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61.
Prof. Dr. Lena Keller Dr. Emilia Oueis Dr. Amninder Kaur Dr. Nasim Safaei Dr. Susanne H. Kirsch Dr. Antonia P. Gunesch Dr. Sibylle Haid Dr. Ulfert Rand Prof. Dr. Luka Čičin-Šain Dr. Chengzhang Fu PD Dr. Joachim Wink Prof. Dr. Thomas Pietschmann Prof. Dr. Rolf Müller 《Angewandte Chemie (International ed. in English)》2023,62(6):e202214595
A new family of highly unusual sesquarterpenoids (persicamidines A–E) exhibiting significant antiviral activity was isolated from a newly discovered actinobacterial strain, Kibdelosporangium persicum sp. nov., collected from a hot desert in Iran. Extensive NMR analysis unraveled a hexacyclic terpenoid molecule with a modified sugar moiety on one side and a highly unusual isourea moiety fused to the terpenoid structure. The structures of the five analogues differed only in the aminoalkyl side chain attached to the isourea moiety. Persicamidines A–E showed potent activity against hCoV-229E and SARS-CoV-2 viruses in the nanomolar range together with very good selectivity indices, making persicamidines promising as starting points for drug development. 相似文献
62.
The novel α‐aminophosphonic acids with hydantoin structure have been synthesized reacting 5,5‐dimetylhydantoin with formaldehyde and phosphorus trichloride, or via Kabachnik–Fields reaction. Their structures were proved by means of IR, 1H, 13C{1H}, and 31P NMR spectroscopy. © 2009 Wiley Periodicals, Inc. Heteroatom Chem 20:87–90, 2009; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20515 相似文献
63.
Role of compositional changes on thermal,magnetic, and mechanical properties of Fe-P-C-based amorphous alloys 下载免费PDF全文
Indah Raya Supat Chupradit Mustafa M Kadhim Mustafa Z Mahmoud Abduladheem Turki Jalil Aravindhan Surendar Sukaina Tuama Ghafel Yasser Fakri Mustafa Alexander N Bochvar 《中国物理 B》2022,31(1):16401-016401
This work aimed to tune the comprehensive properties of Fe-P-C-based amorphous system through investigating the role of microalloying process on the crystallization behavior,glass forming ability(GFA),soft magnetic features,and mechanical properties.Considering minor addition of elements into the system,it was found that the simultaneous microalloying of Ni and Co leads to the highest GFA,which was due to the optimization of compositional heterogeneity and creation of near-eutectic composition.Moreover,the FeCoNiCuPC amorphous alloy exhibited the best anelastic/viscoplastic behavior under the nanoindentation test,which was owing to the intensified structural fluctuations in the system.However,the improved plasticity by the extra Cu addition comes at the expense of magnetic properties,so that the saturation magnetization of this alloying system is significantly decreased compared to the FeCoPC amorphous alloy with the highest soft magnetic properties.In total,the results indicated that a combination of added elemental constitutes,i.e.,Fe69Co5Ni5Cu1P13C7 composition,provides an optimized state for the comprehensive properties in the alloying system. 相似文献
64.
Journal of Solid State Electrochemistry - Electrochemical nucleation and growth of three-dimensional spherical clusters on a foreign substrate are considered in case of multi- and single-step ions... 相似文献
65.
A comprehensive overview on methods applied for syntheses of β-amino-α-trifluoromethyl alcohols, including stereocontrolled variants, is presented. In addition, reported cases of the exploration of β-amino-α-trifluoromethyl alcohols for the preparation of trifluoromethylated peptidomimetics and other biologically active, fluorinated compounds are discussed. Attractive opportunities for their applications as organocatalysts are also presented. 相似文献
66.
The determination of methylmercury (MeHg) in sediment samples is a difficult task due to the extremely low MeHg/THg (total mercury) ratio and species interconversion. Here, we present the method validation of a cost-effective fit-for-purpose analytical procedure for the measurement of MeHg in sediments, which is based on aqueous phase ethylation, followed by purge and trap and hyphenated gas chromatography–pyrolysis–atomic fluorescence spectrometry (GC–Py–AFS) separation and detection. Four different extraction techniques, namely acid and alkaline leaching followed by solvent extraction and evaporation, microwave-assisted extraction with 2-mercaptoethanol, and acid leaching, solvent extraction and back extraction into sodium thiosulfate, were examined regarding their potential to selectively extract MeHg from estuarine sediment IAEA-405 certified reference material (CRM). The procedure based on acid leaching with HNO3/CuSO4, solvent extraction and back extraction into Na2S2O3 yielded the highest extraction recovery, i.e., 94 ± 3% and offered the possibility to perform the extraction of a large number of samples in a short time, by eliminating the evaporation step. The artifact formation of MeHg was evaluated by high performance liquid chromatography coupled to inductively coupled plasma mass spectrometry (HPLC–ICP–MS), using isotopically enriched Me201Hg and 202Hg and it was found to be nonexistent. A full validation approach in line with ISO 17025 and Eurachem guidelines was followed. With this in mind, blanks, selectivity, working range (1–800 pg), linearity (0.9995), recovery (94–96%), repeatability (3%), intermediate precision (4%), limit of detection (0.45 pg) and limit of quantification (0.85 pg) were systematically assessed with CRM IAEA-405. The uncertainty budget was calculated and the major contribution to the combined uncertainty (16.24%, k = 2) was found to arise from the uncertainty associated with recovery (74.1%). Demonstration of traceability of measurement results is also presented. The validated measurement procedure was applied to the determination of MeHg incurred in sediments from a highly polluted and scarcely studied area in the Caribbean region. 相似文献
67.
Mechanism of Thyroxine Deiodination by Naphthyl‐Based Iodothyronine Deiodinase Mimics and the Halogen Bonding Role: A DFT Investigation 下载免费PDF全文
Mariagrazia Fortino Prof. Dr. Tiziana Marino Prof. Nino Russo Prof. Dr. Emilia Sicilia 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(23):8554-8560
This paper deals with a systematic density functional theory (DFT) study aiming to unravel the mechanism of the thyroxine (T4) conversion into 3,3′,5‐triiodothyronine (rT3) by using different bio‐inspired naphthyl‐based models, which are able to reproduce the catalytic functions of the type‐3 deiodinase ID‐3. Such naphthalenes, having two selenols, two thiols, and a selenol–thiol pair in peri positions, which were previously synthesized and tested in their deiodinase activity, are able to remove iodine selectively from the inner ring of T4 to produce rT3. Calculations were performed including also an imidazole ring that, mimicking the role of the His residue, plays an essential role deprotonating the selenol/thiol moiety. For all the used complexes, the calculated potential energy surfaces show that the reaction proceeds via an intermediate, characterized by the presence of a X?I?C (X=Se, S) halogen bond, whose transformation into a subsequent intermediate in which the C?I bond is definitively cleaved and the incipient X?I bond is formed represents the rate‐determining step of the whole process. The calculated trend in the barrier heights of the corresponding transition states allows us to rationalize the experimentally observed superior deiodinase activity of the naphthyl‐based compound with two selenol groups. The role of the peri interactions between chalcogen atoms appears to be less prominent in determining the deiodination activity. 相似文献
68.
Michael addition reactions of aldehyde to β-nitrostyrene catalyzed by L-proline were investigated by using controlled, monomode microwave-assisted technique in a closed vessel system. Ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim]NTf2) was used as the reaction medium to replace the commonly used volatile organic solvents and as a good absorbing solvent during Michael reaction under the influence of microwave irradiation. The Michael product is clean and generates good yields in short reaction times with moderate results on enantioselectivity (ee). In this work, optimization of proline-catalyzed Michael reaction was carried out using response surface methodology (RSM) based on a three-factor-three-level central composite design (CCD). Various reaction parameters including catalyst loading (5–30 mol%), reaction time (5–40 min), and substrate (2–5 equivalent ratio) were investigated. A high Michael yield (96.5%) with 36.9 ee% was obtained at the optimum conditions of 10.0 mol% catalyst loading, 5.0 min reaction time, and 2.0 substrate equivalent ratio.
[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.] 相似文献
69.
70.
The reaction of S-nitrosocaptopril (NOcap) formation was studied in both aqueous acid and basic medium. Captopril (cap) reacts rapidly with nitrous acid in strong acid medium to give the stable--in the timescale of the experiments--NOcap. The kinetic study of the reaction involving the use of stopped-flow, shows that at low sodium nitrite (nit) concentration, the reaction is first-order in both [nit], [H(+)], and is strongly catalysed by Cl(-) or Br(-) (= X(-)): rate = (k(3) + k(4)[X(-)])[H(+)][nit][cap]. In aqueous buffered solution of acetic acid-acetate the reaction rate is much slower and the decomposition of NOcap was observed; however, the rate of NOcap decay is more than 30-fold slower than its formation. In aqueous basic medium of carbonate-hydrogen carbonate buffer, as well as in alkaline medium, the kinetics of the nitroso group (NO) transfer from tert-butyl nitrite (tBN) to cap was studied using either conventional or stopped flow methods. In mild basic medium, the NOcap decomposes. The NOcap formation is first-order in both tBN and cap concentrations, and the reaction rate increases with pH until to, approximately, pH 11.5, above which value it becomes pH independent or even invariable with the [OH(-)]. Kinetic results show that the thiolate ion of cap is the reactive species. In fact, the presence of anionic micelles of sodium dodecyl sulfate (SDS) inhibits the reaction due to the separation of the reagents; whereas, cationic micelles of tetradecyltrimethylammonium bromide (TTABr) catalyse the reaction at low surfactant concentration due to reagents concentration in the small volume of the micelle. The rate equation is: rate = k(f) K(SH)[cap][tBN]/(K(SH) + [H(+)]). The rate of NOcap decomposition in mild basic medium is first-order in both [cap] and [NOcap], and decreases on increasing pH; but, in alkaline medium the NOcap is stable within the timescale of the experiments. Based on the results, the NOcap decomposition yields the disulfide compound that is formed in the nucleophilic attack of the -SH group of cap to the sulfur electrophilic center of NOcap, -S-N=O. The resulting rate equation is: rate = k(d)[H(+)][cap][NOcap]/(K(SH) + [H(+)]). 相似文献