Hybrid method simulations of a soft x-ray beamline

Shi, Yulan; Shi, Xianbo; Reininger, R.; Ding, Hong; Wang, Yong

doi:10.1117/12.2527225

Cited by 15 publications

(23 citation statements)

References 8 publications

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“…Sulfate decomposition is possible when sites of sulfation are protonated, a process that can result from either protonation during ionization or possible proton migration in the gas phase. 24,60 With increasingly sulfated heparan sulfate species that have more than one sulfate per disaccharide, complete deprotonation is unlikely owing to charge repulsion, and incomplete deprotonation contributes to excessive sulfate decomposition upon collisional activation. In contrast, the UVPD spectrum exhibits cleavage of every glycosidic bond in addition to cross-ring cleavages with considerably less SO 3 loss.…”

Section: Resultsmentioning

confidence: 99%

Structural Characterization of Glycosaminoglycan Carbohydrates Using Ultraviolet Photodissociation

et al. 2019

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Structural characterization of sulfated glycosaminoglycans (GAGs) by mass spectrometry has long been a formidable analytical challenge owing to their high structural variability and the propensity for sulfate decomposition upon activation with low-energy ion activation methods. While derivatization and complexation workflows have aimed to generate informative spectra using lowenergy ion activation methods, alternative ion activation methods present the opportunity to obtain informative spectra from native GAG structures. Both electron-and photon-based activation methods, including electron detachment dissociation (EDD), negative electron transfer dissociation (NETD), and extreme ultraviolet photon activation, have been explored previously to overcome the limitations associated with low-energy activation methods for GAGs and other sulfated oligosaccharides. Further, implementation of such methods on high-resolution mass spectrometers has aided the interpretation of the complex spectra generated. Here, we explore ultraviolet photodissociation (UVPD) implemented on an Orbitrap mass spectrometer as another option for structural characterization of GAGs. UVPD spectra for both dermatan and heparan sulfate structures display extensive fragmentation including both glycosidic and cross-ring cleavages with the extent of sulfate retention comparable to that observed by EDD and NETD. In addition, the relatively short activation time of UVPD makes it promising for higher throughput analysis of GAGs in complex mixtures.

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Section: Resultsmentioning

confidence: 99%

Structural Characterization of Glycosaminoglycan Carbohydrates Using Ultraviolet Photodissociation

et al. 2019

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“…72 In addition, gambogic acid (54) was found to inhibit proteasome and cell growth in both SU-DHL-2 activated and SU-DHL-4 germinal center B-cell-like diffuse large B-cell human lymphoma cells. 73 It inhibited lymphoma growth when nude BALB/c mice inoculated with SU-DHL-4 and SU-DHL-2 cells were treated (i.p.) with this compound (3 mg/kg, every two days) for 13 days.…”

Section: Caged Xanthonesmentioning

confidence: 99%

“…with this compound (3 mg/kg, every two days) for 13 days. 73 In an in vitro study, the combination treatment of gambogic acid (54) with the proteasome inhibitors MG132 was found to result in discernible synergistic effects in K562 human leukemia and H22 mouse hepatocarcinoma cells. 74 Thus, gambogic acid (54) and bortezomib (a clinically used proteasome inhibitor) were found to induce cytotoxicity synergistically in cultured HepG2 human and H22 mouse hepatoma cells.…”

Section: Caged Xanthonesmentioning

confidence: 99%

Potential Anticancer Agents Characterized from Selected Tropical Plants

et al. 2019

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Higher plants are well known for their value in affording clinically useful anticancer agents, with such compounds acting against cancer cells by a range of mechanisms of action. There remains a strong interest in the discovery and development of plant secondary metabolites as additional cancer chemotherapeutic lead compounds. In the present review, progress on the discovery of plant-derived compounds of the biflavonoid, lignan, sesquiterpene, steroid, and xanthone structural types is presented. Several potential anticancer leads of these types have been characterized from tropical plants collected in three countries as part of our ongoing collaborative multi-institutional project. Preliminary structure-activity relationships and work on in vivo testing and cellular mechanisms of action are also discussed. In addition, the relevant work reported by other groups on the same compound classes is included herein.

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“…[54][55][56] Aquatic exposure to PFOS has also been shown to increase T3 level, upregulate NIS expression, and alter expression of other HPT genes in zebrafish larvae. 57 In addition, higher concentrations of serum PFOA and PFOS have been associated with current thyroid disease in the U.S. adult population. 58 In this study, both PFOS samples produced significant RAIU inhibition with similar dose-responses ( Figure 3a) and absEC 50 values (−4.78 and −4.74).…”

Section: Chemical Potency Rankingmentioning

confidence: 99%

High-Throughput Screening and Quantitative Chemical Ranking for Sodium-Iodide Symporter Inhibitors in ToxCast Phase I Chemical Library

Wang¹,

Hallinger²,

Murr³

et al. 2018

Environ. Sci. Technol.

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Thyroid uptake of iodide via the sodium-iodide symporter (NIS) is the first step in the biosynthesis of thyroid hormones that are critical for health and development in humans and wildlife. Despite having long been a known target of endocrine disrupting chemicals such as perchlorate, information regarding NIS inhibition activity is still unavailable for the vast majority of environmental chemicals. This study applied a previously validated high-throughput approach to screen for NIS inhibitors in the ToxCast phase I library, representing 293 important environmental chemicals. Here 310 blinded samples were screened in a tiered-approach using an initial single-concentration (100 μM) radioactive-iodide uptake (RAIU) assay, followed by 169 samples further evaluated in multi-concentration (0.001 μM-100 μM) testing in parallel RAIU and cell viability assays. A novel chemical ranking system that incorporates multi-concentration RAIU and cytotoxicity responses was also developed as a standardized method for chemical prioritization in current and future screenings. Representative chemical responses and thyroid effects of high-ranking chemicals are further discussed. This study significantly expands current knowledge of NIS inhibition potential in environmental chemicals and provides critical support to U.S. EPA's Endocrine Disruptor Screening Program (EDSP) initiative to expand coverage of thyroid molecular targets, as well as the development of thyroid adverse outcome pathways (AOPs).

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Hybrid method simulations of a soft x-ray beamline

Cited by 15 publications

References 8 publications

Structural Characterization of Glycosaminoglycan Carbohydrates Using Ultraviolet Photodissociation

Structural Characterization of Glycosaminoglycan Carbohydrates Using Ultraviolet Photodissociation

Potential Anticancer Agents Characterized from Selected Tropical Plants

High-Throughput Screening and Quantitative Chemical Ranking for Sodium-Iodide Symporter Inhibitors in ToxCast Phase I Chemical Library

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