排序方式: 共有13条查询结果,搜索用时 15 毫秒
1.
Perković Ivana Beus Maja Schols Dominique Persoons Leentje Zorc Branka 《Molecular diversity》2022,26(1):1-14
Molecular Diversity - In this paper, we report the synthesis of novel hybrids 2–14 based on itaconic acid and fluoroaniline, pyridine, indole and quinoline scaffolds. Itaconic acid is a... 相似文献
2.
Jilloju Parameshwara Chary Persoons Leentje Kurapati Sathish Kumar Schols Dominique De Jonghe Steven Daelemans Dirk Vedula Rajeswar Rao 《Molecular diversity》2022,26(3):1357-1371
A new series of (?±)-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)(phenyl)methanones were efficiently synthesized starting from 4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol 1, acetyl acetone 2, various aromatic and heterocyclic aldehydes 3 and phenacyl bromides 4. All the newly synthesized compounds were tested for their antiviral and antitumoral activity. It was shown that subtle structural variations on the phenyl moiety allowed to tune biological properties toward antiviral or antitumoral activity. Mode-of-action studies revealed that the antitumoral activity was due to inhibition of tubulin polymerization.
Graphic abstract 相似文献3.
Eveline Vriens Dr. Dries De Ruysscher Dr. Angus N. M. Weir Dr. Sofie Dekimpe Dr. Gert Steurs Ahmed Shemy Leentje Persoons Dr. Ana Rita Santos Dr. Christopher Williams Prof. Dirk Daelemans Prof. Matthew P. Crump Prof. Arnout Voet Prof. Wim De Borggraeve Prof. Eveline Lescrinier Prof. Joleen Masschelein 《Angewandte Chemie (International ed. in English)》2023,62(34):e202304476
Bacterial trans-acyltransferase polyketide synthases (trans-AT PKSs) are modular megaenzymes that employ unusual catalytic domains to assemble diverse bioactive natural products. One such PKS is responsible for the biosynthesis of the oximidine anticancer agents, oxime-substituted benzolactone enamides that inhibit vacuolar H+-ATPases. Here, we describe the identification of the oximidine gene cluster in Pseudomonas baetica and the characterization of four novel oximidine variants, including a structurally simpler intermediate that retains potent anticancer activity. Using a combination of in vivo, in vitro and computational approaches, we experimentally elucidate the oximidine biosynthetic pathway and reveal an unprecedented mechanism for O-methyloxime formation. We show that this process involves a specialized monooxygenase and methyltransferase domain and provide insight into their activity, mechanism and specificity. Our findings expand the catalytic capabilities of trans-AT PKSs and identify potential strategies for the production of novel oximidine analogues. 相似文献
4.
Tomas Sundin Leentje Vanhamme Paul Van Hecke Ioannis Dologlou Sabine Van Huffel 《Journal of magnetic resonance (San Diego, Calif. : 1997)》1999,139(2):189
A scheme for accurate quantification of 1H spectra is presented. The method uses maximum-phase finite impulse response (FIR) filters for solvent suppression and an iterative nonlinear least-squares (NLLS) algorithm for parameter estimation. The estimation algorithm takes the filter influence on the metabolites of interest into account and can thereby correctly incorporate a large variety of prior knowledge into the estimation phase. The FIR filter is designed in such a way that no distortion of the important initial samples is introduced. The FIR filter method is compared numerically with the HSVD method for water signal removal in a number of examples. The results show that the FIR method, using an automatic filter design scheme, slightly outperforms the HSVD method in most cases. The good performance and ease of use of the FIR filter method combined with its low computational complexity motivate the use of the proposed method. 相似文献
5.
Van Durme J Demeestere K Dewulf J Ronsse F Braeckman L Pieters J Van Langenhove H 《Journal of chromatography. A》2007,1175(2):145-153
Solid-phase dynamic extraction (SPDE) belongs to the most innovative sample preparation and enrichment techniques. However, there is still a lack of knowledge on the fundamentals of SPDE and its applicability in the field of environmental monitoring. A homemade sampling device is constructed to make a detailed study of SPDE kinetics for toluene extraction. It proved that at least 50 aspirating and dispensing cycles were necessary to obtain toluene equilibration between gas and coating phase. A mechanistic model is proposed to explain that in every dispensing step during SPDE, significant losses of retained analytes (up to 48%) occur due to desorption processes. A new accelerated solid-phase dynamic extraction procedure (ASPDE) has been developed that avoids dispensing stages during extraction. The resulting extraction time proves to be 1.7 min, being a reduction by a factor of 37 compared with the SPDE extraction time. ASPDE proved to have high potential in ambient/indoor air monitoring. The limit of detection for toluene was determined to be 56 ppb(v), i.e. a factor of respectively, 6 and 35 lower than obtained with SPME and conventional headspace sampling with gas syringe. 相似文献
6.
Beus Maja Persoons Leentje Daelemans Dirk Schols Dominique Savijoki Kirsi Varmanen Pekka Yli-Kauhaluoma Jari Pavić Kristina Zorc Branka 《Molecular diversity》2022,26(5):2595-2612
Molecular Diversity - In the present study, we report the design and synthesis of novel amide-type hybrid molecules based on anthranilic acid and quinoline or β-carboline heterocyclic... 相似文献
7.
Leentje Vanhamme Ricardo D. Fierro Sabine Van Huffel Ron de Beer 《Journal of magnetic resonance (San Diego, Calif. : 1997)》1998,132(2):197-203
Quantification of metabolites in1H spectra is difficult because of the presence of an unwanted water signal. Preprocessing, or removing the water contribution of a1H spectrum, in the time domain is usually done using the state-space approach HSVD. HSVD removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. However, the HSVD algorithm is computationally expensive because it estimates the signal subspace using the singular value decomposition (SVD). We show here that replacing the SVD by a low-rank revealing decomposition speeds up the computations without affecting the accuracy of the wanted parameter estimates. 相似文献
8.
Frequency-domain method based on the singular value decomposition for frequency-selective NMR spectroscopy 总被引:1,自引:0,他引:1
Stoica P Sandgren N Selén Y Vanhamme L Van Huffel S 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2003,165(1):80-88
In several applications of NMR spectroscopy the user is interested only in the components lying in a small frequency band of the spectrum. A frequency selective analysis deals precisely with this kind of NMR spectroscopy: parameter estimation of only those spectroscopic components that lie in a preselected frequency band of the NMR data spectrum, with as little interference as possible from the out-of-band components and in a computationally efficient way. In this paper we introduce a frequency-domain singular value decomposition (SVD)-based method for frequency selective spectroscopy that is computationally simple, statistically accurate, and which has a firm theoretical basis. To illustrate the good performance of the proposed method we present a number of numerical examples for both simulated and in vitro NMR data. 相似文献
9.
Lemmerling P Vanhamme L Romano R Van Huffel S 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2002,157(2):190-199
Recently, two methods have been proposed for quantitatively comparing NMR spectra of control and treated samples, in order to examine the possible occurring variations in cell metabolism and/or structure in response to numerous physical, chemical, and biological agents. These methods are the maximum superposition normalization algorithm (MaSNAl) and the minimum rank normalization algorithm (MiRaNAl). In this paper a new subspace-based time-domain normalization algorithm, denoted by SuTdNAl (subspace time-domain normalization algorithm), is presented. By the determination of the intersection of the column spaces of two Hankel matrices, the common signal poles and further on the components having proportionally varying amplitudes are detected. The method has the advantage that it is computationally less intensive than the MaSNAl and the MiRaNAl. Furthermore, no approximate estimate of the normalization factor is required. The algorithm was tested by Monte Carlo simulations on a set of simulation signals. It was shown that the SuTdNAl has a statistical performance similar to that of the MiRaNAl, which itself is an improvement over the MaSNAl. Furthermore, two samples of known contents are compared with the MiRaNAl, the SuTdNAl, and an older method using a standard. Finally, the SuTdNAl is tested on a realistic simulation example derived from an in vitro measurement on cells. 相似文献
10.
Elena Pruteanu Vladilena Gîrbu Nicon Ungur Leentje Persoons Dirk Daelemans Philippe Renaud Veaceslav Kulciki 《Molecules (Basel, Switzerland)》2021,26(15)
A convenient strategy for molecular editing of available ent-kauranic natural scaffolds has been developed based on radical mediated C–C bond formation. Iodine atom transfer radical addition (ATRA) followed by rapid ionic elimination and radical azidoalkylation were investigated. Both reactions involve radical addition to the exo-methylenic double bond of the parent substrate. Easy transformations of the obtained adducts lead to extended diterpenes of broad structural diversity and artificial diterpene-alkaloid hybrids possessing lactam and pyrrolidine pharmacophores. The cytotoxicity of selected diterpenic derivatives was examined by in vitro testing on several tumor cell lines. The terpene-alkaloid hybrids containing N-heterocycles with unprecedented spiro-junction have shown relevant cytotoxicity and promising selectivity indexes. These results represent a solid basis for following research on the synthesis of such derivatives based on available natural product templates. 相似文献