Molecular Education, Technology and Research Innovation Center

Works Published in 2020

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Displaying works 21 - 40 of 44 in total

Sorted by most recent date added to the index first, which may not be the same as publication date order.

2020 journal article

Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 76, 1001–1014.

By: S. Agarwal, M. Smith*, I. De La Rosa, K. Verba, P. Swartz*, M. Segura-Totten, C. Mattos

author keywords: BAF; multiple solvent crystal structures; conserved water for structure refinement; differentialB-factor analysis
MeSH headings : Binding Sites; DNA / metabolism; DNA-Binding Proteins / chemistry; DNA-Binding Proteins / metabolism; Dimerization; Humans; Ligands; Models, Molecular; Protein Binding; Solvents / chemistry
TL;DR: An MSCS data-handling pipeline is presented that uses the Detection of Related Solvent Positions (DRoP) program to improve data quality, and normalized and differential B-factor analysis is shown to be a valuable tool to characterize the effects of specific solvents on defined regions of BAF. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: November 16, 2020

2020 journal article

3D Imaging and metabolomic profiling reveal higher neuroactive kavalactone contents in lateral roots and crown root peels of Piper methysticum (kava)

GIGASCIENCE, 9(9).

author keywords: kava; kavalactones; metabolomics; 3D imaging; mass spectrometry imaging
MeSH headings : Imaging, Three-Dimensional; Kava; Lactones; Metabolomics; X-Ray Microtomography
TL;DR: Detailed metabolomic profile and spatio-temporal characteristics of tissues from the roots and stems are characterized using cross-platform metabolomics and a 3D imaging approach to provide mechanistic insights into the social and clinical practice of the use of only peeled roots. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: November 16, 2020

2020 journal article

Lipidomic profiling of single mammalian cells by infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI)

ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 412(29), 8211–8222.

By: Y. Xi n, A. Tu n & D. Muddiman n

author keywords: Single-cell analysis; Lipidome; Mass spectrometry; IR-MALDESI; Orbitrap
MeSH headings : Animals; HeLa Cells; Humans; Limit of Detection; Lipidomics; Rats; Reproducibility of Results; Single-Cell Analysis / methods; Spectrometry, Mass, Electrospray Ionization / methods; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods
TL;DR: A rapid and sensitive method for investigating the lipid profiles of isolated single cells using infrared matrix-assisted laser desorption electrospray ionization mass spectrometry (IR-MALDESI-MS), which provides an important basis for future work on differentiation between normal and diseased cells at various developmental states. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: October 12, 2020

2020 journal article

Comparative Proteomic Analysis of Wild Type and Mutant Lacking an SCF E3 Ligase F-Box Protein in Magnaporthe oryzae

JOURNAL OF PROTEOME RESEARCH, 19(9), 3761–3768.

By: J. Kalmar n, Y. Oh n, R. Dean n & D. Muddiman n

MeSH headings : Ascomycota; F-Box Proteins / genetics; Fungal Proteins / genetics; Magnaporthe / metabolism; Proteomics; Ubiquitin-Protein Ligases / genetics
TL;DR: A label-free quantitative global proteomics technique was used to probe the role of ubiquitination and phosphorylation in the mechanism of how E3 ligase regulates change in virulence of M. oryzae and greatly assist in the selection of future genes for functional studies and enabling mechanistic insight related to virulence. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: October 5, 2020

2020 journal article

Metabolite Profiling Reveals Predictive Biomarkers and the Absence of beta-Methyl Amino-L-alanine in Plasma from Individuals Diagnosed with Amyotrophic Lateral Sclerosis

JOURNAL OF PROTEOME RESEARCH, 19(8), 3276–3285.

author keywords: amyotrophic lateral sclerosis; biomarkers; BMAA; CZE-MS/MS; metabolites; plasma
MeSH headings : Alanine; Amyotrophic Lateral Sclerosis / diagnosis; Biomarkers; Female; Humans; Male; Mass Spectrometry; Metabolome
TL;DR: The plasma metabolome of 134 patients diagnosed with sporadic amyotrophic lateral sclerosis and 118 individuals deemed healthy was profiled, and two models using the metabolite abundances were developed for the separation of ALS and healthy samples and the prediction of disease progression based on the ALS functional rating score. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: September 14, 2020

2020 journal article

Enhanced protocol for quantitativeN-linked glycomics analysis using Individuality Normalization when Labeling with Isotopic Glycan Hydrazide Tags (INLIGHT)(TM)

ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 412(27), 7569–7579.

By: J. Kalmar n, K. Butler n, E. Baker n & D. Muddiman n

author keywords: Glycomics; Orbitrap; Sample preparation; INLIGHT (TM); N-linked glycans; HILIC; PGC; Reversed-phase; Chromatography
MeSH headings : Chromatography, Reverse-Phase / methods; Female; Fetuins / chemistry; Glycomics / methods; Glycosylation; Humans; Male; Peptide-N4-(N-acetyl-beta-glucosaminyl) Asparagine Amidase / chemistry; Polysaccharides / analysis; Tandem Mass Spectrometry / methods
TL;DR: To assess the maximum sensitivity and separability of the INLIGHT™ preparation and analysis pipeline, several critical steps were investigated and the identification of low-abundance glycans, such as (Fuc)1(Gal)2(GlcNAc)4(Man)3(NeuAc)3, was possible. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: September 14, 2020

2020 journal article

Infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) mass spectrometry imaging analysis of endogenous metabolites in cherry tomatoes

ANALYST, 145(16), 5516–5523.

By: M. Bagley, C. Pace*, M. Ekelof* & D. Muddiman n

MeSH headings : Lasers; Lipids; Solanum lycopersicum; Spectrometry, Mass, Electrospray Ionization; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization
TL;DR: The spatially resolved metabolic profiling of cherry tomatoes using infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI), a mass spectrometry imaging technique that operates at ambient conditions and requires no sample derivatization, finds endogenous carotenoid hydrocarbons ionized as radical cations. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 31, 2020

2020 journal article

Direct Analysis of Native N-Linked Glycans by IR-MALDESI

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 31(8), 1759–1762.

By: C. Pace n & D. Muddiman n

author keywords: IR-MALDESI; N-linked glycans; glycomics; direct analysis
TL;DR: This study sought to demonstrate infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) as a novel approach for the direct analysis of N-linked glycans. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 31, 2020

2020 journal article

Crystal Structure of 1,9-Dibromo-5-phenyldipyrrin, Tetrapyrrole Synthesis Derivative and Free Base Ligand of BODIPY Building Blocks

X-RAY STRUCTURE ANALYSIS ONLINE, 36, 21–22.

Sources: Web Of Science, NC State University Libraries
Added: August 3, 2020

2020 journal article

Loss-of-function mutations in UDP-Glucose 6-Dehydrogenase cause recessive developmental epileptic encephalopathy

NATURE COMMUNICATIONS, 11(1).

By: H. Hengel*, C. Bosso-Lefevre*, G. Grady n, E. Szenker-Ravi*, H. Li*, S. Pierce*, E. Lebigot*, T. Tan* ...

MeSH headings : Adolescent; Alleles; Animals; Child; Child, Preschool; Epilepsy / genetics; Female; Genes, Recessive; Humans; Infant; Kinetics; Loss of Function Mutation / genetics; Male; Organoids / pathology; Oxidoreductases / chemistry; Oxidoreductases / genetics; Pedigree; Protein Domains; Syndrome; Uridine Diphosphate Glucose Dehydrogenase / genetics; Zebrafish
TL;DR: Biallelic variants in the gene encoding UDP-Glucose 6-Dehydrogenase (UGDH) in individuals affected by developmental epileptic encephalopathies that impair UGDH stability, oligomerization, or enzymatic activity in vitro are reported. (via Semantic Scholar)
Source: Web Of Science
Added: July 20, 2020

2020 journal article

A Dilute and Shoot LC-MS/MS Method for Antipsychotics in Urine

JOURNAL OF ANALYTICAL TOXICOLOGY, 44(4), 331–338.

By: S. Feng*, J. Enders n, O. Cummings, E. Strickland, T. McIntire* & G. McIntire

MeSH headings : Antipsychotic Agents / urine; Aripiprazole; Chromatography, Liquid; Drug Monitoring; Humans; Limit of Detection; Quinolones; Tandem Mass Spectrometry; Thiophenes
TL;DR: A dilute and shoot method for the analysis of 19 different antipsychotics and metabolites takes advantage of earlier reports demonstrating unique, prevalent urine metabolites for aripiprazoles, brexpiprazole, haloperidol, and lurasidone to enhance sensitivity for these analytes. (via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being (Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: June 22, 2020

2020 journal article

Analysis of neurotransmitters in rat placenta exposed to flame retardants using IR-MALDESI mass spectrometry imaging

ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 412(15), 3745–3752.

By: C. Pace n, B. Horman n, H. Patisaul n & D. Muddiman n

author keywords: IR-MALDESI; Mass spectrometry imaging; Neurotransmitters; Exposomics
MeSH headings : Animals; Female; Flame Retardants / adverse effects; Infrared Rays; Neurotransmitter Agents / analysis; Optical Imaging / instrumentation; Optical Imaging / methods; Placenta / chemistry; Placenta / diagnostic imaging; Pregnancy; Rats; Rats, Wistar; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / instrumentation; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods
TL;DR: Changes in the abundance and spatial distribution of neurotransmitters in rat placenta following chemical exposure could be determined using infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) mass spectrometry imaging. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: June 1, 2020

2020 journal article

Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing trans-Dialkyl Substituents in Ring D

The Journal of Organic Chemistry, 85(10), 6605–6619.

MeSH headings : Bacteriochlorophyll A / chemistry; Bacteriochlorophylls / chemistry; Fluorescence
TL;DR: The strategy wherein trans-dialkyl substituents are installed very early and carried through to completion, as validated herein, potentially opens a synthetic path to native photosynthetic pigments. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: ORCID
Added: May 5, 2020

2020 journal article

Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand

Dalton Transactions.

By: N. Lambic n, R. Sommer n & E. Ison n

TL;DR: The lack of a significant steric profile on the SSS ligand combined with enhanced nucleophilicity of the nitrido group does not allow for the effective formation of frustrated Lewis pairs with these complexes and as a result these species are poor catalysts for the hydrogenation of unactivated olefins. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: ORCID
Added: April 24, 2020

2020 journal article

Synthesis and Reactivity of Re(III) and Re(V) Fischer Carbenes

ORGANOMETALLICS, 39(3), 388–396.

By: C. Brown n, C. Lilly n, N. Lambic n, R. Sommer n & E. Ison n

Sources: Web Of Science, NC State University Libraries
Added: April 20, 2020

2020 journal article

Identification of key functionalization species in the Cp*Ir(iii)-catalyzed-ortho halogenation of benzamides

Dalton Transactions.

By: A. Santiago n, C. Brown n, R. Sommer n & E. Ison n

Source: ORCID
Added: April 18, 2020

2020 journal article

Three-Dimensional Imaging with Infrared Matrix-Assisted Laser Desorption Electrospray Ionization Mass Spectrometry

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 31(2), 292–297.

By: H. Bai n, S. Khodjaniyazova n, K. Garrard n & D. Muddiman n

author keywords: mass spectrometry imaging; 3D; IR-MALDESI; MUPS; HRAM
MeSH headings : Anti-Ulcer Agents / analysis; Citrates / analysis; Imaging, Three-Dimensional / methods; Omeprazole / analysis; Pharmaceutical Preparations / chemistry; Proton Pump Inhibitors / analysis; Spectrometry, Mass, Electrospray Ionization / methods; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods; Starch / analysis; Tablets, Enteric-Coated / chemistry
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: March 10, 2020

2020 journal article

Determination of Optimal Electrospray Parameters for Lipidomics in Infrared-Matrix-Assisted Laser Desorption Electrospray Ionization Mass Spectrometry Imaging

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 31(2), 319–325.

By: M. Bagley n, M. Ekelof n & D. Muddiman n

author keywords: IR-MALDESI; mass spectrometry imaging: electrospray ionization; metabolites; lipids
MeSH headings : Animals; Lipidomics / methods; Lipids / analysis; Liver / chemistry; Liver / diagnostic imaging; Molecular Imaging / methods; Rats; Spectrometry, Mass, Electrospray Ionization / methods; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods
TL;DR: Using these defined parameters, IR-MALDESI positive polarity lipidomics studies can increase lipid abundances 3-fold, with 15% greater coverage, while an abundance increase of 1.5-fold and 10% more coverage can be achieved relative to commonly used parameters in negative polarity. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: March 10, 2020

2020 journal article

Development of a relative quantification method for infrared matrix-assisted laser desorption electrospray ionization mass spectrometry imaging of Arabidopsis seedlings

RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 34(6).

By: M. Bagley n, A. Stepanova n, M. Ekelof n, J. Alonso n & D. Muddiman n

MeSH headings : Arabidopsis / chemistry; Arabidopsis / genetics; Arabidopsis Proteins / genetics; Indoleacetic Acids / analysis; Indoles / analysis; Mutation; Oximes / analysis; Oxygenases / genetics; Seedlings / chemistry; Seedlings / genetics; Spectrometry, Mass, Electrospray Ionization / methods; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods
TL;DR: IAA doping of agarose was demonstrated as a viable technique for relative quantification of metabolites in live seedlings or tissues with similar biological considerations and was shown to be an appropriate sampling surface for IR-MALDESI mass spectrometry imaging of Arabidopsis seedlings. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: March 10, 2020

2020 journal article

Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor–Bridge and Bridge–Acceptor Couplings

Journal of the American Chemical Society, 142(10), 4916–4924.

By: D. Shultz n, M. Kirk*, J. Zhang n, D. Stasiw n, G. Wang n, J. Yang*, D. Habel-Rodriguez*, B. Stein*, R. Sommer n

TL;DR: The work provides new detailed insight into the effects of torsional rotations which contribute to inhomogeneities in experimentally determined exchange couplings, electron transfer rates, and electron transport conductance measurements. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: ORCID
Added: March 3, 2020

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