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Compounds, Volume 1, Issue 3 (December 2021) – 7 articles

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10 pages, 1310 KiB  
Article
The Scent of Himantoglossum Species Found in Basilicata (Southern Italy)
by Marisabel Mecca, Rocco Racioppi, Vito Antonio Romano, Licia Viggiani, Richard Lorenz and Maurizio D’Auria
Compounds 2021, 1(3), 164-173; https://doi.org/10.3390/compounds1030015 - 20 Dec 2021
Cited by 6 | Viewed by 2392
Abstract
The SPME (Solid Phase Microextraction) analysis of the scent of H. hircinum showed the presence of elemicin in the presence of a relevant amount of eugenol. The scent of the sample of H. adriaticum collected in Abruzzo showed the presence 4-amino-5-(4-morpholinylmethyl)-2-oxazolidinone, β-ocimene, decyl [...] Read more.
The SPME (Solid Phase Microextraction) analysis of the scent of H. hircinum showed the presence of elemicin in the presence of a relevant amount of eugenol. The scent of the sample of H. adriaticum collected in Abruzzo showed the presence 4-amino-5-(4-morpholinylmethyl)-2-oxazolidinone, β-ocimene, decyl decanoate, and 9-tricosene as main components. The sample of H. adriaticum collected at Marsico Nuovo has an aroma where the main component was pentadecyl hexanoate, 9-tricosene, methyleugenol, tetradecane, pentadecane, and elemicin. The samples of H. adriaticum collected at Viggianello showed some similarities in the scent: the main components were 9-tricosene and methyleugenol. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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10 pages, 1490 KiB  
Communication
Glucosylimidazolium Hydroxide: A Bench-Stable Carbohydrate Based Building Block
by Johannes Schnegas and Stefan Jopp
Compounds 2021, 1(3), 154-163; https://doi.org/10.3390/compounds1030014 - 07 Dec 2021
Cited by 3 | Viewed by 2903
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 [...] Read more.
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. Full article
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9 pages, 541 KiB  
Article
Synthesis of Optically Active Bicyclic Derivatives of Nitroimidazoles
by Justyna Żwawiak and Lucjusz Zaprutko
Compounds 2021, 1(3), 145-153; https://doi.org/10.3390/compounds1030013 - 02 Dec 2021
Cited by 2 | Viewed by 2464
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 [...] Read more.
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. Full article
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11 pages, 216 KiB  
Review
Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics
by Marina V. Malyshkina and Alexander S. Novikov
Compounds 2021, 1(3), 134-144; https://doi.org/10.3390/compounds1030012 - 16 Nov 2021
Cited by 6 | Viewed by 5706
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 [...] Read more.
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. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
9 pages, 1007 KiB  
Review
Distribution and Role of Oct-1-en-3-ol in Marine Algae
by Igor Jerković, Sanja Radman and Stela Jokić
Compounds 2021, 1(3), 125-133; https://doi.org/10.3390/compounds1030011 - 08 Oct 2021
Cited by 2 | Viewed by 2288
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; [...] Read more.
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. Full article
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9 pages, 1302 KiB  
Article
GC-MS Analysis and In Silico Approaches of Indigofera heterantha Root Oil Chemical Constituents
by Muhammad Aurang Zeb, Taj Ur Rahman, Muhammad Sajid, Weilie Xiao, Syed Ghulam Musharraf, Shabana Bibi, Takashiro Akitsu and Wajiha Liaqat
Compounds 2021, 1(3), 116-124; https://doi.org/10.3390/compounds1030010 - 28 Sep 2021
Cited by 6 | Viewed by 3192
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 [...] Read more.
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. Full article
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22 pages, 1285 KiB  
Review
3D Printing in Drug Delivery and Biomedical Applications: A State-of-the-Art Review
by Muhammad Arif Mahmood
Compounds 2021, 1(3), 94-115; https://doi.org/10.3390/compounds1030009 - 24 Sep 2021
Cited by 17 | Viewed by 6432
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 [...] Read more.
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. Full article
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