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Article ; Online: Two-Dimensional Tandem Mass Spectrometry for Biopolymer Structural Analysis.

Le, MyPhuong T / Holden, Dylan T / Manheim, Jeremy M / Dziekonski, Eric T / Iyer, Kiran / Graham Cooks, R

Angewandte Chemie (International ed. in English)

2024 Volume 63, Issue 9, Page(s) e202315904

Abstract: Biopolymer analysis, including proteomics and glycomics, relies heavily on the use of mass spectrometry for structural elucidation, including sequence determination. Novel methods to improve sample workup, instrument performance, and data analysis ... ...

Abstract	Biopolymer analysis, including proteomics and glycomics, relies heavily on the use of mass spectrometry for structural elucidation, including sequence determination. Novel methods to improve sample workup, instrument performance, and data analysis continue to be developed to address shortcomings associated with sample preparation, analysis time, data quality, and data interpretation. Here, we present a new method that couples in-source collision-induced dissociation (IS-CID) with two-dimensional tandem mass spectrometry (2D MS/MS) as a way to simplify proteomics and glycomics workflows while also providing additional insight into analyte structures over traditional MS/MS experiments. Specifically, IS-CID is employed as a gas-phase digestion method, i.e., to break down intact full-length polysaccharide or peptide ions prior to mass analysis. The resulting mixtures of oligomeric ions are analyzed by 2D-MS/MS, a technique that allows association of product ions with their precursor ions without isolation of the latter. A novel data analysis strategy is introduced to leverage the second dimension of 2D MS/MS spectra, in which stairstep patterns, representing outputs of a molecule's MS
MeSH term(s)	Tandem Mass Spectrometry/methods ; Peptides/chemistry ; Biopolymers ; Ions/chemistry ; Proteomics/methods
Chemical Substances	Peptides ; Biopolymers ; Ions
Language	English
Publishing date	2024-01-24
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2011836-3
ISSN	1521-3773 ; 1433-7851
ISSN (online)	1521-3773
ISSN	1433-7851
DOI	10.1002/anie.202315904
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Article ; Online: Automated High-Throughput System Combining Small-Scale Synthesis with Bioassays and Reaction Screening.

Morato, Nicolás M / Le, MyPhuong T / Holden, Dylan T / Graham Cooks, R

SLAS technology

2021 Volume 26, Issue 6, Page(s) 555–571

Abstract: The Purdue Make It system is a unique automated platform capable of small-scale in situ synthesis, screening small-molecule reactions, and performing direct label-free bioassays. The platform is based on desorption electrospray ionization (DESI), an ... ...

Abstract	The Purdue Make It system is a unique automated platform capable of small-scale in situ synthesis, screening small-molecule reactions, and performing direct label-free bioassays. The platform is based on desorption electrospray ionization (DESI), an ambient ionization method that allows for minimal sample workup and is capable of accelerating reactions in secondary droplets, thus conferring unique advantages compared with other high-throughput screening technologies. By combining DESI with liquid handling robotics, the system achieves throughputs of more than 1 sample/s, handling up to 6144 samples in a single run. As little as 100 fmol/spot of analyte is required to perform both initial analysis by mass spectrometry (MS) and further MS
MeSH term(s)	Biological Assay ; High-Throughput Screening Assays ; Mass Spectrometry
Language	English
Publishing date	2021-10-26
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S. ; Review
ZDB-ID	2900310-6
ISSN	2472-6311 ; 2472-6303
ISSN (online)	2472-6311
ISSN	2472-6303
DOI	10.1177/24726303211047839
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Article ; Online: Fragmentation of Polyfunctional Compounds Recorded Using Automated High-Throughput Desorption Electrospray Ionization.

Le, MyPhuong T / Morato, Nicolás M / Kaerner, Andreas / Welch, Christopher J / Cooks, R Graham

Journal of the American Society for Mass Spectrometry

2021 Volume 32, Issue 8, Page(s) 2261–2273

Abstract: Using desorption electrospray ionization (DESI) as part of an automated high-throughput system, tandem mass spectra of the compounds in a pharmaceutical library were recorded in the positive mode under standardized conditions. Quality control filtering ... ...

Abstract	Using desorption electrospray ionization (DESI) as part of an automated high-throughput system, tandem mass spectra of the compounds in a pharmaceutical library were recorded in the positive mode under standardized conditions. Quality control filtering yielded an MS/MS library of 16 662 spectra. Fragmentation of subsets of the compounds in the library chosen to contain a single instance of a particular functional group (amide, piperazine, sulfonamide) was predicted by experts, and the results were compared with the experimental data. Expert performance was good to excellent for all the cases evaluated. Substituents on the functional groups were found to exert important secondary control over the fragmentation, with the main effect observed being product ion stabilization by aromatic substitution, which was consistent across the different groups evaluated. These substituent effects are generally explicable in terms of standard physical organic chemistry considerations of product ion stability as controlling fragmentation. A somewhat unexpected feature was the incidence of homolytic cleavages, driven by the stability of substituted amine radical cations. The findings of this study are intended to lay the groundwork for machine learning approaches to performing MS/MS spectrum → structure and structure → MS/MS spectrum operations on the same experimental data set. The effort involved and the success achieved in computer-aided interpretation, now underway, will be compared with the expert performance as described here.
Language	English
Publishing date	2021-07-19
Publishing country	United States
Document type	Journal Article
ZDB-ID	1073671-2
ISSN	1879-1123 ; 1044-0305
ISSN (online)	1879-1123
ISSN	1044-0305
DOI	10.1021/jasms.1c00176
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Zs.A 4618: Show issues			Location: Je nach Verfügbarkeit (siehe Angabe bei Bestand) bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular Jg. 1995 - 2021: Lesesall (2.OG) ab Jg. 2022: Lesesaal (EG)
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Article ; Online: Effects of fructose-containing sweeteners on fructose intestinal, hepatic, and oral bioavailability in dual-catheterized rats.

Villegas, Leah R / Rivard, Christopher J / Hunter, Brandi / You, Zhiying / Roncal, Carlos / Joy, Melanie S / Le, MyPhuong T

PloS one

2018 Volume 13, Issue 11, Page(s) e0207024

Abstract: Objective: Fructose is commonplace in Western diets and is consumed primarily through added sugars as sucrose or high fructose corn syrup. High consumption of fructose has been linked to the development of metabolic disorders, such as cardiovascular ... ...

Abstract	Objective: Fructose is commonplace in Western diets and is consumed primarily through added sugars as sucrose or high fructose corn syrup. High consumption of fructose has been linked to the development of metabolic disorders, such as cardiovascular diseases. The majority of the harmful effects of fructose can be traced to its uncontrolled and rapid metabolism, primarily within the liver. It has been speculated that the formulation of fructose-containing sweeteners can have varying impacts on its adverse effects. Unfortunately, there is limited data supporting this hypothesis. The objective of this study was to examine the impact of different fructose-containing sweeteners on the intestinal, hepatic, and oral bioavailability of fructose. Methods: Portal and femoral vein catheters were surgically implanted in male Wistar rats. Animals were gavaged with a 1 g/kg carbohydrate solution consisting of fructose, 45% glucose/55% fructose, sucrose, glucose, or water. Blood samples were then collected from the portal and systemic circulation. Fructose levels were measured and pharmacokinetic parameters were calculated. Results: Compared to animals that were gavaged with 45% glucose/55% fructose or sucrose, fructose-gavaged animals had a 40% greater fructose area under the curve and a 15% greater change in maximum fructose concentration in the portal circulation. In the systemic circulation of fructose-gavaged animals, the fructose area under the curve was 17% and 24% higher and the change in the maximum fructose concentration was 15% and 30% higher than the animals that received 45% glucose/55% fructose or sucrose, respectively. After the oral administration of fructose, 45% glucose/55% fructose, and sucrose, the bioavailability of fructose was as follows: intestinal availability was 0.62, 0.53 and 0.57; hepatic availability was 0.33, 0.45 and 0.45; and oral bioavailability was 0.19, 0.23 and 0.24, respectively. Conclusions: Our studies show that the co-ingestion of glucose did not enhance fructose absorption, rather, it decreased fructose metabolism in the liver. The intestinal, hepatic, and oral bioavailability of fructose was similar between 45% glucose/55% fructose and sucrose.
MeSH term(s)	Administration, Oral ; Animals ; Area Under Curve ; Biological Availability ; Blood Glucose/analysis ; Fructose/blood ; Fructose/pharmacokinetics ; Glucose/metabolism ; Half-Life ; Intestinal Mucosa/metabolism ; Liver/metabolism ; Male ; ROC Curve ; Rats ; Rats, Wistar
Chemical Substances	Blood Glucose ; Fructose (30237-26-4) ; Glucose (IY9XDZ35W2)
Language	English
Publishing date	2018-11-08
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ISSN	1932-6203
ISSN (online)	1932-6203
DOI	10.1371/journal.pone.0207024
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Article ; Online: Effects of fructose-containing sweeteners on fructose intestinal, hepatic, and oral bioavailability in dual-catheterized rats.

Leah R Villegas / Christopher J Rivard / Brandi Hunter / Zhiying You / Carlos Roncal / Melanie S Joy / MyPhuong T Le

PLoS ONE, Vol 13, Iss 11, p e

2018 Volume 0207024

Abstract: Objective Fructose is commonplace in Western diets and is consumed primarily through added sugars as sucrose or high fructose corn syrup. High consumption of fructose has been linked to the development of metabolic disorders, such as cardiovascular ... ...

Abstract	Objective Fructose is commonplace in Western diets and is consumed primarily through added sugars as sucrose or high fructose corn syrup. High consumption of fructose has been linked to the development of metabolic disorders, such as cardiovascular diseases. The majority of the harmful effects of fructose can be traced to its uncontrolled and rapid metabolism, primarily within the liver. It has been speculated that the formulation of fructose-containing sweeteners can have varying impacts on its adverse effects. Unfortunately, there is limited data supporting this hypothesis. The objective of this study was to examine the impact of different fructose-containing sweeteners on the intestinal, hepatic, and oral bioavailability of fructose. Methods Portal and femoral vein catheters were surgically implanted in male Wistar rats. Animals were gavaged with a 1 g/kg carbohydrate solution consisting of fructose, 45% glucose/55% fructose, sucrose, glucose, or water. Blood samples were then collected from the portal and systemic circulation. Fructose levels were measured and pharmacokinetic parameters were calculated. Results Compared to animals that were gavaged with 45% glucose/55% fructose or sucrose, fructose-gavaged animals had a 40% greater fructose area under the curve and a 15% greater change in maximum fructose concentration in the portal circulation. In the systemic circulation of fructose-gavaged animals, the fructose area under the curve was 17% and 24% higher and the change in the maximum fructose concentration was 15% and 30% higher than the animals that received 45% glucose/55% fructose or sucrose, respectively. After the oral administration of fructose, 45% glucose/55% fructose, and sucrose, the bioavailability of fructose was as follows: intestinal availability was 0.62, 0.53 and 0.57; hepatic availability was 0.33, 0.45 and 0.45; and oral bioavailability was 0.19, 0.23 and 0.24, respectively. Conclusions Our studies show that the co-ingestion of glucose did not enhance fructose absorption, rather, it decreased fructose metabolism in the liver. The intestinal, hepatic, and oral bioavailability of fructose was similar between 45% glucose/55% fructose and sucrose.
Keywords	Medicine ; R ; Science ; Q
Subject code	630
Language	English
Publishing date	2018-01-01T00:00:00Z
Publisher	Public Library of Science (PLoS)
Document type	Article ; Online
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Article ; Online: Protective role of fructokinase blockade in the pathogenesis of acute kidney injury in mice.

Andres-Hernando, Ana / Li, Nanxing / Cicerchi, Christina / Inaba, Shinichiro / Chen, Wei / Roncal-Jimenez, Carlos / Le, Myphuong T / Wempe, Michael F / Milagres, Tamara / Ishimoto, Takuji / Fini, Mehdi / Nakagawa, Takahiko / Johnson, Richard J / Lanaspa, Miguel A

Nature communications

2017 Volume 8, Page(s) 14181

Abstract: Acute kidney injury is associated with high mortality, especially in intensive care unit patients. The polyol pathway is a metabolic route able to convert glucose into fructose. Here we show the detrimental role of endogenous fructose production by the ... ...

Abstract	Acute kidney injury is associated with high mortality, especially in intensive care unit patients. The polyol pathway is a metabolic route able to convert glucose into fructose. Here we show the detrimental role of endogenous fructose production by the polyol pathway and its metabolism through fructokinase in the pathogenesis of ischaemic acute kidney injury (iAKI). Consistent with elevated urinary fructose in AKI patients, mice undergoing iAKI show significant polyol pathway activation in the kidney cortex characterized by high levels of aldose reductase, sorbitol and endogenous fructose. Wild type but not fructokinase knockout animals demonstrate severe kidney injury associated with ATP depletion, elevated uric acid, oxidative stress and inflammation. Interestingly, both the renal injury and dysfunction in wild-type mice undergoing iAKI is significantly ameliorated when exposed to luteolin, a recently discovered fructokinase inhibitor. This study demonstrates a role for fructokinase and endogenous fructose as mediators of acute renal disease.
MeSH term(s)	Acute Kidney Injury/etiology ; Acute Kidney Injury/metabolism ; Acute Kidney Injury/prevention & control ; Aldehyde Reductase/metabolism ; Animals ; Cell Line ; Fructokinases/antagonists & inhibitors ; Fructokinases/genetics ; Fructokinases/metabolism ; Fructose/metabolism ; Fructose/urine ; Humans ; Ischemia/complications ; Kidney/drug effects ; Kidney/metabolism ; Kidney/pathology ; Luteolin/pharmacology ; Mice, Inbred C57BL ; Mice, Knockout ; Oxidative Stress/drug effects ; Protective Agents/pharmacology ; Uric Acid/metabolism
Chemical Substances	Protective Agents ; Uric Acid (268B43MJ25) ; Fructose (30237-26-4) ; Aldehyde Reductase (EC 1.1.1.21) ; Fructokinases (EC 2.7.1.-) ; fructokinase (EC 2.7.1.4) ; Luteolin (KUX1ZNC9J2)
Language	English
Publishing date	2017-02-13
Publishing country	England
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	2553671-0
ISSN	2041-1723 ; 2041-1723
ISSN (online)	2041-1723
ISSN	2041-1723
DOI	10.1038/ncomms14181
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Article ; Online: Diabetes and Kidney Disease in American Indians: Potential Role of Sugar-Sweetened Beverages.

Yracheta, Joseph M / Lanaspa, Miguel A / Le, MyPhuong T / Abdelmalak, Manal F / Alfonso, Javier / Sánchez-Lozada, Laura G / Johnson, Richard J

Mayo Clinic proceedings

2015 Volume 90, Issue 6, Page(s) 813–823

Abstract: Since the early 20th century, a marked increase in obesity, diabetes, and chronic kidney disease has occurred in the American Indian population, especially the Pima Indians of the Southwest. Here, we review the current epidemic and attempt to identify ... ...

Abstract	Since the early 20th century, a marked increase in obesity, diabetes, and chronic kidney disease has occurred in the American Indian population, especially the Pima Indians of the Southwest. Here, we review the current epidemic and attempt to identify remediable causes. A search was performed using PubMed and the search terms American Indian and obesity, American Indian and diabetes, American Indian and chronic kidney disease, and American Indian and sugar or fructose, Native American, Alaska Native, First Nations, Aboriginal, Amerind, and Amerindian for American Indian for articles linking American Indians with diabetes, obesity, chronic kidney disease, and sugar; additional references were identified in these publications traced to 1900 and articles were reviewed if they were directly discussing these topics. Multiple factors are involved in the increased risk for diabetes and kidney disease in the American Indian population, including poverty, overnutrition, poor health care, high intake of sugar, and genetic mechanisms. Genetic factors may be especially important in the Pima, as historical records suggest that this group was predisposed to obesity before exposure to Western culture and diet. Exposure to sugar-sweetened beverages may also be involved in the increased risk for chronic kidney disease. In these small populations in severe health crisis, we recommend further studies to investigate the role of excess added sugar, especially sugar-sweetened beverages, as a potentially remediable risk factor.
MeSH term(s)	Beverages ; Diabetes Mellitus/ethnology ; Food Preferences ; Humans ; Indians, North American/psychology ; Indians, North American/statistics & numerical data ; Kidney Diseases/ethnology ; Obesity/ethnology ; Sweetening Agents
Chemical Substances	Sweetening Agents
Language	English
Publishing date	2015-06
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Review
ZDB-ID	124027-4
ISSN	1942-5546 ; 0025-6196
ISSN (online)	1942-5546
ISSN	0025-6196
DOI	10.1016/j.mayocp.2015.03.018
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Article ; Online: Protective role of fructokinase blockade in the pathogenesis of acute kidney injury in mice

Ana Andres-Hernando / Nanxing Li / Christina Cicerchi / Shinichiro Inaba / Wei Chen / Carlos Roncal-Jimenez / Myphuong T. Le / Michael F. Wempe / Tamara Milagres / Takuji Ishimoto / Mehdi Fini / Takahiko Nakagawa / Richard J. Johnson / Miguel A. Lanaspa

Nature Communications, Vol 8, Iss 1, Pp 1-

2017 Volume 12

Abstract: The polyol pathway, which converts glucose into sorbitol and fructose, is active in chronic conditions like hepatic steatosis and chronic kidney disease. Here, Andres-Hernandoet al. show that fructose production promotes renal injury and fructokinase ... ...

Abstract	The polyol pathway, which converts glucose into sorbitol and fructose, is active in chronic conditions like hepatic steatosis and chronic kidney disease. Here, Andres-Hernandoet al. show that fructose production promotes renal injury and fructokinase inhibition protects against kidney damage during ischaemic acute kidney disease.
Keywords	Science ; Q
Language	English
Publishing date	2017-02-01T00:00:00Z
Publisher	Nature Portfolio
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: SLC2A9--a fructose transporter identified as a novel uric acid transporter.

Le, Myphuong T / Shafiu, Mohamed / Mu, Wei / Johnson, Richard J

Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association

2008 Volume 23, Issue 9, Page(s) 2746–2749

MeSH term(s)	Animals ; Female ; Fructose/metabolism ; Glucose Transport Proteins, Facilitative/genetics ; Glucose Transport Proteins, Facilitative/metabolism ; Glucose Transport Proteins, Facilitative/physiology ; Gout/epidemiology ; Gout/physiopathology ; Homeostasis/physiology ; Humans ; Hyperuricemia/genetics ; Hyperuricemia/metabolism ; Kidney Tubules, Proximal/physiopathology ; Male ; Polymorphism, Single Nucleotide/physiology ; Risk Factors ; Sex Factors ; Uric Acid/metabolism
Chemical Substances	Glucose Transport Proteins, Facilitative ; SLC2A9 protein, human ; Uric Acid (268B43MJ25) ; Fructose (30237-26-4)
Language	English
Publishing date	2008-07-07
Publishing country	England
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Review
ZDB-ID	90594-x
ISSN	1460-2385 ; 0931-0509
ISSN (online)	1460-2385
ISSN	0931-0509
DOI	10.1093/ndt/gfn349
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Zs.A 2198: Show issues			Location: Je nach Verfügbarkeit (siehe Angabe bei Bestand) bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular Jg. 1995 - 2021: Lesesall (1.OG) ab Jg. 2022: Lesesaal (EG)
Zs.MO 329: Show issues

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Article ; Online: Bioactivity-Guided Identification of Botanical Inhibitors of Ketohexokinase.

MyPhuong T Le / Miguel A Lanaspa / Christina M Cicerchi / Jatinder Rana / Jeffrey D Scholten / Brandi L Hunter / Christopher J Rivard / R Keith Randolph / Richard J Johnson

PLoS ONE, Vol 11, Iss 6, p e

2016 Volume 0157458

Abstract: OBJECTIVE:In developed countries with westernized diets, the excessive consumption of added sugar in beverages and highly refined and processed foods is associated with increased risk for obesity, diabetes, and cardiovascular diseases. As a major ... ...

Abstract	OBJECTIVE:In developed countries with westernized diets, the excessive consumption of added sugar in beverages and highly refined and processed foods is associated with increased risk for obesity, diabetes, and cardiovascular diseases. As a major constituent of added sugars, fructose has been shown to cause a variety of adverse metabolic effects, such as impaired insulin sensitivity, hypertriglyceridemia, and oxidative stress. Recent studies have shown that ketohexokinase isoform C is the key enzyme responsible in fructose metabolism that drive's fructose's adverse effects. The objective of this study was to identify botanical ingredients with potential for inhibitory activity against ketohexokinase-C and fructose-induced metabolic effects by using a series of in vitro model systems. METHODS:Extracts from 406 botanicals and 1200 purified phytochemicals were screened (initial concentration of 50 μg/mL and 50 μM, respectively) for their inhibitory activity using a cell free, recombinant human ketohexokinase-C assay. Dose response evaluations were conducted on botanical extracts and phytochemicals that inhibited ketohexokinase-C by > 30% and > 40%, respectively. Two different extract lots of the top botanical candidates were further evaluated in lysates of HepG2 cells overexpressing ketohexokinase-C for inhibition of fructose-induced ATP depletion. In addition, extracts were evaluated in intact Hep G2 cells for inhibition of fructose-induced elevation of triglyceride and uric acid production. RESULTS:Among the botanical extracts, phloretin (Malus domestica) extracts were the most potent (IC50: 8.9-9.2 μg/mL) followed by extracts of Angelica archangelica (IC50: 22.6 μg/mL-57.3 μg/mL). Among the purified phytochemicals, methoxy-isobavachalcone (Psoralea corylifolia, IC50 = 0.2 μM) exhibited the highest potency against ketohexokinase isoform C activity followed by osthole (Angelica archangelica, IC50 = 0.7 μM), cratoxyarborenone E (Cratoxylum prunifolium, IC50 = 1.0 μM), and α-/γ-mangostin (Cratoxylum ...
Keywords	Medicine ; R ; Science ; Q
Subject code	571
Language	English
Publishing date	2016-01-01T00:00:00Z
Publisher	Public Library of Science (PLoS)
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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