المؤلفون: Mohd Abdul Fatah Abdul Manan, David B. Cordes, Aidan P. McKay

المصدر: IUCrData, Vol 9, Iss 3, p x240235 (2024)

مصطلحات موضوعية: crystal structure, dithiocarbazate, fluorine, isatin, z configuration, hydrogen bond, Crystallography, QD901-999

الوصف: The title compound, C16H12FN3OS, a fluorinated dithiocarbazate imine derivative, was synthesized by the one-pot, multi-component condensation reaction of hydrazine hydrate, carbon disulfide, 4-fluorobenzyl chloride and isatin. The compound demonstrates near-planarity across much of the molecule in the solid state and a Z configuration for the azomethine C=N bond. The Z form is further stabilized by the presence of an intramolecular N—H...O hydrogen bond. In the extended structure, molecules are linked into dimers by N—H...O hydrogen bonds and further connected into chains along either [2\overline{1}0] or [100] by weak C—H...S and C—H...F hydrogen bonds, which further link into corrugated sheets and in combination form the overall three-dimensional network.

وصف الملف: electronic resource

العلاقة: http://scripts.iucr.org/cgi-bin/paper?S2414314624002359Test; https://doaj.org/toc/2414-3146Test

الوصول الحر: https://doaj.org/article/575e2dc180f84b68b0f6e40886ce1112Test

المؤلفون: Manan, Mohd Abdul Fatah Abdul, Cordes, David B., McKay, Aidan P.

المصدر: Manan , M A F A , Cordes , D B & McKay , A P 2024 , ' 4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene) hydrazine-1-carbodithioate ' , IUCrData , vol. 9 , no. Pt 3 , x240235 . https://doi.org/10.1107/S2414314624002359Test

مصطلحات موضوعية: crystal structure, dithiocarbazate, fluorine, hydrogen bond, isatin, z configuration

الوصف: The title compound, C 16 H 12 FN 3 OS, a fluorinated dithiocarbazate imine derivative, was synthesized by the one-pot, multi-component condensation reaction of hydrazine hydrate, carbon disulfide, 4-fluorobenzyl chloride and isatin. The compound demonstrates near-planarity across much of the molecule in the solid state and a Z configuration for the azomethine C N bond. The Z form is further stabilized by the presence of an intramolecular N—H. . .O hydrogen bond. In the extended structure, molecules are linked into dimers by N—H. . .O hydrogen bonds and further connected into chains along either [210] or [100] by weak C—H. . .S and C—H. . .F hydrogen bonds, which further link into corrugated sheets and in combination form the overall three-dimensional network.

العلاقة: https://research-portal.st-andrews.ac.uk/en/researchoutput/4fluorobenzyl-z22oxoindolin3ylidene-hydrazine1carbodithioateTest(af85efca-2daf-42ea-b4b7-7395faea6b24).html

الإتاحة: https://doi.org/10.1107/S2414314624002359Test
https://research-portal.st-andrews.ac.uk/en/researchoutput/4fluorobenzyl-z22oxoindolin3ylidene-hydrazine1carbodithioateTest(af85efca-2daf-42ea-b4b7-7395faea6b24).html
http://www.scopus.com/inward/record.url?scp=85189660845&partnerID=8YFLogxKTest

المؤلفون: Mohd Abdul Fatah Abdul Manan, David B. Cordes, Aidan P. McKay, Mohd Fazli Mohammat, Mohd Fadhlizil Fasihi Mohd Aluwi, Nor Saliyana Jumali

المصدر: IUCrData, Vol 8, Iss 9, p x230782 (2023)

مصطلحات موضوعية: crystal structure, dithiocarbazate, 5-methylisatin, z configuration, hydrogen bonding, Crystallography, QD901-999

الوصف: The title compound, C17H15N3OS2 was obtained from the condensation reaction of S-benzyldithiocarbazate and 5-methylisatin. In the solid-state, the molecule adopts a Z configuration with the 5-methylisatin and dithiocarbazate groups located on the same side of the C=N bond, involving an intramolecular N—H...O hydrogen bond.

وصف الملف: electronic resource

العلاقة: http://scripts.iucr.org/cgi-bin/paper?S2414314623007824Test; https://doaj.org/toc/2414-3146Test

الوصول الحر: https://doaj.org/article/3b45e76ad4f246b397c32a22042330b6Test

المؤلفون: Mohamed A. Karali, Mathkar A. Alharthi, H.A. Refaey

المصدر: Case Studies in Thermal Engineering, Vol 33, Iss , Pp 101922- (2022)

مصطلحات موضوعية: Solar energy, Pipes networks, Flat plate solar collector, Z configuration, Flow uniformity, Tapered manifold, Engineering (General). Civil engineering (General), TA1-2040

الوصف: This paper intentions to study the effect of using different tapered longitudinal section manifolds rather than the uniform one, in a Z shaped flat plate solar collector on; the uniformity of flow distribution, pressure drop, and consequently temperature profile. To this end, a 3D CFD model is planned to mimic a parallel piping network of Z configuration. Considering both fluid and piping body domains, and moreover, the inlet and outlet junctions, that would affect the resulted system pressure drop. The system has the following specifications: uniform header diameter of 20 mm, manifold and header lengths of 1150 mm, ten tubes, tubes diameter of 7 mm, tubes length of 1780 mm, horizontally mounted, and, with imposed solar radiation. Different taper ratios of the manifold, from 1.0 to 2.4 are studied against inlet ReD ranges from 300 to 2100. The model is validated with existing experimental outcomes from literature and showed an excellent agreement. Two indices are used to quantify the flow distribution uniformity. Generally the results concluded that, for enhanced flow distribution uniformity, an optimum taper ratio is important to be defined per each ReD.

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2214157X2200168XTest; https://doaj.org/toc/2214-157XTest

الوصول الحر: https://doaj.org/article/f96d82816c76448b9bd617dd3e7e6d62Test

المؤلفون: Daniele Aiello, Hendrik Jonas, Anna Carbone, Daniela Carbone, Camilla Pecoraro, Luisa Tesoriere, Jens Köhler, Bernhard Wünsch, Patrizia Diana

المصدر: Molecules, Vol 27, Iss 21, p 7423 (2022)

مصطلحات موضوعية: indicaxanthins, betalamic acid, antioxidant, dehydrobromination, TEMPO oxidation, (E)-(Z) configuration, Organic chemistry, QD241-441

الوصف: Natural products are an excellent source of inspiration for the development of new drugs. Among them, betalains have been extensively studied for their antioxidant properties and potential application as natural food dyes. Herein, we describe the seven-step synthesis of new betalamic acid analogs without carboxy groups in the 2- and 6-position with an overall yield of ~70%. The Folin–Ciocalteu assay was used to determine the antioxidant properties of protected intermediate 21. Additionally, the five-step synthesis of betalamic acid analog 35 with three ester moieties was performed. Using NMR techniques, the stability of the obtained compounds towards oxygen was analyzed.

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/1420-3049/27/21/7423Test; https://doaj.org/toc/1420-3049Test

الوصول الحر: https://doaj.org/article/26c961918f1c47e58a1cb516957dfdd0Test

المؤلفون: Aiello, Daniele, Jonas, Hendrik, Carbone, Anna, Carbone, Daniela, Pecoraro, Camilla, Tesoriere, Luisa, Köhler, Jens, Wünsch, Bernhard, Diana, Patrizia

المساهمون: Aiello, Daniele, Jonas, Hendrik, Carbone, Anna, Carbone, Daniela, Pecoraro, Camilla, Tesoriere, Luisa, Köhler, Jen, Wünsch, Bernhard, Diana, Patrizia

مصطلحات موضوعية: (E)-(Z) configuration, Folin–Ciocalteu, Lemieux–Johnson oxidation, TEMPO oxidation, Wittig reaction, antioxidant, betalamic acid, cis/trans diastereomers, dehydrobromination, indicaxanthins, piperidin-4-ones

الوصف: Natural products are an excellent source of inspiration for the development of new drugs. Among them, betalains have been extensively studied for their antioxidant properties and potential application as natural food dyes. Herein, we describe the seven-step synthesis of new betalamic acid analogs without carboxy groups in the 2- and 6-position with an overall yield of similar to 70%. The Folin-Ciocalteu assay was used to determine the antioxidant properties of protected intermediate 21. Additionally, the five-step synthesis of betalamic acid analog 35 with three ester moieties was performed. Using NMR techniques, the stability of the obtained compounds towards oxygen was analyzed.

العلاقة: info:eu-repo/semantics/altIdentifier/wos/WOS:000882778500001; volume:27; issue:21; firstpage:7423; numberofpages:19; journal:MOLECULES; https://hdl.handle.net/10447/593738Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85141576483

الإتاحة: https://doi.org/10.3390/molecules27217423Test
https://hdl.handle.net/10447/593738Test

المؤلفون: Daniele Aiello Hendrik Jonas, Anna Carbone, Daniela Carbone, Camilla Pecoraro, Luisa Tesoriere, Jens Köhler, Bernhard Wünsch, Patrizia Diana

المساهمون: Aiello Hendrik Jonas, Daniele, Carbone, Anna, Carbone, Daniela, Pecoraro, Camilla, Tesoriere, Luisa, Köhler, Jen, Wünsch, Bernhard, Diana, Patrizia

مصطلحات موضوعية: indicaxanthins, betalamic acid, antioxidant, dehydrobromination, TEMPO oxidation, E Z configuration, piperidin 4 ones, cis trans diastereomers, Wittig reaction, Lemieux Johnson oxidation, Folin Ciocalteu

الوصف: Natural products are an excellent source of inspiration for the development of new drugs. Among them, betalains have been extensively studied for their antioxidant properties and potential application as natural food dyes. Herein, we describe the seven-step synthesis of new betalamic acid analogs without carboxy groups in the 2- and 6-position with an overall yield of ~70%. The Folin–Ciocalteu assay was used to determine the antioxidant properties of protected intermedi- ate 21. Additionally, the five-step synthesis of betalamic acid analog 35 with three ester moieties was performed. Using NMR techniques, the stability of the obtained compounds towards oxygen was analyzed.

وصف الملف: ELETTRONICO

العلاقة: volume:27; firstpage:7423; lastpage:7441; numberofpages:19; journal:MOLECULES; https://hdl.handle.net/11567/1099021Test

الإتاحة: https://hdl.handle.net/11567/1099021Test

المؤلفون: Jie Zhang (64655), Satoshi Yuzawa (1744645), Wei Li Thong (2229922), Tetsuro Shinada (1267575), Makoto Nishiyama (758947), Tomohisa Kuzuyama (1374678)

مصطلحات موضوعية: Biochemistry, Microbiology, Genetics, Developmental Biology, Infectious Diseases, Chemical Sciences not elsewhere classified, BGC, type II polyketide synthase system, Type II PKS System, biosynthetic gene cluster, biosynthetic scheme, ACP, intramolecular 6π- electrocyclization, 6 Z configuration, SANK, FAD, dialkylbenzene moiety, acyl carrier protein, dialkylbenzene moiety exhibit

الوصف: Natural products containing an o -dialkylbenzene moiety exhibit a wide variety of bioactivities, including antibacterial, antifungal, antitumor, and antiangiogenic activities. However, the biosynthetic scheme of the o -dialkylbenzene moiety remains unclear. In this study, we identified the biosynthetic gene cluster (BGC) of compounds 1 and 2 in Streptomyces sp. SANK 60404, which contains a rare o -dialkylbenzene moiety, and successfully reconstituted the biosynthesis of 1 using 22 recombinant enzymes in vitro. Our study established a biosynthetic route for the o -tolyl group within the o -dialkylbenzene moiety, where the triene intermediate 3 loaded onto a unique acyl carrier protein (ACP) is elongated by a specific ketosynthase–chain length factor pair of a type II polyketide synthase system with the aid of a putative isomerase to be termed “electrocyclase” and a thioesterase-like enzyme in the BGC. The C 2 -elongated all-trans diketo–triene intermediate is subsequently isomerized to the 6 Z configuration by the electrocyclase to allow intramolecular 6π-electrocyclization, followed by coenzyme FAD/FMN-dependent dehydrogenation. Bioinformatics analysis showed that the key genes are all conserved in BGCs of natural products containing an o -dialkylbenzene moiety, suggesting that the proposed biosynthetic scheme is a common strategy to form o -dialkylbenzenes in nature.

العلاقة: https://figshare.com/articles/journal_contribution/Reconstitution_of_a_Highly_Reducing_Type_II_PKS_System_Reveals_6_-Electrocyclization_Is_Required_for_i_o_i_Dialkylbenzene_Biosynthesis/13954936Test

الإتاحة: https://doi.org/10.1021/jacs.0c13378.s001Test

المؤلفون: Wissem Zemamouche, Rima Laroun, Noudjoud Hamdouni, Ouarda Brihi, Ali Boudjada, Abdelmadjid Debache

المصدر: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 7, Pp 926-930 (2018)

مصطلحات موضوعية: crystal structure, isoxazole, hydroxybenzylidene, Z configuration, hydrogen bonding, offset π–π interactions, Hirshfeld surface, Crystallography, QD901-999

الوصف: The title compound, C11H9NO3, contains an isoxazole and a hydroxybenzylidene ring, which are inclined to each another by 3.18 (8)°. There is an intramolecular C—H...O contact forming an S(7) ring. In the crystal, molecules stack head-to-tail in columns along the b-axis direction, linked by offset π–π interactions [intercentroid distances of 3.676 (1) and 3.723 (1) Å]. The columns are linked by O—H...O and O—H...N hydrogen bonds, forming layers parallel to the ab plane. The layers are linked by C—H...O hydrogen bonds, forming a supramolecular three-dimensional framework. An analysis of the Hirshfeld surfaces points to the importance of the O—H...O and O—H...N hydrogen bonding in the packing mechanism of the crystal structure.

وصف الملف: electronic resource

العلاقة: http://scripts.iucr.org/cgi-bin/paper?S2056989018007867Test; https://doaj.org/toc/2056-9890Test

الوصول الحر: https://doaj.org/article/c635b1c3ef4c49168c308b5ba5c28674Test

المؤلفون: Abdul Manan, Mohd Abdul Fatah, Cordes, David B., McKay, Aidan P., Mohammat, Mohd Fazli, Mohd Aluwi, Mohd Fadhlizil Fasihi, Jumali, Nor Saliyana

المصدر: Abdul Manan , M A F , Cordes , D B , McKay , A P , Mohammat , M F , Mohd Aluwi , M F F & Jumali , N S 2023 , ' (Z)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate ' , IUCrData , vol. 8 , no. 9 , x230782 . https://doi.org/10.1107/S2414314623007824Test

مصطلحات موضوعية: Crystal Structure, Dithiocarbazate, 5-methylisatin, z configuration, Hydrogen Bonding

العلاقة: https://research-portal.st-andrews.ac.uk/en/researchoutput/zbenzyl-25methyl2oxoindolin3ylidenehydrazinecarbodithioateTest(577c91db-fd62-452b-8424-1c58f33a1ee6).html

الإتاحة: https://doi.org/10.1107/S2414314623007824Test
https://research-portal.st-andrews.ac.uk/en/researchoutput/zbenzyl-25methyl2oxoindolin3ylidenehydrazinecarbodithioateTest(577c91db-fd62-452b-8424-1c58f33a1ee6).html
https://scripts.iucr.org/cgi-bin/paper?S2414314623007824Test