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Bulletin of the Korean Chemical Society最新文献

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Supramolecular chemistry for the incorporation of multi-guest molecules into two-dimensional metal hydroxide hosts 将多客体分子纳入二维金属氢氧化物宿主的超分子化学方法
IF 1.7 4区 化学 Pub Date : 2024-09-02 DOI: 10.1002/bkcs.12895
Taeho Kim, Jin Kuen Park, Jae-Min Oh

The incorporation of functional molecules into the interlayer space of layered double hydroxide (LDH) has been extensively studied for its role in immobilization, stabilization, manipulation of the molecular configuration, and the release from the host. To create dramatically enhanced properties and achieve unexpectedly high performances, it is necessary to incorporate multi-guests as well as control the guest-guest interaction. In the present review, we have summarized the multi-guest incorporation into LDH based on the supramolecular chemistry, which provides insights into non-covalent molecular interaction through host-guest chemistry. Four well-known intercalation methods in LDH, that is, coprecipitation, ion exchange, reconstruction, and exfoliation-reassembly, are generally applied to multi-guest intercalation. Combinative methods, in which two different intercalation approaches are combined, are also summarized. The multi-guest incorporation, despite the difficulty involved in its synthesis design, could provide fine-tuned and enhanced properties that are useful for a variety of applications.

在层状双氢氧化物(LDH)的层间空间中加入功能分子在固定、稳定、操纵分子构型以及从宿主中释放等方面的作用已得到广泛研究。要想显著增强特性并实现意想不到的高性能,就必须结合多种客体并控制客体与客体之间的相互作用。在本综述中,我们总结了基于超分子化学的 LDH 多宾客掺入方法,从而深入了解了通过主宾客化学实现的非共价分子相互作用。LDH 中四种著名的插层方法,即共沉淀法、离子交换法、重构法和剥离-组装法,一般都适用于多宿主插层。此外,还总结了将两种不同的插层方法结合起来的组合方法。尽管多主插层在合成设计上有一定难度,但它可以提供微调和增强的特性,可用于多种应用。
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引用次数: 0
Removal of Acid Orange 7 dye using Makgeolli lees with ultrasonic assistance 在超声波辅助下使用马克果里酒糟去除酸性橙 7 染料
IF 1.7 4区 化学 Pub Date : 2024-08-29 DOI: 10.1002/bkcs.12892
Nguyen Van Kien, Sunghwan Kim, Jae Jeong Ryoo

This study investigated the efficient removal of Acid Orange 7 (AO7) dye in water by using Makgeolli lees, a popular by-product obtained during the production of traditional Makgeolli beverages in Korea. By incorporating ultrasound, the effects of contact time, Makgeolli lees dosage, initial AO7 dye concentration, and initial pH of the dye solution were investigated and comprehensively compared with the same experiment using the stirring method. The results consistently showed ultrasound not only enhances the excellent adsorption ability of Makgeolli lees but also accelerates the process compared to the stirring method. The Langmuir isotherm model best described the adsorption process for both methods, suggesting monolayer adsorption on the surface of Makgeolli lees, with maximum capacities of 25.13 mg/g for ultrasound at 40 kHz and 20.41 mg/g for stirring methods. Furthermore, the study showed that optimal dye removal efficiency can be achieved with ultrasound conditions at 28 kHz frequency, 125 W/L power density, and 100% ultrasound intensity. This research promises that the integration of low-cost biomass coupled with ultrasound could provide a potential solution for dye wastewater treatment.

本研究利用韩国传统麦芽汁饮料生产过程中产生的一种常见副产品--麦芽汁酒糟,研究了如何有效去除水中的酸性橙 7(AO7)染料。通过使用超声波,研究了接触时间、牧草酒糟用量、初始 AO7 染料浓度和染料溶液初始 pH 值的影响,并与使用搅拌法进行的相同实验进行了综合比较。结果一致表明,与搅拌法相比,超声波不仅增强了麦胶酒糟的出色吸附能力,还加快了吸附过程。朗穆尔等温线模型最好地描述了这两种方法的吸附过程,表明在 Makgeolli 酒糟表面存在单层吸附,超声波频率为 40 kHz 时的最大吸附量为 25.13 mg/g,搅拌法为 20.41 mg/g。此外,研究还表明,在频率为 28 kHz、功率密度为 125 W/L、超声强度为 100%的超声条件下,可以达到最佳的染料去除效率。这项研究表明,将低成本生物质与超声波相结合,可为染料废水处理提供一种潜在的解决方案。
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引用次数: 0
Elucidating plasmon damping in silver-coated gold nanorods: Single particle analysis and damping adjustment 阐明银涂层金纳米棒中的等离子体阻尼:单颗粒分析和阻尼调整
IF 1.7 4区 化学 Pub Date : 2024-08-27 DOI: 10.1002/bkcs.12894
Rafifah Hana Raihana Syam, Ji Won Ha

We demonstrate the morphology and spectral properties of silver-coated gold nanorods (AuNRs@Ag), synthesized via seed-mediated growth, using scanning electron microscopy (SEM) and dark-field (DF) spectroscopy. The relationship between surface damping and the thickness of the Ag shell in AuNRs was analyzed at the single-particle level. Additionally, we adjusted the bulk damping and radiation damping of AuNRs to elucidate the contribution of surface damping. SEM images demonstrated an increase in length and width following Ag deposition. Elemental mapping analysis confirmed the Ag deposition on the AuNR surface, with Ag content measured at 26.7% for AuNR@Ag26.7 with a 1-day incubation period and 34.8% for AuNR@Ag34.8 with a 2-day incubation period. DF spectroscopy revealed a notable blue shift and slight broadening in their LSPR spectra. Moreover, surface damping decreased with an increase in Ag content. Consequently, this study advances the understanding of plasmon damping mechanisms in single AuNR@Ag for their potential applications.

我们利用扫描电子显微镜(SEM)和暗视野(DF)光谱法展示了通过种子介导生长法合成的银包金纳米棒(AuNRs@Ag)的形态和光谱特性。我们在单颗粒水平上分析了表面阻尼与 AuNRs 中银壳厚度之间的关系。此外,我们还调整了 AuNRs 的体积阻尼和辐射阻尼,以阐明表面阻尼的贡献。扫描电子显微镜图像显示,银沉积后长度和宽度都有所增加。元素图谱分析证实了 AuNR 表面的银沉积,在培养期为 1 天的 AuNR@Ag26.7 中测得的银含量为 26.7%,在培养期为 2 天的 AuNR@Ag34.8 中测得的银含量为 34.8%。DF 光谱显示,它们的 LSPR 光谱出现了明显的蓝移和轻微的增宽。此外,表面阻尼随着银含量的增加而减小。因此,这项研究加深了人们对单个 AuNR@Ag 中等离子体阻尼机制的理解,有助于其潜在应用。
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引用次数: 0
Synthesis of sildenafil and its derivatives bearing pyrazolo-pyrimidinones scaffold 吡唑嘧啶酮类支架的西地那非及其衍生物的合成
IF 1.7 4区 化学 Pub Date : 2024-08-27 DOI: 10.1002/bkcs.12893
Seung Su Lee, Chang Ho Oh

The pyrazole ring structure is extensively spotted as a pharmacophore and fortify-cation of the modern organic synthesis toolbox, which demands synthetic tactics to generate its derivatives. Especially, pyrazolo-pyrimidinones are crucial part to synthesize phosphodiesterase type 5 (PDE5) such as sildenafil and lodenafil. Herein, we report a simple and efficient route for Sildenafil and derivatives from easily available materials.

吡唑环结构被广泛认为是现代有机合成工具箱中的药效源和强化剂,因此需要采用合成策略来生成其衍生物。尤其是吡唑嘧啶酮类化合物,是合成西地那非和洛地那非等 5 型磷酸二酯酶(PDE5)的关键部分。在此,我们报告了一种利用易得材料合成西地那非及其衍生物的简单而有效的方法。
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引用次数: 0
Cover Picture: Post-synthetic modifications of MOF-74 type frameworks for enhancing CO2 capture and moisture stability (BKCS 8/2024) Jintu Francis Kurisingal, Jong Hyeak Choe, Hyojin Kim, Jeongwon Youn, Gayoung Cheon, Chang Seop Hong 封面图片:对 MOF-74 型框架进行后合成修饰以提高二氧化碳捕集能力和湿度稳定性(BKCS 8/2024 Jintu Francis Kurisingal、Jong Hyeak Choe、Hyojin Kim、Jeongwon Youn、Gayoung Cheon、Chang Seop Hong
IF 1.7 4区 化学 Pub Date : 2024-08-24 DOI: 10.1002/bkcs.12744

The cover image depicts a post-combustion CO2 capture process using a MOF-74 type framework functionalized with diamine groups to enhance the interaction with incoming CO2 molecules. Modified with hydrophobic components, these frameworks are excellent for CO2 capture while maintaining structural integrity even under humid conditions. More details are available in the article by Jintu Francis Kurisingal, Jong Hyeak Choe, Hyojin Kim, Jeongwon Youn, Gayoung Cheon, Chang Seop Hong

封面图片描述的是一种燃烧后二氧化碳捕获工艺,该工艺使用了二胺基团功能化的 MOF-74 型框架,以增强与进入的二氧化碳分子的相互作用。这些框架经过疏水成分修饰,即使在潮湿条件下也能保持结构的完整性,是捕获二氧化碳的绝佳材料。更多详情,请参阅 Jintu Francis Kurisingal、Jong Hyeak Choe、Hyojin Kim、Jeongwon Youn、Gayoung Cheon、Chang Seop Hong 的文章。
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引用次数: 0
Novel low-band gap non-fullerene acceptors based on IDIC core as potential photovoltaic materials 基于 IDIC 内核的新型低带隙非富勒烯受体是潜在的光伏材料
IF 1.7 4区 化学 Pub Date : 2024-08-21 DOI: 10.1002/bkcs.12891
Radhiha Ravindran, Inchan Kim, Yun-Hi Kim, Soon-Ki Kwon

Three novel non-fullerene acceptors (NFAs) (PhBu-IDT-BT-IC, PhBu-IDT-BT-IC4F and PhBu-IDT-BT-IC4Cl) based on 3,8-dioctyl-indaceno[1,2-b:5,6-b’]dithiophene (IDT) core have been designed and synthesized with and without halogen (F and Cl) substitution. The NFAs showed high thermal stability. The ultraviolet–visible absorption studies in solution and thin film for the three acceptors revealed maximum absorption from 687 to 732 nm and 731 to 847 nm, respectively. The onset of absorption in the thin film was found to be extending up to around 960 nm for PhBu-IDT-BT-IC4Cl. The optical band gap ranged from 1.30 to 1.41 eV, which are very low and useful for photovoltaic application. The introduction of halogen appreciably altered the LUMO energy levels, whereas the HOMO energy levels were nearly intact. These small molecule non-fullerene acceptors could be used as potential acceptors in bulk heterojunction organic photovoltaic (BHJ-OPV) applications.

我们设计并合成了三种新型非富勒烯受体(NFAs)(PhBu-IDT-BT-IC、PhBu-IDT-BT-IC4F 和 PhBu-IDT-BT-IC4Cl),它们以 3,8-二辛基-茚并[1,2-b:5,6-b']二噻吩(IDT)为核心,含有或不含卤素(F 和 Cl)。这些 NFAs 具有很高的热稳定性。三种受体在溶液和薄膜中的紫外可见吸收研究显示,最大吸收波长分别为 687 至 732 纳米和 731 至 847 纳米。发现 PhBu-IDT-BT-IC4Cl 在薄膜中的吸收起始波长可达 960 纳米左右。光带隙在 1.30 至 1.41 eV 之间,非常低,可用于光伏应用。卤素的引入明显改变了 LUMO 能级,而 HOMO 能级几乎保持不变。这些小分子非富勒烯受体可用作体异质结有机光伏(BHJ-OPV)应用中的潜在受体。
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引用次数: 0
A time-efficient computational binding affinity estimation protocol with utilization of limited experimental data: A case study for adenosine receptor 利用有限的实验数据估算结合亲和力的高效计算方案:腺苷受体案例研究
IF 1.7 4区 化学 Pub Date : 2024-08-20 DOI: 10.1002/bkcs.12890
Ilkwon Cho, Sunghyun Moon, Kwang-Hwi Cho

Estimating binding affinity is a crucial step in the drug discovery process. In computer-aided drug design, this challenge can be divided into two main tasks: finding the correct binding pose and estimating the binding free energy. In this study, we propose a new binding affinity estimation protocol that utilizes molecular docking with limited experimental data and estimates binding affinity using molecular dynamics simulation. A custom scoring function was employed during docking to identify an improved initial binding pose, and the linear interaction energy method with an optimized coefficient was used for binding affinity estimation. The protocol was validated with an external data set and applied to modafinil and its derivatives to rank their binding affinities to adenosine A2A receptors (ADORA2A) as a case study. This approach could be both time-efficient and valuable for computational drug discovery, particularly when experimental data is limited.

估计结合亲和力是药物发现过程中的一个关键步骤。在计算机辅助药物设计中,这一挑战可分为两大任务:寻找正确的结合姿势和估算结合自由能。在本研究中,我们提出了一种新的结合亲和力估算方案,利用有限的实验数据进行分子对接,并通过分子动力学模拟估算结合亲和力。在对接过程中,我们使用了一个定制的评分函数来确定一个改进的初始结合姿态,并使用带有优化系数的线性相互作用能方法来估算结合亲和力。该方案通过外部数据集进行了验证,并以莫达非尼及其衍生物为例,对其与腺苷A2A受体(ADORA2A)的结合亲和力进行了排序。这种方法既省时省力,又对计算药物发现很有价值,尤其是在实验数据有限的情况下。
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引用次数: 0
Off–On fluorescent benzothiazole-fused coumarin for sensitive detection of nitroreductases and hydrogen sulfide 用于灵敏检测硝基还原酶和硫化氢的离体荧光苯并噻唑融合香豆素
IF 1.7 4区 化学 Pub Date : 2024-08-16 DOI: 10.1002/bkcs.12889
Song Yi Yoo, Na Yoon Kim, Min Hee Lee

Hydrogen sulfide (H2S) and nitroreductases (NTR) are key biological reductants, with H2S acting as a key signaling molecule and NTR reducing nitro groups to amines in cellular metabolism. Visualizing these reducing components, often overexpressed in cancer cells or bacterial environments, is crucial for metabolic understanding. Existing fluorescent probes detect these individually, but simultaneous detection methods are unexplored. We designed probe 1, which shows high fluorescence only when both NTR and H2S are overexpressed. The probe transformed into benzothiazole-fused coumarin by NTR, exhibiting fluorescence, and shows a stronger signal in the presence of both NTR and H2S, making it a potential tool for detecting their simultaneous overexpression.

硫化氢(H2S)和硝基还原酶(NTR)是关键的生物还原剂,其中 H2S 是关键的信号分子,而 NTR 则在细胞代谢过程中将硝基还原成胺。这些还原成分通常在癌细胞或细菌环境中过度表达,可视化它们对于了解新陈代谢至关重要。现有的荧光探针可以单独检测这些成分,但同时检测的方法还没有被探索出来。我们设计了探针 1,它只有在 NTR 和 H2S 同时过表达时才会显示高荧光。该探针通过 NTR 转化为苯并噻唑融合香豆素,显示出荧光,并在 NTR 和 H2S 同时存在时显示出更强的信号,使其成为检测 NTR 和 H2S 同时过表达的潜在工具。
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引用次数: 0
Advancements in non-fullerene acceptors for organic solar cells: Brief review of research trends 用于有机太阳能电池的非富勒烯受体的研究进展:研究趋势简评
IF 1.7 4区 化学 Pub Date : 2024-07-31 DOI: 10.1002/bkcs.12888
Minsoo Lee, Eunhye Hwang, Taehyo Kim, Tae-Hyuk Kwon

In the last few decades, fullerene-based acceptors have been extensively utilized in organic solar cells (OSCs). However, OSCs based on fullerenes suffer from low photocurrent and photovoltage due to their poor light absorption capacity and limited tunability of energy levels, which impedes efficiency improvements. Recently, non-fullerene acceptors (NFAs) have enabled rapid progress in OSCs, owing to their favorable properties such as strong light absorption, facile energy level tuning, and improved charge transport characteristics. These features have led to rapid efficiency enhancements. This review discusses the latest research trends related to NFAs, covering several factors that can be applied in the development of NFAs. Finally, we suggest prospects and challenges for high-performance NFA-based OSCs on the path to commercialization.

在过去几十年中,富勒烯基受体已被广泛应用于有机太阳能电池(OSCs)。然而,由于富勒烯的光吸收能力差和能级可调性有限,基于富勒烯的 OSC 存在光电流和光电压低的问题,这阻碍了效率的提高。最近,非富勒烯受体(NFAs)由于具有强光吸收、能级调节方便和电荷传输特性改善等有利特性,使 OSCs 取得了快速发展。这些特性使得效率迅速提高。本综述讨论了与非离子膜有关的最新研究趋势,涵盖了可用于开发非离子膜的几个因素。最后,我们提出了基于 NFA 的高性能 OSC 在商业化道路上的前景和挑战。
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引用次数: 0
TiO2 for efficient photocatalytic decomposition of acetaldehyde: An investigation of the effects of annealing temperature, humidity, and binder 用于高效光催化分解乙醛的二氧化钛:退火温度、湿度和粘合剂影响的研究
IF 1.7 4区 化学 Pub Date : 2024-07-25 DOI: 10.1002/bkcs.12887
Yong-Sog Kwon, Kyu-Chul Jung, Shufang Zhao, Yujing Ji, Shahid Saqlain, Young Dok Kim

TiO2 photocatalysts were synthesized by simple sol gel method and annealed at 300, 500, and 600°C. Photocatalytic performance of as-prepared TiO2 and annealed TiO2 samples was evaluated for the decomposition of acetaldehyde under UV light irradiation. TiO2 annealed at 500°C (T500) showed the highest acetaldehyde removal performance, which was attributed to combined effects of its crystallinity, defect density, surface area, narrow band gap with the dual phase of TiO2, and lifetimes of charge carriers. In humid conditions, overall acetaldehyde removal performance of T500 slightly decreased, but the extent of total oxidation of acetaldehyde into CO2 increased in high humidity as compared to dry conditions. Moreover, fixation of T500 on mica sheet using binders resulted in promising photocatalytic performance, making it a potential candidate for air purification applications. Fourier-transform infra-red (FT-IR) analysis confirmed the stable existence of binder structure under dry air and UV treatment, which is crucial for real applications.

采用简单的溶胶凝胶法合成了二氧化钛光催化剂,并分别在 300、500 和 600°C 下进行了退火处理。评估了制备的二氧化钛和退火的二氧化钛样品在紫外光照射下分解乙醛的光催化性能。在 500°C 下退火的二氧化钛(T500)具有最高的乙醛去除性能,这归因于其结晶度、缺陷密度、表面积、二氧化钛双相窄带隙以及电荷载流子寿命的综合影响。在潮湿条件下,T500 的整体乙醛去除性能略有下降,但与干燥条件相比,高湿度条件下乙醛被完全氧化成 CO2 的程度有所增加。此外,使用粘合剂将 T500 固定在云母片上可获得良好的光催化性能,使其成为空气净化应用的潜在候选材料。傅立叶变换红外(FT-IR)分析证实了粘合剂结构在干燥空气和紫外线处理条件下的稳定存在,这对实际应用至关重要。
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引用次数: 0
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Bulletin of the Korean Chemical Society
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