CompoundsPub Date : 2022-01-27DOI: 10.3390/compounds2010004
V. Romano, L. Rosati, S. Fascetti, Anna Maria Roberta Cittadini, R. Racioppi, R. Lorenz, M. D’Auria
{"title":"Spatial and Temporal Variability of the Floral Scent Emitted by Barlia robertiana (Loisel.) Greuter, a Mediterranean Food-Deceptive Orchid","authors":"V. Romano, L. Rosati, S. Fascetti, Anna Maria Roberta Cittadini, R. Racioppi, R. Lorenz, M. D’Auria","doi":"10.3390/compounds2010004","DOIUrl":"https://doi.org/10.3390/compounds2010004","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76088796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2022-01-17DOI: 10.3390/compounds2010003
Marinos Xagoraris, Eleni Galani, L. Valasi, Eleftheria H. Kaparakou, Panagiota-Kyriaki Revelou, P. Tarantilis, C. Pappas
{"title":"Estimation of Avocado Oil (Persea americana Mill., Greek “Zutano” Variety) Volatile Fraction over Ripening by Classical and Ultrasound Extraction Using HS-SPME–GC–MS","authors":"Marinos Xagoraris, Eleni Galani, L. Valasi, Eleftheria H. Kaparakou, Panagiota-Kyriaki Revelou, P. Tarantilis, C. Pappas","doi":"10.3390/compounds2010003","DOIUrl":"https://doi.org/10.3390/compounds2010003","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"51 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88279243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2022-01-04DOI: 10.3390/compounds2010001
J. Mejuto
{"title":"Compounds: New Challenges","authors":"J. Mejuto","doi":"10.3390/compounds2010001","DOIUrl":"https://doi.org/10.3390/compounds2010001","url":null,"abstract":"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 [...]","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"58 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78854525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-12-07DOI: 10.3390/compounds1030014
Johannes Schnegas, S. Jopp
{"title":"Glucosylimidazolium Hydroxide: A Bench-Stable Carbohydrate Based Building Block","authors":"Johannes Schnegas, S. Jopp","doi":"10.3390/compounds1030014","DOIUrl":"https://doi.org/10.3390/compounds1030014","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81812434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-12-02DOI: 10.3390/compounds1030013
Justyna Żwawiak, L. Zaprutko
{"title":"Synthesis of Optically Active Bicyclic Derivatives of Nitroimidazoles","authors":"Justyna Żwawiak, L. Zaprutko","doi":"10.3390/compounds1030013","DOIUrl":"https://doi.org/10.3390/compounds1030013","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90963754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-11-16DOI: 10.3390/compounds1030012
M. V. Malyshkina, A. Novikov
{"title":"Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics","authors":"M. V. Malyshkina, A. Novikov","doi":"10.3390/compounds1030012","DOIUrl":"https://doi.org/10.3390/compounds1030012","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90602223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-10-08DOI: 10.3390/compounds1030011
I. Jerković, S. Radman, S. Jokić
{"title":"Distribution and Role of Oct-1-en-3-ol in Marine Algae","authors":"I. Jerković, S. Radman, S. Jokić","doi":"10.3390/compounds1030011","DOIUrl":"https://doi.org/10.3390/compounds1030011","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77855305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-09-28DOI: 10.3390/compounds1030010
M. Zeb, T. Rahman, M. Sajid, Weilie Xiao, S. Musharraf, S. Bibi, T. Akitsu, W. Liaqat
{"title":"GC-MS Analysis and In Silico Approaches of Indigofera heterantha Root Oil Chemical Constituents","authors":"M. Zeb, T. Rahman, M. Sajid, Weilie Xiao, S. Musharraf, S. Bibi, T. Akitsu, W. Liaqat","doi":"10.3390/compounds1030010","DOIUrl":"https://doi.org/10.3390/compounds1030010","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"36 12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90664093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-09-24DOI: 10.3390/compounds1030009
M. A. Mahmood
{"title":"3D Printing in Drug Delivery and Biomedical Applications: A State-of-the-Art Review","authors":"M. A. Mahmood","doi":"10.3390/compounds1030009","DOIUrl":"https://doi.org/10.3390/compounds1030009","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89186166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CompoundsPub Date : 2021-09-02DOI: 10.3390/compounds1020008
Marisabel Mecca, R. Racioppi, V. Romano, L. Viggiani, R. Lorenz, M. D’Auria
{"title":"Volatile Organic Compounds from Orchis Species Found in Basilicata (Southern Italy)","authors":"Marisabel Mecca, R. Racioppi, V. Romano, L. Viggiani, R. Lorenz, M. D’Auria","doi":"10.3390/compounds1020008","DOIUrl":"https://doi.org/10.3390/compounds1020008","url":null,"abstract":"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.","PeriodicalId":10621,"journal":{"name":"Compounds","volume":"258 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84479158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}