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101.
Dr. Markella Konstantinidou Francesca Magari Fandi Sutanto Dr. Jörg Haupenthal Dr. Varsha R. Jumde Dr. M. Yagiz Ünver Prof. Dr. Andreas Heine Dr. Carlos Jamie Camacho Prof. Dr. Anna K. H. Hirsch Prof. Dr. Gerhard Klebe Prof. Dr. Alexander Dömling 《ChemMedChem》2020,15(8):680-684
Pharmacophore searches that include anchors, fragments contributing above average to receptor binding, combined with one-step syntheses are a powerful approach for the fast discovery of novel bioactive molecules. Here, we are presenting a pipeline for the rapid and efficient discovery of aspartyl protease inhibitors. First, we hypothesized that hydrazine could be a multi-valent warhead to interact with the active site Asp carboxylic acids. We incorporated the hydrazine anchor in a multicomponent reaction and created a large virtual library of hydrazine derivatives synthetically accessible in one-step. Next, we performed anchor-based pharmacophore screening of the libraries and resynthesized top-ranked compounds. The inhibitory potency of the molecules was finally assessed by an enzyme activity assay and the binding mode confirmed by several soaked crystal structures supporting the validity of the hypothesis and approach. The herein reported pipeline of tools will be of general value for the rapid generation of receptor binders beyond Asp proteases. 相似文献
102.
In solution, amphoteric compounds exist in anionic, uncharged, zwitterionic and cationic forms. The importance of zwitterionic drugs is currently under-represented in the literature. Herein, the acid-base parameters, lipophilicity and solubility of such compounds are discussed to deepen the molecular-level understanding of their pharmacokinetic and pharmacodynamic behaviour. Our recent studies show there are many drug molecules, including thyroid hormones and 5-hydroxytryptophan, the precursor of the neurotransmitter serotonin, for which the contribution of the zwitterionic microspecies to the overall lipophilicity exceeds that of the uncharged one, which is of higher individual lipophilicity, but occurs in much lower concentration. The second part of the minireview highlights the most important zwitterionic compounds in therapy, grouped into therapeutic classes. The importance of the charge of the molecules is emphasized in their binding to the target molecules. 相似文献
103.
Ximei Zhao Matthias Rudolph Abdullah M. Asiri A. Stephen K. Hashmi 《Frontiers of Chemical Science and Engineering》2020,14(3):317
This review summarizes recent advances in the field of gold-catalyzed synthesis of pharmaceutically relevant aza-heterocycles via in situ generated α-imino gold carbene complexes as intermediates. 相似文献
104.
Jie Hong Chiang Allan K. Hardacre Michael E. Parker 《International Journal of Food Science & Technology》2020,55(2):649-659
This study investigated the effects of moisture content (MC) on the physicochemical properties of extruded meat alternatives made from Maillard-reacted beef bone hydrolysate and plant proteins. Samples were extruded at 170 °C (maximum barrel temperature), at 3.6 kg h−1 (liquid feed rate) and at 1.8, 2.2, 2.6 and 3.0 kg h−1 (dry feed rates) to obtain MC of 60%MC, 56%MC, 52%MC and 49%MC, respectively. Meat alternatives at 52%MC showed the greatest degree of texturisation. However, meat alternatives at 49%MC were the closest in terms of both textural and microstructural properties to reference sample, boiled chicken breast. Results from protein solubility suggested that a large amount of aggregated proteins were associated with hydrogen bonds, while disulphide bonds were the main contributor in the formation of fibrous structure in meat alternatives. Results showed that the change in MC as process parameter played an important role in the formation of fibrous structure in extruded meat alternatives. 相似文献
105.
Study of the surfactant role in latex–aerogel systems by scanning transmission electron microscopy on aqueous suspensions 下载免费PDF全文
For insulation applications, boards thinner than 2 cm are under design with specific thermal conductivities lower than 15 mW m?1 K?1. This requires binding slightly hydrophobic aerogels which are highly nanoporous granular materials. To reach this step and ensure insulation board durability at the building scale, it is compulsory to design, characterise and analyse the microstructure at the nanoscale. It is indeed necessary to understand how the solid material is formed from a liquid suspension. This issue is addressed in this paper through wet‐STEM experiments carried out in an Environmental Scanning Electron Microscope (ESEM). Latex–surfactant binary blends and latex–surfactant–aerogel ternary systems are studied, with two different surfactants of very different chemical structures. Image analysis is used to distinguish the different components and get quantitative morphological parameters which describe the sample architecture. The evolution of such morphological parameters during water evaporation permits a good understanding of the role of the surfactant. 相似文献
106.
Herbert Wiggenhauser Christian Köpp Juri Timofeev Hoda Azari 《Journal of Nondestructive Evaluation》2018,37(3):67
The non-destructive assessment of cracks in concrete is a common task for which non-destructive evaluation solutions have been published. Primarily, these tests have been carried out on artificial cracks that have been created by using notches instead of natural cracks. This study evaluates a procedure designed to create reproducible and controlled cracks in concrete. The procedure is based on using expanding mortar in a series of blind holes. This is done in combination with carefully aligned reinforcement to guide the direction of the crack development. The depth of the crack is also controlled by reinforcement. Crack depth varies statistically in the range of the maximum aggregate size (16 mm) used for concrete. 相似文献
107.
Bovine leukemia virus (BLV) is widely prevalent in Japanese dairy farms. To control BLV infections in Japan, segregating or managing cows according to their proviral load (PVL) is a rational strategy. This study was conducted to establish a quantitative procedure for estimating blood PVL per microliter using a statistical model to offer a cost-effective alternative to the conventional quantitative real-time PCR method. In total, 250 Holstein cows infected with BLV were identified from 10 commercial dairy farms. Information on age was collected and blood samples were tested for white blood cell and lymphocyte counts and PVL using PCR. Generalized linear models with quasi-Poisson errors were used to estimate PVL by selecting age, logarithm of lymphocyte count, and their interaction term as explanatory variables. To evaluate the model, blood samples of 92 BLV-infected Holstein cows from 2 other commercial dairy farms were tested, and measured PVL values were compared with estimated PVL values by the model. The logPVL per microliter was modeled by positive associations with log lymphocyte count and age and a negative association with the interaction term. In the evaluation, measured PVL values had a strong correlation with estimated PVL values (Spearman's ρ = 0.87). In conclusion, our model provides a cost-effective and more rapid alternative to the conventional method to facilitate test and segregation or management of BLV-suspected cows. 相似文献
108.
109.
In this work, we report the development of MnO2/F-MWCNT/Ta hybrid nanocomposite sensor with different MnO2 overlayer thickness for the detection of H2O2 in real samples. A novel two-step process using e-beam evaporation and spray pyrolysis deposition was adopted for the synthesis of hybrid MnO2/F-MWCNT/Ta electrodes. SE morphology revealed smaller-sized, compact grains of MnO2 infiltrated on the outermost walls of MWCNTs. Raman analysis confirmed the existence of carbon nanotubes with abundant structural defects of MnO2 in the composite. The cyclic voltammetry results displayed a high peak current and narrowed over potential towards the reduction of H2O2. The sensor displayed a fast response (<5?s), wide linear range (2–1510?μM) and a low limit of detection (0.04?μM) with significant anti-interfering properties, promising for the development of highly sensitive and reproducible biosensors. The three dimensional nanocomposite sensor also exhibited good recovery (> 98%), thus providing a favourable tool for analysis of H2O2 in milk samples. 相似文献
110.
Bhupendra Singh Nitika Devi Lakshya Mathur Rajesh K. Singh Aman Bhardwaj Sun-Ju Song Dirk Henkensmeier 《Ceramics International》2018,44(6):6170-6175
In the present work, we report a method of fabrication of dense 10 mol% Mg2+-doped cerium pyrophosphate-phosphate (Ce0.9Mg0.1P2O7-PmOn; CMP-P) composites by microwave heat-treatment of the preformed Ce0.9Mg0.1P2O7 substrates in the presence of phosphoric acid. The composite was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and electrochemical impedance spectroscopy (EIS). The microwave heating at 375 °C for 5 min resulted in the formation of dense CMP-P composites which retained most of the pyrophosphate phase. The electrical conductivity was extracted from the EIS data and for the CMP-P composite prepared by H3PO4 loading for 10 h and microwave heat-treatment for 5 min it was found to be >10?2 S m?1 in 100–250 °C range with a maximum of 0.062 S cm?1 at 190 °C, which was significant for its application as electrolyte in intermediate temperature fuel cells. 相似文献