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Spatial and Temporal Variability of the Floral Scent Emitted by Barlia robertiana (Loisel.) Greuter, a Mediterranean Food-Deceptive Orchid 巴利亚(Barlia robertiana)花香的时空变异特征地中海食物欺骗兰花
Pub Date : 2022-01-27 DOI: 10.3390/compounds2010004
V. Romano, L. Rosati, S. Fascetti, Anna Maria Roberta Cittadini, R. Racioppi, R. Lorenz, M. D’Auria
This study on Barlia robertiana aims to: (1) assess whether scent is variable between populations; (2) evaluate whether scent composition may be related to geographical variables; (3) assess whether there are VOC differences during the flowering phase; and (4) assess whether there are yearly VOC variabilities. SPME sampling was used. Fourteen plants, collected along an ecological gradient, were analyzed. A multivariate analysis was performed through ordination and hierarchical cluster analysis. Compositions versus geographic distances were also analyzed using Mantel test. Seventy compounds were identified. Multivariate analyses and Mantel tests detected no correlations between VOC composition and both geographic and ecological variables. These results may suggest that there is no adaptation of floral scent to local environments. VOC compositions during the flowering phase showed a slight change but a strong variability between individuals. A huge difference was found in the pairwise comparison of the plants analyzed in different years. The high scent variability can be interpreted as a strategy of a non-rewarding but allogamous species to not allow the learning by pollinators. In fact, disrupting the association among floral scent signals with the lack of nectar may enhance the fruit set via a higher probability of being visited by insects.
本研究旨在:(1)评估不同种群间气味是否存在差异;(2)评估气味成分是否与地理变量相关;(3)评估开花阶段是否存在VOC差异;(4)评估是否存在年度VOC变异。采用SPME取样。对沿生态梯度采集的14种植物进行了分析。通过排序和层次聚类分析进行多变量分析。使用Mantel检验分析了成分与地理距离的关系。共鉴定出70个化合物。多变量分析和Mantel测试发现VOC组成与地理和生态变量之间没有相关性。这些结果可能表明,花香对当地环境没有适应性。花期挥发性有机化合物含量变化不大,但个体间差异较大。在不同年份的两两比较中发现了巨大的差异。这种高度的气味可变性可以解释为一种无回报但异交的物种不允许传粉者学习的策略。事实上,破坏花香信号与缺乏花蜜之间的联系,可能会增加昆虫光顾的可能性,从而提高果实的结实率。
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引用次数: 7
Estimation of Avocado Oil (Persea americana Mill., Greek “Zutano” Variety) Volatile Fraction over Ripening by Classical and Ultrasound Extraction Using HS-SPME–GC–MS 鳄梨油(Persea americana Mill)的评价。用HS-SPME-GC-MS对希腊“Zutano”品种成熟过程中的挥发分进行经典提取和超声提取
Pub Date : 2022-01-17 DOI: 10.3390/compounds2010003
Marinos Xagoraris, Eleni Galani, L. Valasi, Eleftheria H. Kaparakou, Panagiota-Kyriaki Revelou, P. Tarantilis, C. Pappas
The study of flavors and fragrances is a topic of rising interest from both marketing and scientific perspectives. Over the last few years, the cultivation of avocados has accelerated in Greece, with production levels elevated by 300%. There has been increasing attention from a number of growers and consumers on avocado oil, the volatiles of which form a key part of consumers’ purchase decisions. A previously unevaluated Zutano cultivar was chosen for this study. Extraction of the pulp oil was performed during three phases of ripening using Soxhlet and ultrasound techniques. Headspace-solid-phase microextraction (HS-SPME) and gas chromatography–mass spectrometry (GC–MS) were utilized in order to analyze the isolated volatile fraction. At least 44 compounds, including mainly terpenoids (61.7%) and non-terpenoid hydrocarbons (35.9%), presented in the Zutano variety, while (1S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene (a-copaene) and (1R,9S,Z)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (β-caryophyllene) were in higher abundance. The composition of the volatiles was unaffected by the extraction techniques but was influenced by the ripening stage. Thus, during maturation, the volatile fraction fluctuates, with a significantly higher abundance of terpenoids during the fourth day of the ripe stage, whilst it decreases during over-ripening. These findings demonstrate that the Zutano variety can be used to produce an aromatic oil and hence could be used, among others, as an ingredient in cosmetic products.
从市场营销和科学的角度来看,风味和香味的研究是一个日益引起人们兴趣的话题。在过去的几年里,希腊的鳄梨种植加速,产量提高了300%。许多种植者和消费者越来越关注牛油果油,牛油果油的挥发性成分是消费者购买决定的关键因素。本研究选择了一种以前未被评估过的祖塔诺品种。利用索氏法和超声波技术对果肉油进行了三个成熟阶段的提取。利用顶空固相微萃取(HS-SPME)和气相色谱-质谱(GC-MS)对分离得到的挥发分进行分析。Zutano品种中至少含有44种化合物,主要为萜类化合物(61.7%)和非萜类化合物(35.9%),而(1S,6S,7S,8S)-1,3-二甲基-8-丙烷-2-基三环[4.4.0.02,7]十二-3-烯(a-copaene)和(1R,9S,Z)-4,11,11-三甲基-8-亚甲基双环[7.2.0]十一-4-烯(β-石竹烯)的丰度较高。挥发物的成分不受提取工艺的影响,但受成熟期的影响。因此,在成熟过程中,挥发性组分波动,在成熟阶段的第四天,萜类化合物的丰度显著提高,而在过熟期间,萜类化合物的丰度降低。这些发现表明,祖塔诺品种可以用来生产芳香油,因此,除其他外,可以用作化妆品的成分。
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引用次数: 1
Compounds: New Challenges 化合物:新的挑战
Pub Date : 2022-01-04 DOI: 10.3390/compounds2010001
J. Mejuto
One year ago, we began the adventure of editing Compounds (ISSN 2673-6918), a journal devoted to the synthesis, characterization, and properties of compounds, as well as their reactivity from both a theoretical and experimental point of view [...]
一年前,我们开始了编辑化合物(ISSN 2673-6918)的冒险,这是一本致力于从理论和实验角度研究化合物的合成、表征和性质以及它们的反应性的杂志[…]
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引用次数: 1
Glucosylimidazolium Hydroxide: A Bench-Stable Carbohydrate Based Building Block 氢氧化葡萄糖氨基咪唑:一种稳定的碳水化合物
Pub Date : 2021-12-07 DOI: 10.3390/compounds1030014
Johannes Schnegas, S. Jopp
Hygroscopic effects in ionic liquids and salts in general, and how to suppress said hygroscopy, often needs to be considered during the everyday work routine. Chemicals that decompose, undergo hydrolysis or in any way change their composition when exposed to air are generally not considered to be bench-stable. In this study, we synthesized a low-hygroscopic, bench-stable carbohydrate-based hydroxide salt. This new product was synthesized in an optimized three-step procedure with 91% overall yield. Its worth as a building block was proven through the reaction with different natural acids, leading to new carbohydrate-based ionic liquids (CHILs) in the process.
一般来说,离子液体和盐的吸湿作用,以及如何抑制这种吸湿作用,经常需要在日常工作中考虑。当暴露于空气中时,分解、水解或以任何方式改变其成分的化学物质通常不被认为是稳定的。在这项研究中,我们合成了一种低吸湿性、台架稳定性的碳水化合物基氢氧化物盐。新产物经优化三步合成,总收率达91%。通过与不同天然酸的反应,证明了其作为构建材料的价值,并在此过程中产生了新的碳水化合物基离子液体(CHILs)。
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引用次数: 2
Synthesis of Optically Active Bicyclic Derivatives of Nitroimidazoles 光学活性硝基咪唑双环衍生物的合成
Pub Date : 2021-12-02 DOI: 10.3390/compounds1030013
Justyna Żwawiak, L. Zaprutko
Nitroimidazoles are characterized by a wide range of biological activity and many of them are used as therapeutics. Moreover, some bicyclic nitroimidazooxazoles show considerable potency against Mycobacterium tuberculosis. Some authors noticed that in the case of chiral derivatives of nitroimidazodihydrooxazoles, the (R) form shows a greater tuberculostatic activity than the (S) enantiomer. This work describes the procurement of new 12 enantiomeric bicyclic derivatives of nitroimidazole.
硝基咪唑具有广泛的生物活性,其中许多被用作治疗药物。此外,一些双环硝基咪唑唑类药物对结核分枝杆菌显示出相当大的效力。一些作者注意到,在硝基咪唑二氢恶唑的手性衍生物的情况下,(R)形式显示出比(S)对映体更大的结核活性。本工作描述了新的12个硝基咪唑对映体双环衍生物的采购。
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引用次数: 2
Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics 量子化学和分子动力学计算机建模的现代软件
Pub Date : 2021-11-16 DOI: 10.3390/compounds1030012
M. V. Malyshkina, A. Novikov
The most popular modern programs for quantum chemical and molecular dynamics (classical, ab initio, and QM/MM) calculations, which are relevant for the investigation of nature and various properties of different molecules and periodic chemical systems such as nanotubes, surfaces and films, polymers, and crystalline solids, are highlighted and briefly discussed.
最流行的量子化学和分子动力学(经典,从头算,和QM/MM)计算的现代程序,这是有关的性质和不同的分子和周期性化学系统,如纳米管,表面和薄膜,聚合物和结晶固体的各种性质的研究,强调和简要讨论。
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引用次数: 5
Distribution and Role of Oct-1-en-3-ol in Marine Algae Oct-1-en-3-ol在海藻中的分布及作用
Pub Date : 2021-10-08 DOI: 10.3390/compounds1030011
I. Jerković, S. Radman, S. Jokić
Oct-1-en-3-ol has been studied among oxylipins as a global metabolome that induce the defense of marine algae. The present short review summarized the research of oct-1-en-3-ol as the stress response molecule in marine algae including different aspects: (i) its biosynthesis from fatty acids; (ii) its distribution in marine algae; (iii) a direct effect of oct-1-en-3-ol on microorganisms infecting the thalli; (iv) an indirect communication molecule for alga-alga signaling; and (v) as an inducer that initiates the defense response of algae.
在氧脂类中,Oct-1-en-3-ol作为一种全球代谢组被研究,诱导海藻的防御。本文综述了辛烷醇-1-烯-3-醇作为海藻应激反应分子的研究进展,包括:(1)从脂肪酸中生物合成辛烷醇;(ii)在海藻中的分布;(iii) oct-1-en-3-ol对感染菌体的微生物的直接影响;(iv)海藻间信号传递的间接通讯分子;(5)作为诱导剂,引发藻类的防御反应。
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引用次数: 1
GC-MS Analysis and In Silico Approaches of Indigofera heterantha Root Oil Chemical Constituents 靛蓝根油化学成分的气相色谱-质谱分析及计算机方法研究
Pub Date : 2021-09-28 DOI: 10.3390/compounds1030010
M. Zeb, T. Rahman, M. Sajid, Weilie Xiao, S. Musharraf, S. Bibi, T. Akitsu, W. Liaqat
The phytochemical investigation on Indigofera heterantha root oil resulted in the identification of 121 phytochemicals using GC-MS analysis. These phytochemicals were docked against alpha-amylase, alpha-glucosidase enzymes. The docking results suggested that Hexacosyl acetate (121) possess alpha-amylase inhibitory potential with a docking score of −8.2944994 and the interaction with alpha-glucosidase enzyme was −9.73762512, followed by 9, 12, 15-Octadecatrienoic acid, 2, 3-dihydroxypropyl ester, (Z, Z, Z)-(83) with a docking score of −9.59869957, showed outstanding results in all the stages of the study and may be shown as the most auspicious phytochemical resulting from the docking studies of the new antidiabetic drug. Additionally, Pharmacokinetic and PASS studies revealed their drug-likeness, expected safety upon consumption, and likely pharmacological effects.
采用气相色谱-质谱联用分析方法,鉴定出121种不同成分的植物化学成分。这些植物化学物质与α -淀粉酶、α -葡萄糖苷酶对接。对接结果表明,乙酸六酯(121)具有α -淀粉酶抑制潜力,对接得分为−8.2944994,与α -葡萄糖苷酶的相互作用为−9.73762512,其次是9,12,15 -十八碳三烯酸,2,3 -二羟丙基酯,(Z, Z, Z)-(83),对接得分为−9.59869957。在研究的各个阶段都表现出突出的效果,可能是新型降糖药对接研究中最吉祥的植物化学物质。此外,药代动力学和PASS研究揭示了它们的药物相似性、预期的食用安全性和可能的药理作用。
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引用次数: 4
3D Printing in Drug Delivery and Biomedical Applications: A State-of-the-Art Review 3D打印在药物输送和生物医学应用:最先进的审查
Pub Date : 2021-09-24 DOI: 10.3390/compounds1030009
M. A. Mahmood
Personalized medicines are gaining popularity day by day as they empower patient genomics and assist in improved drug design with minimum side effects. Various dosages can be combined into one dose that fits the patient’s requirements. For this purpose, 3D printing is a new technology to produce medicine based on patient needs. It utilizes controlled devices to prepare active pharmaceutical ingredients (API) in a layer-wise fashion to develop an appropriate tailored drug transport structure. It contains numerous methods, including inkjet printing and fused deposition modeling. For this purpose, scientists have used various materials, including polyvinyl alcohol, polylactic acid and polycaprolactone. These materials have been applied to design and develop forms that are suitable for tuning the drug release. Different forms of dosages, including tablets (immediate and pulsatile release) and transdermic dosages, can be produced using the 3D printing technique. Furthermore, the 3D printing technique can also be used to prepare customized medicines to treat life-threatening diseases. In the case of patients needing various medicines, a 3D printer can be used to design and manufacture only one dosage incorporating different medicines. This article reviewed 3D printing utilization for customized medicines based on one’s needs. Various methods and materials used in medicine 3D printing were discussed with their applications.
个性化药物日益受到欢迎,因为它们赋予患者基因组学能力,并以最小的副作用帮助改进药物设计。不同的剂量可以组合成一个适合病人需要的剂量。为此,3D打印是一项根据患者需求生产药物的新技术。它利用受控设备以分层方式制备活性药物成分(API),以开发适当的定制药物运输结构。它包含许多方法,包括喷墨打印和熔融沉积建模。为此,科学家们使用了各种材料,包括聚乙烯醇、聚乳酸和聚己内酯。这些材料已被应用于设计和开发适合调节药物释放的形式。使用3D打印技术可以生产不同形式的剂量,包括片剂(立即和脉冲释放)和透皮剂量。此外,3D打印技术还可以用于制作定制药物来治疗危及生命的疾病。在病人需要多种药物的情况下,3D打印机可以用来设计和制造一种含有不同药物的剂量。本文综述了3D打印在个性化定制药品中的应用。讨论了医学3D打印中使用的各种方法和材料及其应用。
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引用次数: 15
Volatile Organic Compounds from Orchis Species Found in Basilicata (Southern Italy) 巴西利卡塔(意大利南部)兰科植物的挥发性有机化合物
Pub Date : 2021-09-02 DOI: 10.3390/compounds1020008
Marisabel Mecca, R. Racioppi, V. Romano, L. Viggiani, R. Lorenz, M. D’Auria
This study is part of a project devoted to determining the scent of all the orchid species present in Basilicata. All the analyses were performed by using the solid-phase microextraction technique coupled with gas chromatography-mass spectrometry. The scent of eight species belonging to the Orchis genus was investigated. In the case of O. anthropophora, caryophyllene, tetradecanal and hexadecanal were the main components of the aroma; in O. purpurea, 3,5-dimethoxytoluene and elemicin were found; in O. italica, caryophyllene and 4-(3-hydroxy-2-methoxyphenyl)butan-2-one were found; in O. pauciflora, linalool and 1,4-dimethoxybenzene were found; in O. mascula, linalool was found; in O. quadripunctata, penta- and heptadecane were found; in O. provincialis, β-farnesene and farnesal were found; and in O. pallens, curcumene was the main product.
这项研究是一个项目的一部分,致力于确定巴西利卡塔所有兰花物种的气味。所有分析均采用固相微萃取技术和气相色谱-质谱联用进行。对8种兰花属植物的气味进行了研究。在人盲蝽中,石竹烯、十四烷醛和十六烷醛是其香气的主要成分;紫荆中含有3,5-二甲氧基甲苯和榄香素;在意大利莲中发现石竹烯和4-(3-羟基-2-甲氧基苯基)丁烷-2-酮;芍药中含有芳樟醇和1,4-二甲氧基苯;在O. mascula中发现了芳樟醇;在四刺草中发现了五烷和十七烷;在省O. provincialis中发现了β-法尼塞烯和法尼塞醛;黄茎中以姜黄素为主要产物。
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引用次数: 9
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Compounds
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