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101.
Kiho Lee Ji-Yoon Lee Kyeong Lee Cho-Rock Jung Min-Ju Kim Jung-Ah Kim Dong-Gu Yoo Eun-Jin Shin Soo-Jin Oh 《Molecules (Basel, Switzerland)》2021,26(7)
A novel HIF (hypoxia-inducible factor)-1α inhibitor, the (aryloxyacetylamino)benzoic acid derivative LW6, is an anticancer agent that inhibits the accumulation of HIF-1α. The aim of this study was to characterize and determine the structures of the metabolites of LW6 in ICR mice. Metabolite identification was performed using a predictive multiple reaction monitoring-information dependent acquisition-enhanced product ion (pMRM-IDA-EPI) method in negative ion mode on a hybrid triple quadrupole-linear ion trap mass spectrometer (QTRAP). A total of 12 metabolites were characterized based on their MS/MS spectra, and the retention times were compared with those of the parent compound. The metabolites were divided into five structural classes based on biotransformation reactions: amide hydrolysis, ester hydrolysis, mono-oxidation, glucuronidation, and a combination of these reactions. From this study, 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetic acid (APA, M7), the metabolite produced via amide hydrolysis, was found to be a major circulating metabolite of LW6 in mice. The results of this study can be used to improve the pharmacokinetic profile by lowering the clearance and increasing the exposure relative to LW6. 相似文献
102.
Bassam M. Ayoub Haidy E. Michel Shereen Mowaka Moataz S. Hendy Mariam M. Tadros 《Molecules (Basel, Switzerland)》2021,26(4)
The authors in the current work suggested the potential repurposing of omarigliptin (OMR) for neurodegenerative diseases based on three new findings that support the preliminary finding of crossing BBB after a single dose study in the literature. The first finding is the positive results of the docking study with the crystal structures of A2A adenosine (A2AAR) and acetylcholine esterase (AChE) receptors. A2AAR is a member of non-dopaminergic GPCR superfamily receptor proteins and has essential role in regulation of glutamate and dopamine release in Parkinson’s disease while AChE plays a major role in Alzheimer’s disease as the primary enzyme responsible for the hydrolytic metabolism of the neurotransmitter acetylcholine into choline and acetate. Docking showed that OMR perfectly fits into A2AAR binding pocket forming a distinctive hydrogen bond with Threonine 256. Besides other non-polar interactions inside the pocket suggesting the future of the marketed anti-diabetic drug (that cross BBB) as a potential antiparkinsonian agent while OMR showed perfect fit inside AChE receptor binding site smoothly because of its optimum length and the two fluorine atoms that enables quite lean fitting. Moreover, a computational comparative study of OMR docking, other 12 DPP-4 inhibitors and 11 SGLT-2 inhibitors was carried out. Secondly, glucagon-like peptide-1 (GLP-1) concentration in rats’ brain tissue was determined by the authors using sandwich GLP-1 ELISA kit bio-analysis to ensure the effect of OMR after the multiple doses’ study. Brain GLP-1 concentration was elevated by 1.9-fold following oral multiple doses of OMR (5 mg/kg/day, p.o. for 28 days) as compared to the control group. The third finding is the enhanced BBB crossing of OMR after 28 days of multiple doses that had been studied using LC-MS/MS method with enhanced liquid–liquid extraction. A modified LC-MS/MS method was established for bioassay of OMR in rats’ plasma (10–3100 ng/mL) and rats’ brain tissue (15–2900 ng/mL) using liquid–liquid extraction. Alogliptin (ALP) was chosen as an internal standard (IS) due to its LogP value of 1.1, which is very close to the LogP of OMR. Extraction of OMR from samples of both rats’ plasma and rats’ brain tissue was effectively achieved with ethyl acetate as the extracting solvent after adding 1N sodium carbonate to enhance the drug migration, while choosing acetonitrile to be the diluent solvent for the IS to effectively decrease any emulsion between the layers in the stated method of extraction. Validation results were all pleasing including good stability studies with bias of value below 20%. Concentration of OMR in rats’ plasma were determined after 2 h of the latest dose from 28 days multiple doses, p.o, 5 mg/kg/day. It was found to be 1295.66 ± 684.63 ng/mL estimated from the bio-analysis regression equation. OMR passed through the BBB following oral administration and exhibited concentration of 543.56 ± 344.15 ng/g in brain tissue, taking in consideration the dilution factor of 10. The brain/plasma concentration ratio of 0.42 (543.56/1295.66) was used to illustrate the penetration power through the BBB after the multiple doses for 28 days. Results showed that OMR passed through the BBB more effectively in the multiple dose study as compared to the previously published single dose study by the authors. Thus, the present study suggests potential repositioning of OMR as antiparkinsonian agent that will be of interest for researchers interested in neurodegenerative diseases. 相似文献
103.
A spectrum sharing system with primary and secondary nodes, each equipped with an arbitrary number of antennas, is investigated. Particularly, the outage performance of an underlay cognitive system is analytically studied, in the case when the end-to-end () communication is established via an intermediate relay node. To better enhance the communication, successive interference cancellation (SIC) is adopted, which compensates for both the transmission power constraint and the presence of interference from primary nodes. Both the relay and secondary receiver perform unordered SIC to successively decode the multiple streams, whereas the decode-and-forward relaying protocol is used for the communication. New closed-form expressions for the outage performance of each transmitted stream are derived in terms of finite sum series of the Tricomi confluent hypergeometric function. In addition, simplified yet tight approximations for the asymptotic outage performance are obtained. Useful engineering insights are manifested, such as the diversity order of the considered system and the impact of interference from the primary nodes in conjunction with the constrained transmission power of the secondary nodes. 相似文献
104.
MODELING HARVEST SCHEDULING IN MULTIFUNCTIONAL PLANNING OF FORESTS FOR LONGTERM WATER YIELD OPTIMIZATION 下载免费PDF全文
HAYATI ZENGIN ÜNAL ASAN SINAN DESTAN MURAT ENGIN ÜNAL AHMET YEŞIL PETE BETTINGER AHMET SALIH DEĞERMENCI 《Natural Resource Modeling》2015,28(1):59-85
In this study, wood production and hydrologic functions of forests were accommodated within a planning procedure for separate working circles (areas dedicated to certain forest functions) that were delineated according to an Ecosystem‐Based Functional Planning approach. Mixed integer goal programming was used as the optimization technique. The timing and scheduling of a maintenance cutting (partial harvest) was the decision variable in the modeling effort, and an original formulation was developed as a multiobjective planning procedure. Four sample planning strategies were developed and model outputs were evaluated according to these strategies. Spatial characteristics of stands were considered, and used to prohibit the regeneration of adjacent stands during the same time period. Because of the positive relationship between qualified water production and standing timber volume in the forest, the model attempts to maximize qualified water production levels by increasing standing volume stocks in the forest through the delay of regeneration activities. 相似文献
105.
This paper presents the theoretical analysis of adaptive multiuser RAKE receiver scheme in frequency selective fading channel for direct-sequence code division multiple access (DS-CDMA) system. Least mean square (LMS) algorithm is used to estimate the channel coefficients. Chaotic sequences are used as spreading sequence and corresponding bit error rate (BER) in closed form is derived for imperfect channel estimation conditions. Performances of chaotic sequences are compared with pseudorandom noise (PN) sequences. Under perfect synchronization assumption, various simulation results are shown to investigate the performance of the proposed system. 相似文献
106.
Experimental and Theoretical Studies on Arene‐Bridged Metal–Metal‐Bonded Dimolybdenum Complexes 下载免费PDF全文
Dr. Mario Carrasco Natalia Curado Dr. Eleuterio Álvarez Dr. Celia Maya Dr. Riccardo Peloso Prof. Dr. Manuel L. Poveda Dr. Amor Rodríguez Prof. Dr. Eliseo Ruiz Prof. Dr. Santiago Álvarez Prof. Dr. Ernesto Carmona 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(20):6092-6102
The bis(hydride) dimolybdenum complex, [Mo2(H)2{HC(N‐2,6‐iPr2C6H3)2}2(thf)2], 2 , which possesses a quadruply bonded Mo2II core, undergoes light‐induced (365 nm) reductive elimination of H2 and arene coordination in benzene and toluene solutions, with formation of the MoI2 complexes [Mo2{HC(N‐2,6‐iPr2C6H3)2}2(arene)], 3?C6H6 and 3?C6H5Me , respectively. The analogous C6H5OMe, p‐C6H4Me2, C6H5F, and p‐C6H4F2 derivatives have also been prepared by thermal or photochemical methods, which nevertheless employ different Mo2 complex precursors. X‐ray crystallography and solution NMR studies demonstrate that the molecule of the arene bridges the molybdenum atoms of the MoI2 core, coordinating to each in an η2 fashion. In solution, the arene rotates fast on the NMR timescale around the Mo2‐arene axis. For the substituted aromatic hydrocarbons, the NMR data are consistent with the existence of a major rotamer in which the metal atoms are coordinated to the more electron‐rich C?C bonds. 相似文献
107.
Da Zhao Jiji Zhang Prof. Dr. Zuowei Xie 《Angewandte Chemie (International ed. in English)》2014,53(32):8488-8491
Like the importance of benzyne, witnessed in modern arene chemistry for decades, 1,2‐dehydro‐o‐carborane (o‐carboryne), a three‐dimensional relative of benzyne, has been used as a synthon for generating a wide range of cage, carbon‐functionalized carboranes over the past 20 years. However, the selective B functionalization of the cage still represents a challenging task. Disclosed herein is the first example of 1,3‐dehydro‐o‐carborane featuring a cage C? B bond having multiple bonding characters, and is successfully generated by treatment of 3‐diazonium‐o‐carborane tetrafluoroborate with non‐nucleophilic bases. This presents a new methodology for simultaneous functionalization of both cage carbon and boron vertices. 相似文献
108.
Dr. Masaki Yoshida Dr. Mio Kondo Prof. Toshikazu Nakamura Prof. Ken Sakai Prof. Shigeyuki Masaoka 《Angewandte Chemie (International ed. in English)》2014,53(43):11519-11523
A series of [{(terpy)(bpy)Ru}(μ‐O){Ru(bpy)(terpy)}]n+ ( [RuORu]n+ , terpy=2,2′;6′,2′′‐terpyridine, bpy=2,2′‐bipyridine) was systematically synthesized and characterized in three distinct redox states (n=3, 4, and 5 for RuII,III2 , RuIII,III2 , and RuIII,IV2 , respectively). The crystal structures of [RuORu]n+ (n=3, 4, 5) in all three redox states were successfully determined. X‐ray crystallography showed that the Ru? O distances and the Ru‐O‐Ru angles are mainly regulated by the oxidation states of the ruthenium centers. X‐ray crystallography and ESR spectra clearly revealed the detailed electronic structures of two mixed‐valence complexes, [RuIIIORuIV]5+ and [RuIIORuIII]3+ , in which each unpaired electron is completely delocalized across the oxo‐bridged dinuclear core. These findings allow us to understand the systematic changes in structure and electronic state that accompany the changes in the redox state. 相似文献
109.
Tailoring of High‐Order Multiple Emulsions by the Liquid–Liquid Phase Separation of Ternary Mixtures 下载免费PDF全文
Martin F. Haase Jasna Brujic 《Angewandte Chemie (International ed. in English)》2014,53(44):11793-11797
Multiple emulsions with an “onion” topology are useful vehicles for drug delivery, biochemical assays, and templating materials. They can be assembled by ternary liquid phase separation by microfluidics, but the control over their design is limited because the mechanism for their creation is unknown. Herein we show that phase separation occurs through self‐similar cycles of mass transfer, spinodal decomposition or nucleation, and coalescence into multiple layers. Mapping out the phase diagram shows a linear relationship between the diameters of concentric layers, the slope of which depends on the initial ternary composition and the molecular weight of the surfactant. These general rules quantitatively predict the number of droplet layers (multiplicity), which we used to devise self‐assembly routes for polymer capsules and liposomes. Moreover, we extended the technique to the assembly of lipid‐stabilized droplets with ordered internal structures. 相似文献
110.
利用原子吸收分光光度法分别用钾空心阴极灯测钠、锌空心阴极灯测铜,标准曲线线性良好,相关系数均在0.999以上。钾灯测量钠质控样结果为0.747 mg/L,在质控样标称值范围(0.712±0.049)mg/L之内。锌灯测量铜质控样结果为1.23 mg/L,在质控样标称值范围(1.19±0.05)mg/L之内。钾灯测钠的相对标准偏差为0.47%(n=6),加标回收率为99.8%。锌灯测铜的相对标准偏差为0.53%(n=6),加标回收率为103%。一灯多用在环境监测工作中是可行的。 相似文献