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1.
Cover Picture: Coordination Chemistry of N‐Heterocyclic Nitrenium‐Based Ligands (Chem. Eur. J. 19/2015) 下载免费PDF全文
2.
Ahmed M. Assaf 《组合设计杂志》1993,1(6):453-458
A (v, k. λ) covering design of order v, block size k, and index λ is a collection of k-element subsets, called blocks, of a set V such that every 2-subset of V occurs in at least λ blocks. The covering problem is to determine the minimum number of blocks, α(v, k, λ), in a covering design. It is well known that $ \alpha \left({\nu,\kappa,\lambda } \right) \ge \left\lceil {\frac{\nu}{\kappa}\left\lceil {\frac{{\nu - 1}}{{\kappa - 1}}\lambda} \right\rceil} \right\rceil = \phi \left({\nu,\kappa,\lambda} \right) $, where [χ] is the smallest integer satisfying χ ≤ χ. It is shown here that α (v, 5, λ) = ?(v, 5, λ) + ? where λ ≡ 0 (mod 4) and e= 1 if λ (v?1)≡ 0(mod 4) and λv (v?1)/4 ≡ ?1 (mod 5) and e= 0 otherwise With the possible exception of (v,λ) = (28, 4). © 1993 John Wiley & Sons, Inc. 相似文献
3.
Assaf Rinot 《Mathematical Logic Quarterly》2019,65(2):200-204
We present a weak sufficient condition for the existence of Souslin trees at successor of regular cardinals. The result is optimal and simultaneously improves an old theorem of Gregory and a more recent theorem of the author. 相似文献
4.
Mohamed E. Abouelela Hamdy K. Assaf Reda A. Abdelhamid Ehab S. Elkhyat Ahmed M. Sayed Tomasz Oszako Lassaad Belbahri Ahmed E. El Zowalaty Mohamed Salaheldin A. Abdelkader 《Molecules (Basel, Switzerland)》2021,26(6)
Severe acute respiratory syndrome coronavirus (SARS-CoV-2) disease is a global rapidly spreading virus showing very high rates of complications and mortality. Till now, there is no effective specific treatment for the disease. Aloe is a rich source of isolated phytoconstituents that have an enormous range of biological activities. Since there are no available experimental techniques to examine these compounds for antiviral activity against SARS-CoV-2, we employed an in silico approach involving molecular docking, dynamics simulation, and binding free energy calculation using SARS-CoV-2 essential proteins as main protease and spike protein to identify lead compounds from Aloe that may help in novel drug discovery. Results retrieved from docking and molecular dynamics simulation suggested a number of promising inhibitors from Aloe. Root mean square deviation (RMSD) and root mean square fluctuation (RMSF) calculations indicated that compounds 132, 134, and 159 were the best scoring compounds against main protease, while compounds 115, 120, and 131 were the best scoring ones against spike glycoprotein. Compounds 120 and 131 were able to achieve significant stability and binding free energies during molecular dynamics simulation. In addition, the highest scoring compounds were investigated for their pharmacokinetic properties and drug-likeness. The Aloe compounds are promising active phytoconstituents for drug development for SARS-CoV-2. 相似文献
5.
Na'il Saleh Marieh B. Al‐Handawi Muna S. Bufaroosha Khaleel I. Assaf Werner M. Nau 《Journal of Physical Organic Chemistry》2016,29(2):101-106
The formation of host–guest complexes of cucurbit[7]uril (CB7) with the antihistamine drug tripelennamine (TRP) was studied by optical and NMR spectroscopy. The experimental and computational results are consistent with inclusion of a single TRP molecule in CB7. Addition of CB7 has tuned drug protonation states associated with (de)protonation of the ethyldimethylammonium and exocyclic nitrogens with an increase in the associated pKa values by 1.5 and 2.5 units, respectively. The incorporation of antihistamines drugs such as TRP in cucurbiturils could be utilized for switching their capability for selective binding to histamine H1‐receptors, in the future. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
6.
Dr. Koushik Chandra Dr. Tapta Kanchan Roy Dr. Deborah E. Shalev Prof. Abraham Loyter Prof. Chaim Gilon Prof. R. Benny Gerber Prof. Assaf Friedler 《Angewandte Chemie (International ed. in English)》2014,53(36):9450-9455
We present a new approach for peptide cyclization during solid phase synthesis under highly acidic conditions. Our approach involves simultaneous in situ deprotection, cyclization and trifluoroacetic acid (TFA) cleavage of the peptide, which is achieved by forming an amide bond between a lysine side chain and a succinic acid linker at the peptide N‐terminus. The reaction proceeds via a highly active succinimide intermediate, which was isolated and characterized. The structure of a model cyclic peptide was solved by NMR spectroscopy. Theoretical calculations support the proposed mechanism of cyclization. Our new methodology is applicable for the formation of macrocycles in solid‐phase synthesis of peptides and organic molecules. 相似文献
7.
Shane M. Hickey Shani K. Tripcony Rui Li Richard J. Williams 《Supramolecular chemistry》2015,27(5-6):425-435
Using the rigid norbornane scaffold, a series of low-molecular-weight organogelators has been synthesised and evaluated. Three separate compounds (16, 19 and 20) were identified as organogelators in three aromatic organic solvents (PhMe, anisole and o-xylene). The formation of fibrillar assemblies at nanometre level was confirmed using atomic force microscopy and transmission electron microscopy. 相似文献
8.
The chemical behavior and some physical properties (dipole moment, IR. vs. Raman spectra) of the titled compound are not fully consistent with a strictly centrosymmetric structure which might be expected for the anti configuration. The carbonyl groups are less reactive toward nucleophilic reagents and sp2 → sp3 transformations as compared to cyclopentanone systems. 相似文献
9.
Let be a simplicial model category and J : a simplicial coaugmented functor. Given an object X, the assignment nJn+1X defines a cofacial resolution (an augmented cosimplicial space without its codegeneracy maps). Following Bousfield and Kan we define JsX = tots([n] Jn+1X). An object X is called J-injective if it is a retract of JX in Ho() via the natural map. We show that certain homotopy limits of J-injective objects are Js-injective. Our method is to use the notion of pro-weak equivalences which was first introduced in a different language and context by David Edwards and Harold Hastings. The key observation is that a cofacial resolution X (-1) X which admits a left contraction gives rise to a pro-weak equivalence of towers {X(-1)}s0{totSX}s 0.The first author was supported in part by National Science Foundation grant DMS-0296117 相似文献
10.
Shani Smith Charles GiesekerRenate Reimschuessel Christie-Sue DeckerMary C. Carson 《Journal of chromatography. A》2009,1216(46):8224-8232
LC-ion trap mass spectrometry was used to screen and confirm 38 compounds from a variety of drug classes in four species of fish: trout, salmon, catfish, and tilapia. Samples were extracted with acetonitrile and hexane. The acetonitrile phase was evaporated, redissolved in water and acetonitrile, and analyzed by gradient chromatography on a phenyl column. MS2 or MS3 spectra were monitored for each compound. Qualitative method performance was evaluated by the analysis over several days of replicate samples of control fish, fish fortified with a drug mixture at 1 ppm, 0.1 ppm and 0.01 ppm, and fish dosed with a representative from each drug class. Half of the 38 drugs were confirmed at 0.01 ppm, the lowest fortification level. This included all of the quinolones and fluoroquinolones, the macrolides, malachite green, and most of the imidazoles. Florfenicol amine, metronidazole, sulfonamides, tetracyclines, and most of the betalactams were confirmed at 0.1 ppm. Ivermectin and penicillin G were only detectable in the 1 ppm fortified samples. With the exception of amoxicillin, emamectin, metronidazole, and tylosin, residue presence was confirmed in all the dosed fish. 相似文献