中经常出现失调,使其成为治疗干预的一个有吸引力的靶点。合成的衍生物对MCF-7、A549和HepG2癌细胞的细胞毒活性进行了评价。评估它们对PI3K蛋白水平的影响,以评估它们作为PI3K抑制剂的潜力。初步结果表明,这些噻唑-吡咯三嗪酮杂交种表现出显著的细胞毒作用,并可能降低癌细胞中PI3K蛋白的水平。此外,药物相似性评估和admet前评估表明,这些化合物表现出有希望的特性,支持它们作为可行的候选药物的潜力。总的来说,这项研究强调了这些新化合物在癌症治疗中的潜力,并为设计靶向癌症进展关键调控途径的小分子提供了有价值的见解。
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引用次数: 0
Pyrene-based hole transport materials for efficient perovskite solar cells. 高效钙钛矿太阳能电池用比利牛斯基空穴传输材料。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-01-04 eCollection Date: 2025-01-01 DOI: 10.55730/1300-0527.3727
Madiha Irfan, Aamer Saeed, Sania Tahir, Muhammad Rehman Yaqoob, Sohaib Ahmed Zia, Muhammad Usama, Junaid Mukhtar, Usama Farrukh, Sara Rehman

In the past few years, perovskite solar cells (PSCs) have gained a lot of attention and become a well-known topic in solar studies due to their lower manufacturing costs and improved efficiencies. Previously utilized hole transport materials (HTMs), such as poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine] and 2,2',7,7'-tetrakis(N,N-di-p-methoxyphenylamine)-9,9'-spirobifluorene, are challenging due to their high price, complicated synthesis, limited carrier mobility, and poor device stability. Developing HTMs for PSCs that are inexpensive and high-performance has gained much interest. Currently, many HTMs of organic molecules are used to improve photovoltaic qualities and reduce synthesis costs. Effectively using HTMs is essential for producing the best photovoltaic efficiency in PSCs because they are essential in extracting and transporting charge carriers. Pyrene-based HTMs have excellent device performance, chemical stability, and photovoltaic qualities compared to the other organic moieties. The significant developments made in pyrene-based HTMs over the past five years are reported herein. This review analyzed the relationship between the molecular structure, hole mobility, highest occupied molecular orbital-lowest unoccupied molecular orbital energy levels, power conversion efficiency (PCE), and energy band gap of pyrene-based HTMs. It was revealed that PSC devices fabricated with pyrene-based HTMs have attained a PCE greater than 22%. It is hoped that this review will encourage more researchers to develop HTMs that have good performance, low cost, and high device stability.

在过去的几年里,钙钛矿太阳能电池(PSCs)由于其较低的制造成本和较高的效率而受到了广泛的关注,成为太阳能研究的一个众所周知的话题。先前使用的空穴传输材料(HTMs),如聚[双(4-苯基)(2,4,6-三甲基苯基)胺]和2,2',7,7'-四(N,N-二对甲氧基苯胺)-9,9'-螺双芴,由于其价格高,合成复杂,载流子迁移率有限,器件稳定性差,具有挑战性。为psc开发廉价且高性能的html已经引起了人们的极大兴趣。目前,许多有机分子的HTMs被用于提高光伏质量和降低合成成本。有效地使用HTMs对于在psc中产生最佳光伏效率至关重要,因为它们是提取和传输载流子的必要条件。与其他有机材料相比,比利牛斯基HTMs具有优异的器件性能、化学稳定性和光伏质量。本文报告了过去五年来在比利牛斯基htm方面取得的重大进展。本文分析了芘基HTMs的分子结构、空孔迁移率、最高已占据分子轨道和最低未占据分子轨道能级、功率转换效率(PCE)和能带隙之间的关系。结果表明,用芘基HTMs制造的PSC器件的PCE大于22%。希望这篇综述能够鼓励更多的研究人员开发出性能好、成本低、设备稳定性高的HTMs。
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引用次数: 0
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Turkish Journal of Chemistry
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