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Hybrid or Component?—Schiff Base Complexes and Laccase 混合式还是组件式?-希夫碱配合物和漆酶
Pub Date : 2022-11-01 DOI: 10.3390/compounds2040025
T. Akitsu
To date, only a few articles related to the hybrid materials of Schiff base metal complexes and laccase, an oxygen-reducing enzyme, have been published in Compounds since its inception in 2021 [...]
自《化合物》杂志于2021年创刊以来,迄今为止,只有几篇与希夫碱金属配合物和漆酶(一种氧还原酶)的杂化材料相关的文章发表[…]
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引用次数: 1
Extraction of Polyphenolic and Volatile Compounds from Cistus creticus Using Deep Eutectic Solvents and Pulsed Electric Fields 深共晶溶剂和脉冲电场法提取山茱萸中多酚类和挥发性化合物
Pub Date : 2022-11-01 DOI: 10.3390/compounds2040026
D. Palaiogiannis, V. Athanasiadis, Eleni Bozinou, Theodoros G. Chatzimitakos, D. Makris, S. Lalas
To date, many studies have been published, aiming to extract bioactive compounds from plants. Lately, research focuses on maximizing the extraction yield, using environmentally friendly techniques and solvents. In this study, the extraction of polyphenolic compounds from Cistus creticus is discussed. Extraction of the compounds has been carried out with water and ethanol, employing the most common approach. To further enhance the extraction yield, the usage of four deep eutectic solvents (DESs) has also been examined. In an effort to further enhance the extraction yield, pulsed electric fields have also been employed. According to the results, it was evident that the use of DESs made of glycerol: choline chloride (2:1) increased the extraction yield by 75%, compared to extraction with water. Moreover, the use of pulsed electric fields enhanced the extraction yield of the common approach, by up to 70%. When pulsed electric fields and DESs were combined, the extraction yield increased by 14%, compared to the use of DESs only. Finally, the extract was analyzed for its content in volatile compounds, and it was found that new compounds could be extracted with the use of DESs.
迄今为止,已经发表了许多旨在从植物中提取生物活性化合物的研究。近年来,研究的重点是最大限度地提高提取率,使用环保的技术和溶剂。本研究主要对山茱萸中多酚类化合物的提取进行了研究。采用最常用的方法,用水和乙醇进行了化合物的提取。为了进一步提高萃取率,研究了四种深共晶溶剂(DESs)的使用。为了进一步提高萃取率,还采用了脉冲电场。结果表明,使用甘油:氯化胆碱(2:1)制备的DESs,与用水提取相比,提取率提高了75%。此外,脉冲电场的使用提高了普通方法的提取率,最高可达70%。当脉冲电场和DESs结合使用时,与仅使用DESs相比,提取率提高了14%。最后对提取液的挥发性化合物含量进行了分析,发现利用DESs可以提取新的化合物。
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引用次数: 5
Assessing Antipsoriatic Effects of Bitter Pu’er Tea and Its Three Major Compounds, Strictinin, Theacrine and Epigallocatechin Gallate, in Imiquimod-Treated Mice 苦普洱茶及其三种主要化合物——缩紧素、茶碱和没食子儿茶素没食子酸酯对吡喹莫德治疗小鼠的抗银屑病作用
Pub Date : 2022-11-01 DOI: 10.3390/compounds2040024
Pei-Yi Lin, Cian-Fen Jhuo, Nan-hei Lin, Wen-Ying Chen, J. Tzen
Psoriasis is a chronic inflammatory skin disease with hyperproliferation and aberrant differentiation of keratinocytes in association with the elevation of interleukin-17A (IL-17A) and IL-23 levels. In an animal model, psoriasis-like dermatitis was induced on the shaved dorsal skin of BALB/c mice by topical application of imiquimod (IMQ), a synthetic ligand of Toll-like receptor 7. Administration of bitter Pu’er tea significantly reduced psoriasis-like dermatitis in IMQ-treated mice, including a reduction in dorsal skin lesions, splenomegaly and the mRNA expression levels of IL-17A and IL-23. To examine putative antipsoriatic constituents, three major compounds in bitter Pu’er tea, strictinin, theacrine and epigallocatechin gallate (EGCG), were separately given as supplements to IMQ-treated mice. The results showed that all the three compounds attenuated the severity of psoriasis by reducing epidermal thickness. Only theacrine significantly attenuated splenomegaly. All the three compounds inhibited the expression of IL-23 mRNA in the skin as well as reduced the content of IL-17A+CD4+ T cells in the spleen, and strictinin was found to be relatively effective. It seemed that the antipsoriatic activity of bitter Pu’er tea was attributed to the additive effects of its multiple active compounds.
银屑病是一种慢性炎症性皮肤病,与白细胞介素- 17a (IL-17A)和IL-23水平升高相关的角化细胞增生和异常分化。在动物模型中,局部应用toll样受体7的合成配体咪喹莫特(IMQ)在BALB/c小鼠剃光的背部皮肤上诱导银屑病样皮炎。苦普洱茶显著减少imq处理小鼠的银屑病样皮炎,包括背部皮肤病变、脾肿大和IL-17A和IL-23 mRNA表达水平的减少。为了检验推测的抗银屑病成分,苦普洱茶中的三种主要化合物,紧缩素,茶碱和表没食子儿茶素没食子酸酯(EGCG)分别作为imq处理小鼠的补充物。结果表明,三种化合物均通过降低表皮厚度来减轻银屑病的严重程度。只有雄激素能明显减轻脾肿大。三种化合物均能抑制皮肤IL-23 mRNA的表达,降低脾脏IL-17A+CD4+ T细胞的含量,其中strictinin效果较好。苦普洱茶的抗银屑病作用似乎是多种活性成分的叠加作用。
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引用次数: 3
Influence of Secondary Interactions on Structural Diversity between a Pair of Halogen-Bonded Co-Crystals Containing Isosteric Donors 二次相互作用对含等构给体的卤素键共晶结构多样性的影响
Pub Date : 2022-10-28 DOI: 10.3390/compounds2040023
H. Krueger, Nicole M. Shapiro, E. Bosch, D. Unruh, R. Groeneman
The formation of a pair of co-crystals based upon isosteric halogen-bond donors, namely 1,4-diiodoperchlorobenzene and iodoperchlorobenzene, along with the acceptor 4,4-bipyridine is reported. As expected, the components in each co-crystal engage in halogen bonding interactions resulting in a one-dimensional chain-like structure. In particular, the co-crystal containing 1,4-diiodoperchlorobenzene is primarily held together by I···N halogen bonds while the solid based upon iodoperchlorobenzene forms both I···N and Cl···N interactions. Structural diversity is achieved between these co-crystals based upon the type of secondary interactions involving the chlorine atoms on each halogen-bond donor even though they are isosteric in nature.
报道了基于等构卤键给体即1,4-二碘过氯苯和碘过氯苯与受体4,4-联吡啶形成的一对共晶。正如预期的那样,每个共晶中的组分参与卤素键相互作用,从而形成一维链状结构。特别是含有1,4-二碘过氯苯的共晶主要通过I···N卤素键结合在一起,而基于碘过氯苯的固体同时形成I···N和Cl··N相互作用。这些共晶之间的结构多样性是基于涉及每个卤素键供体上氯原子的二级相互作用的类型,尽管它们本质上是等构的。
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引用次数: 2
Traditional Chinese Medicines and Prescriptions Brought from China to Japan by a Monk (Jianzhen, Japanese: Ganjin): A Historical Review 由僧人(简真,日文:甘津)从中国传入日本的中药和方剂:历史回顾
Pub Date : 2022-10-18 DOI: 10.3390/compounds2040022
Shihui Liu, Toshihiko Matsuo, C. Matsuo, Takumi Abe
(1) Background: Japanese Kampo medicine has its origin in ancient Chinese medicine. In 742, a Tang Dynasty monk named Jianzhen (Ganjin) was invited by Japanese clerics to visit Japan and teach commandments in Buddhism. Because of the dangers of the voyage and also other obstacles, he took 11 years to reach Japan on the sixth voyage and he was blind when he arrived in Japan. He was the first person in China to go to Japan to establish the Buddhism commandments, and he was also the first person in Japan to directly teach traditional Chinese medicine. Until now, there have been few reports in English about the details of the Chinese herbal medicines he brought to Japan, including the types of herbal medicines, pharmacological activities, and formulations. In the review, we systematically and comprehensively summarized Jianzhen’s life from the standpoint of his medical and pharmaceutical knowledge and the types and pharmacological activities of Chinese herbal medicines and prescriptions that were brought to Japan by Jianzhen; (2) Methods: A review was made on the relevant literature written by Chinese, Japanese, and English languages regarding the medical and pharmacological knowledge of Jianzhen, the 36 Chinese herbal medicines brought to Japan by Jianzhen, and the pharmacological and therapeutic effects of these 36 herbal medicines, as well as their formulations; (3) Results: The review of the literature proved that Jianzhen’s prescriptions served as a basis for current herbal medicines (Kampo) in Japan. In the process of the literature search, we found a book entitled Jianshangren (Holy Priest Jianzhen)’s Secret Prescription, which recorded the complete prescription of the 36 traditional Chinese medicines Jianzhen brought to Japan; (4) Conclusions: Jianzhen is one of the ancestors of traditional Chinese medicine/Kampo medicine, and he brought traditional Chinese medicine and medical books to Japan for patients. He made important contributions to the development of traditional Chinese medicine in Japan.
(1)背景:日本汉方医学起源于古代中医。公元742年,一位名叫鉴真(甘津)的唐朝僧人应日本僧侣之邀访问日本,传授佛教戒律。由于航行的危险和其他障碍,他花了11年的时间才在第六次航行中到达日本,当他到达日本时,他已经失明了。他是中国第一个到日本建立佛法戒律的人,也是日本第一个直接教授中医的人。到目前为止,关于他带到日本的中草药的详细情况,包括草药的种类、药理活性和配方,英文报道很少。本文从简真的医药学知识、简真传入日本的中草药和方剂的种类和药理作用等方面,系统、全面地总结了简真的一生;(2)方法:通过查阅中、日、英三种文字的相关文献,对鉴真的医学药理知识、鉴真带到日本的36种中草药、这36种中草药的药理、治疗作用及其配方进行综述;(3)结果:通过文献综述,证明简珍方剂是日本现代中草药(汉方)的基础。在文献检索过程中,我们发现了一本名为《建尚仁秘方》的书,书中记载了建真带到日本的36种中药的完整处方;(4)结论:鉴真是中医/汉布医学的鼻祖之一,他将中医和医书带到日本供患者使用。他为日本中医的发展做出了重要贡献。
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引用次数: 0
Computational Study on the Conformational Preferences of Neutral, Protonated and Deprotonated Glycine Dimers 中性、质子化和去质子化甘氨酸二聚体构象偏好的计算研究
Pub Date : 2022-10-12 DOI: 10.3390/compounds2040021
M. Pita, R. Mosquera
A conformational analysis has been carried out for monoprotonated, unprotonated and deprotonated glycine dimers in the gas phase and an aqueous solution. MP2/6-311++(d,p), B3LYP/6-311++(d,p) and M06/6-311++(d,p) optimizations were performed for more than 200 initial conformations comprising nonionic (COOH–CH2–NH2) (N) and zwitterionic (COO−–CH2–NH3+) (Z) structures for neutral monomers. All the methods indicate that Z monomers are preferred over N ones for the neutral and deprotonated dimers in aqueous solutions, whereas the reverse trend is observed in the gas phase (including also protonated dimers). NC and ZC structures coexist in aqueous solutions for the protonated glycine dimer. The preferred geometries are significantly different depending on the media and total dimer charge. Moreover, several minima display close energies in each series (media and total dimer charge). New conformers, not previously reported, are found to be significantly populated in those conformational mixtures. Dimers containing Z monomers are associated with larger absolute solvation energies and are more prone than N-containing ones to experience protonation and deprotonation in the gas phase, whereas the reverse trend is observed in the aqueous solution. The Quantum Theory of Atoms in Molecules (QTAIM) analysis reveals that uncharged dimers display trifling electron density transfer between monomers, whereas it is significant in anionic and cationic dimers.
对单质子化、非质子化和去质子化甘氨酸二聚体在气相和水溶液中的构象进行了分析。MP2/6-311++(d,p)、B3LYP/6-311++(d,p)和M06/6-311++(d,p)对中性单体的200多种初始构象进行了优化,包括非离子(COOH-CH2-NH2) (N)和两性离子(COO−-CH2-NH3 +) (Z)结构。结果表明,中性二聚体和去质子化二聚体在水溶液中表现为Z单体优于N单体,而在气相(也包括质子化二聚体)中表现为相反的趋势。质子化甘氨酸二聚体的NC和ZC结构在水溶液中共存。根据介质和总二聚体电荷的不同,优选的几何形状有显著的不同。此外,在每个系列(介质和总二聚体电荷)中,有几个最小值显示接近能量。新的构象,以前没有报道,被发现大量填充在这些构象混合物。含Z单体的二聚体具有更大的绝对溶剂化能,并且在气相中比含n单体的二聚体更容易发生质子化和去质子化,而在水溶液中则相反。分子中原子的量子理论(QTAIM)分析表明,不带电的二聚体在单体之间表现出微小的电子密度转移,而在阴离子和阳离子二聚体中则表现出显著的电子密度转移。
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引用次数: 0
Effect of KCl Addition on First Hydrogenation Kinetics of TiFe KCl加成对TiFe首次加氢动力学的影响
Pub Date : 2022-10-06 DOI: 10.3390/compounds2040020
J. Manna, J. Huot
In this paper, the effect of the addition of potassium chloride (KCl) by ball milling on the first hydrogenation kinetics of TiFe is reported. After milling, KCl was uniformly distributed on the TiFe’s surface. As-synthesized TiFe does not absorb hydrogen. However, after ball milling with KCl, it absorbed 1.5 wt.% of hydrogen on the first hydrogenation without any thermal treatment. The storage capacity of TiFe with KCl addition is higher than that of the ball milled pure TiFe. The effects of the amount of KCl additive in TiFe and ball milling time on first hydrogenation kinetics are reported. It is noted that, with an increase in KCl amount and ball milling time, hydrogenation kinetics are improved. However, hydrogen storage capacity decreased for both cases.
本文报道了球磨法添加氯化钾对TiFe首次加氢动力学的影响。铣削后,KCl均匀分布在fe表面。合成态铁不吸收氢。然而,经KCl球磨后,未经任何热处理,在第一次加氢时,它吸收了1.5 wt.%的氢。添加KCl后的fe的存储容量高于纯fe的存储容量。研究了铁中氯化钾添加量和球磨时间对首次加氢动力学的影响。随着KCl用量的增加和球磨时间的延长,氢化动力学得到改善。然而,两种情况下的储氢能力都有所下降。
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引用次数: 2
Feature Papers in Compounds 化合物专题论文
Pub Date : 2022-10-01 DOI: 10.3390/compounds2040019
J. Mejuto
Nearly two years ago, when Compounds was founded, the journal was introduced as an interdisciplinary tool for the scientific community to present their scientific results in an open access format so that their findings are disseminated quickly and efficiently [...]
大约两年前,当《化合物》创刊时,该杂志作为一个跨学科的工具被引入,供科学界以开放获取的形式展示他们的科学成果,以便他们的发现能够迅速有效地传播[…]
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引用次数: 1
Waste-Glycerol as a Precursor for Carbon Materials: An Overview 废甘油作为碳材料的前驱体:综述
Pub Date : 2022-09-16 DOI: 10.3390/compounds2030018
M. Batista, Sílvia Carvalho, Renato Carvalho, M. Pinto, J. Pires
Biodiesel is produced by the transesterification of animal fats and vegetable oils, producing a large amount of glycerol as a by-product. The crude glycerol cannot be used in the food or pharmaceutical industries. It is crucial to transform glycerol into value-added products with applications in different areas to biodiesel be economically viable. One of the possible applications is its use as a precursor for the synthesis of carbon materials. The glycerol-based carbon materials have distinct properties due to the presence of sulfonic acid groups on the material surface, making them efficient catalysts. Additionally, the glycerol-based activated carbon materials show promising results concerning the adsorption of gases and liquid pollutants and recently as capacitors. Despite their potential, currently, little research has been carried out on the synthesis and application of those materials. This review summarized the preparation and application of carbon materials from glycerol, intending to show the potential of these materials.
生物柴油是通过动物脂肪和植物油的酯交换反应生产的,产生大量的甘油作为副产品。粗甘油不能用于食品或制药工业。将甘油转化为具有附加值的产品,在不同领域应用于生物柴油在经济上是可行的,这是至关重要的。其中一个可能的应用是将其用作合成碳材料的前体。甘油基碳材料由于在材料表面存在磺酸基团而具有独特的性能,使其成为有效的催化剂。此外,甘油基活性炭材料在气体和液体污染物的吸附以及最近作为电容器方面显示出有希望的结果。尽管它们具有潜力,但目前对这些材料的合成和应用进行的研究很少。本文综述了甘油碳材料的制备及其应用,以期揭示这些材料的发展潜力。
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引用次数: 2
Ethnomedicinal, Phytochemistry and Antiviral Potential of Turmeric (Curcuma longa) 姜黄(Curcuma longa)的民族医药、植物化学和抗病毒潜力
Pub Date : 2022-08-26 DOI: 10.3390/compounds2030017
B. B. Srivastava, A. Ripanda, Hossein Miraji Mwanga
Turmeric (Curcuma longa) has been a famous root crop for its medicinal properties since pre-historical times. Lack of effective therapeutics for most viral diseases, higher cost of some antiviral therapies, and the emergence of antiviral drug resistance are increasingly reported. Drug resistance is predicted to be a leading cause of mortality globally by 2050, thus requiring intervention. The need for effective natural antiviral compounds to mitigate viral diseases, such as curcumin, calls for further studies. Curcumin, a primary curcuminoid compound, has demonstrated a broad activity as an antiviral agent. Due to the need to overcome drug resistance to chemically synthesised drugs, the best option is to improve and adapt the use of natural antiviral agents. The antiviral potential of curcumin is hindered by its solubility and bioavailability. Recently, different techniques, such as the preparation of curcumin carbon quantum dots, have been used to improve curcumin antiviral activity. Therefore, the current review aims to assess curcumin’s benefits as a natural antiviral agent and techniques to improve its medicinal activity. Future use of curcumin will aid in mitigating viral diseases, including resistant strain, hence sustainability of the entire community. In this case, research and innovation are required to improve the solubility and bioavailability of curcumin for medical uses.
自史前以来,姜黄(Curcuma longa)一直是一种著名的根茎作物,具有药用价值。大多数病毒性疾病缺乏有效的治疗方法,一些抗病毒治疗费用较高,以及出现抗病毒药物耐药性的报道越来越多。预计到2050年,耐药性将成为全球死亡的主要原因,因此需要进行干预。需要有效的天然抗病毒化合物来减轻病毒性疾病,如姜黄素,这需要进一步的研究。姜黄素是一种主要的姜黄素类化合物,已被证明具有广泛的抗病毒活性。由于需要克服对化学合成药物的耐药性,最好的选择是改进和适应天然抗病毒药物的使用。姜黄素的抗病毒潜力受到其溶解度和生物利用度的阻碍。近年来,姜黄素碳量子点的制备等技术被用于提高姜黄素的抗病毒活性。因此,本综述旨在评价姜黄素作为一种天然抗病毒药物的益处和提高其药用活性的技术。未来姜黄素的使用将有助于减轻病毒性疾病,包括耐药菌株,因此整个社区的可持续性。在这种情况下,需要进行研究和创新,以提高姜黄素的溶解度和生物利用度。
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引用次数: 8
期刊
Compounds
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