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Article ; Online: Molecular-Scale Exploration of Mechanical Properties and Interactions of Poly(lactic acid) with Cellulose and Chitin.

Mileo, Paulo G M / Krauter, Caroline M / Sanders, Jeffrey M / Browning, Andrea R / Halls, Mathew D

ACS omega

2023 Volume 8, Issue 45, Page(s) 42417–42428

Abstract: Poly(lactic acid) (PLA), one of the pillars of the current overarching displacement trend switching from fossil- to natural-based polymers, is often used in association with polysaccharides to increase its mechanical properties. However, the use of PLA/ ... ...

Abstract	Poly(lactic acid) (PLA), one of the pillars of the current overarching displacement trend switching from fossil- to natural-based polymers, is often used in association with polysaccharides to increase its mechanical properties. However, the use of PLA/polysaccharide composites is greatly hampered by their poor miscibility, whose underlying nature is still vastly unexplored. This work aims to shed light on the interactions of PLA and two representative polysaccharide molecules (cellulose and chitin) and reveal structure-property relationships from a fundamental perspective using atomistic molecular dynamics. Our computational strategy was able to reproduce key experimental mechanical properties of pure and/or composite materials, reveal a decrease in immiscibility in PLA/chitin compared to PLA/cellulose associations, assert PLA-oriented polysaccharide reorientations, and explore how less effective PLA-polysaccharide hydrogen bonds are related to the poor PLA/polysaccharide miscibility. The connection between the detailed chemical interactions and the composite behavior found in this work is beneficial to the discovery of new biodegradable and natural polymer composite mixtures that can provide needed performance characteristics.
Language	English
Publishing date	2023-10-31
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.3c04880
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Molecular-Scale Exploration of Mechanical Properties and Interactions of Poly(lactic acid) with Cellulose and Chitin

Paulo G. M. Mileo / Caroline M. Krauter / Jeffrey M. Sanders / Andrea R. Browning / Mathew D. Halls

ACS Omega, Vol 8, Iss 45, Pp 42417-

2023 Volume 42428

Keywords	Chemistry ; QD1-999
Language	English
Publishing date	2023-10-01T00:00:00Z
Publisher	American Chemical Society
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Advances in Pediatric Urinary Diversion.

Browning, Jeffrey D / Stephany, Heidi A

The Urologic clinics of North America

2018 Volume 45, Issue 1, Page(s) 123–132

Abstract: Pediatric urinary diversion is performed for a unique set of indications with many options to consider. Although surgical intervention has decreased in necessity overall due to advances in expectant management, it remains an important tool. There are ... ...

Abstract	Pediatric urinary diversion is performed for a unique set of indications with many options to consider. Although surgical intervention has decreased in necessity overall due to advances in expectant management, it remains an important tool. There are many options and various factors to consider in choosing the right type of diversion for an individual and these patients require lifelong follow-up with a pediatric urologist and eventually an adult urologist. This article provides a detailed review of the most relevant techniques used by pediatric urologists for urinary diversion.
Language	English
Publishing date	2018-02
Publishing country	United States
Document type	Journal Article ; Review
ZDB-ID	192293-2
ISSN	1558-318X ; 0094-0143
ISSN (online)	1558-318X
ISSN	0094-0143
DOI	10.1016/j.ucl.2017.09.013
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Article ; Online: Exploring the Effects of Wetting and Free Fatty Acid Deposition on an Atomistic Hair Fiber Surface Model Incorporating Keratin-Associated Protein 5-1.

Sanders, Jeffrey M / Coscia, Benjamin J / Fonari, Alexandr / Misra, Mayank / Mileo, Paulo G M / Giesen, David J / Browning, Andrea R / Halls, Mathew D

Langmuir : the ACS journal of surfaces and colloids

2023 Volume 39, Issue 15, Page(s) 5263–5274

Abstract: The complex development of cosmetic and medical formulations relies on an ever-growing accuracy of predictive models of hair surfaces. Hitherto, modeling efforts have focused on the description of 18-methyl eicosanoic acid (18-MEA), the primary fatty ... ...

Abstract	The complex development of cosmetic and medical formulations relies on an ever-growing accuracy of predictive models of hair surfaces. Hitherto, modeling efforts have focused on the description of 18-methyl eicosanoic acid (18-MEA), the primary fatty acid covalently attached to the hair surface, without explicit modeling of the protein layer. Herein, the molecular details of the outermost surface of the human hair fiber surface, also called the F-layer, were studied using molecular dynamics (MD) simulations. The F-layer is composed primarily of keratin-associated proteins KAP5 and KAP10, which are decorated with 18-MEA on the outer surface of a hair fiber. In our molecular model, we incorporated KAP5-1 and evaluated the surface properties of 18-MEA through MD simulations, resulting in 18-MEA surface density, layer thickness, and tilt angles in agreement with previous experimental and computational studies. Subsequent models with reduced 18-MEA surface density were also generated to mimic damaged hair surfaces. Response to wetting of virgin and damaged hair showed rearrangement of 18-MEA on the surface, allowing for water penetration into the protein layer. To demonstrate a potential use case for these atomistic models, we deposited naturally occurring fatty acids and measured 18-MEA's response in both dry and wet conditions. As fatty acids are often incorporated in shampoo formulations, this work demonstrates the ability to model the adsorption of ingredients on hair surfaces. This study illustrates, for the first time, the complex behavior of a realistic F-layer at the molecular level and opens up the possibility of studying the adsorption behavior of larger, more complex molecules and formulations.
MeSH term(s)	Humans ; Fatty Acids, Nonesterified ; Hair ; Fatty Acids ; Molecular Dynamics Simulation ; Keratins
Chemical Substances	Fatty Acids, Nonesterified ; Fatty Acids ; Keratins (68238-35-7)
Language	English
Publishing date	2023-04-04
Publishing country	United States
Document type	Journal Article
ZDB-ID	2005937-1
ISSN	1520-5827 ; 0743-7463
ISSN (online)	1520-5827
ISSN	0743-7463
DOI	10.1021/acs.langmuir.2c03063
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Article ; Online: Common genetic variants and nonalcoholic Fatty liver disease.

Browning, Jeffrey D

Clinical gastroenterology and hepatology : the official clinical practice journal of the American Gastroenterological Association

2013 Volume 11, Issue 9, Page(s) 1191–1193

MeSH term(s)	Adaptor Proteins, Signal Transducing/genetics ; Fatty Liver/genetics ; Fatty Liver/pathology ; Female ; Humans ; Lipase/genetics ; Male ; Membrane Proteins/genetics ; Polymorphism, Genetic ; Protein Phosphatase 1/genetics
Chemical Substances	Adaptor Proteins, Signal Transducing ; GCKR protein, human ; Membrane Proteins ; Lipase (EC 3.1.1.3) ; adiponutrin, human (EC 3.1.1.3) ; PPP1R3B protein, human (EC 3.1.3.16) ; Protein Phosphatase 1 (EC 3.1.3.16)
Language	English
Publishing date	2013-09
Publishing country	United States
Document type	Comment ; Editorial
ZDB-ID	2119789-1
ISSN	1542-7714 ; 1542-3565
ISSN (online)	1542-7714
ISSN	1542-3565
DOI	10.1016/j.cgh.2013.05.013
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Article ; Online: Persistent fasting lipogenesis links impaired ketogenesis with citrate synthesis in humans with nonalcoholic fatty liver.

Fu, Xiaorong / Fletcher, Justin A / Deja, Stanisław / Inigo-Vollmer, Melissa / Burgess, Shawn C / Browning, Jeffrey D

The Journal of clinical investigation

2023 Volume 133, Issue 9

Abstract: BACKGROUNDHepatic de novo lipogenesis (DNL) and β-oxidation are tightly coordinated, and their dysregulation is thought to contribute to the pathogenesis of nonalcoholic fatty liver (NAFL). Fasting normally relaxes DNL-mediated inhibition of hepatic β- ... ...

Abstract	BACKGROUNDHepatic de novo lipogenesis (DNL) and β-oxidation are tightly coordinated, and their dysregulation is thought to contribute to the pathogenesis of nonalcoholic fatty liver (NAFL). Fasting normally relaxes DNL-mediated inhibition of hepatic β-oxidation, dramatically increasing ketogenesis and decreasing reliance on the TCA cycle. Thus, we tested whether aberrant oxidative metabolism in fasting NAFL subjects is related to the inability to halt fasting DNL.METHODSForty consecutive nondiabetic individuals with and without a history of NAFL were recruited for this observational study. After phenotyping, subjects fasted for 24 hours, and hepatic metabolism was interrogated using a combination of 2H2O and 13C tracers, magnetic resonance spectroscopy, and high-resolution mass spectrometry.RESULTSWithin a subset of subjects, DNL was detectable after a 24-hour fast and was more prominent in those with NAFL, though it was poorly correlated with steatosis. However, fasting DNL negatively correlated with hepatic β-oxidation and ketogenesis and positively correlated with citrate synthesis. Subjects with NAFL but undetectable fasting DNL (25th percentile) were comparatively normal. However, those with the highest fasting DNL (75th percentile) were intransigent to the effects of fasting on the concentration of insulin, non-esterified fatty acid, and ketones. Additionally, they sustained glycogenolysis and were spared the loss of oxaloacetate to gluconeogenesis in favor of citrate synthesis, which correlated with DNL and diminished ketogenesis.CONCLUSIONMetabolic flux analysis in fasted subjects indicates that shared metabolic mechanisms link the dysregulations of hepatic DNL, ketogenesis, and the TCA cycle in NAFL.TRIAL REGISTRATIONData were obtained during the enrollment/non-intervention phase of Effect of Vitamin E on Non-Alcoholic Fatty Liver Disease, ClinicalTrials.gov NCT02690792.FUNDINGThis work was supported by the University of Texas Southwestern NORC Quantitative Metabolism Core (NIH P30DK127984), the NIH/National Institute of Diabetes and Digestive and Kidney Diseases (R01DK078184, R01DK128168, R01DK087977, R01DK132254, and K01DK133630), the NIH/National Institute on Alcohol Abuse and Alcoholism (K01AA030327), and the Robert A. Welch Foundation (I-1804).
MeSH term(s)	Humans ; Non-alcoholic Fatty Liver Disease/metabolism ; Lipogenesis/physiology ; Citric Acid ; Liver/metabolism ; Ketone Bodies/metabolism ; Citrates/metabolism ; Fasting
Chemical Substances	Citric Acid (2968PHW8QP) ; Ketone Bodies ; Citrates
Language	English
Publishing date	2023-05-01
Publishing country	United States
Document type	Observational Study ; Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	3067-3
ISSN	1558-8238 ; 0021-9738
ISSN (online)	1558-8238
ISSN	0021-9738
DOI	10.1172/JCI167442
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Article: In Vivo Estimation of Ketogenesis Using Metabolic Flux Analysis-Technical Aspects and Model Interpretation.

Deja, Stanislaw / Kucejova, Blanka / Fu, Xiaorong / Browning, Jeffrey D / Young, Jamey D / Burgess, Shawn

Metabolites

2021 Volume 11, Issue 5

Abstract: Ketogenesis occurs in liver mitochondria where acetyl-CoA molecules, derived from lipid oxidation, are condensed into acetoacetate (AcAc) and reduced to β-hydroxybutyrate (BHB). During carbohydrate scarcity, these two ketones are released into ... ...

Abstract	Ketogenesis occurs in liver mitochondria where acetyl-CoA molecules, derived from lipid oxidation, are condensed into acetoacetate (AcAc) and reduced to β-hydroxybutyrate (BHB). During carbohydrate scarcity, these two ketones are released into circulation at high rates and used as oxidative fuels in peripheral tissues. Despite their physiological relevance and emerging roles in a variety of diseases, endogenous ketone production is rarely measured in vivo using tracer approaches. Accurate determination of this flux requires a two-pool model, simultaneous BHB and AcAc tracers, and special consideration for the stability of the AcAc tracer and analyte. We describe the implementation of a two-pool model using a metabolic flux analysis (MFA) approach that simultaneously regresses liquid chromatography-tandem mass spectrometry (LC-MS/MS) ketone isotopologues and tracer infusion rates. Additionally,
Language	English
Publishing date	2021-04-28
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2662251-8
ISSN	2218-1989
ISSN	2218-1989
DOI	10.3390/metabo11050279
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Article ; Online: Persistent fasting lipogenesis links impaired ketogenesis with citrate synthesis in humans with nonalcoholic fatty liver

Xiaorong Fu / Justin A. Fletcher / Stanisław Deja / Melissa Inigo-Vollmer / Shawn C. Burgess / Jeffrey D. Browning

The Journal of Clinical Investigation, Vol 133, Iss

2023 Volume 9

Abstract: BACKGROUND Hepatic de novo lipogenesis (DNL) and β-oxidation are tightly coordinated, and their dysregulation is thought to contribute to the pathogenesis of nonalcoholic fatty liver (NAFL). Fasting normally relaxes DNL-mediated inhibition of hepatic β- ... ...

Abstract	BACKGROUND Hepatic de novo lipogenesis (DNL) and β-oxidation are tightly coordinated, and their dysregulation is thought to contribute to the pathogenesis of nonalcoholic fatty liver (NAFL). Fasting normally relaxes DNL-mediated inhibition of hepatic β-oxidation, dramatically increasing ketogenesis and decreasing reliance on the TCA cycle. Thus, we tested whether aberrant oxidative metabolism in fasting NAFL subjects is related to the inability to halt fasting DNL.METHODS Forty consecutive nondiabetic individuals with and without a history of NAFL were recruited for this observational study. After phenotyping, subjects fasted for 24 hours, and hepatic metabolism was interrogated using a combination of 2H2O and 13C tracers, magnetic resonance spectroscopy, and high-resolution mass spectrometry.RESULTS Within a subset of subjects, DNL was detectable after a 24-hour fast and was more prominent in those with NAFL, though it was poorly correlated with steatosis. However, fasting DNL negatively correlated with hepatic β-oxidation and ketogenesis and positively correlated with citrate synthesis. Subjects with NAFL but undetectable fasting DNL (25th percentile) were comparatively normal. However, those with the highest fasting DNL (75th percentile) were intransigent to the effects of fasting on the concentration of insulin, non-esterified fatty acid, and ketones. Additionally, they sustained glycogenolysis and were spared the loss of oxaloacetate to gluconeogenesis in favor of citrate synthesis, which correlated with DNL and diminished ketogenesis.CONCLUSION Metabolic flux analysis in fasted subjects indicates that shared metabolic mechanisms link the dysregulations of hepatic DNL, ketogenesis, and the TCA cycle in NAFL.TRIAL REGISTRATION Data were obtained during the enrollment/non-intervention phase of Effect of Vitamin E on Non-Alcoholic Fatty Liver Disease, ClinicalTrials.gov NCT02690792.FUNDING This work was supported by the University of Texas Southwestern NORC Quantitative Metabolism Core (NIH P30DK127984), the ...
Keywords	Endocrinology ; Hepatology ; Medicine ; R
Subject code	571
Language	English
Publishing date	2023-05-01T00:00:00Z
Publisher	American Society for Clinical Investigation
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed formulations.

Coscia, Benjamin J / Shelley, John C / Browning, Andrea R / Sanders, Jeffrey M / Chaudret, Robin / Rozot, Roger / Léonforte, Fabien / Halls, Mathew D / Luengo, Gustavo S

Physical chemistry chemical physics : PCCP

2023 Volume 25, Issue 3, Page(s) 1768–1780

Abstract: The substitution of natural, bio-based and/or biodegradable polymers for those of petrochemical origin in consumer formulations has become an active area of research and development as the sourcing and destiny of material components becomes a more ... ...

Abstract	The substitution of natural, bio-based and/or biodegradable polymers for those of petrochemical origin in consumer formulations has become an active area of research and development as the sourcing and destiny of material components becomes a more critical factor in product design. These polymers often differ from their petroleum-based counterparts in topology, raw material composition and solution behaviour. Effective and efficient reformulation that maintains comparable cosmetic performance to existing products requires a deep understanding of the differences in frictional behaviour between polymers as a function of their molecular structure. In this work, we simulate the tribological behaviour of three topologically distinct polymers in solution with surfactants and in contact with hair-biomimetic patterned surfaces. We compare a generic functionalized polysaccharide to two performant polymers used in shampoo formulations: a strongly positively charged polyelectrolyte and a zwitterionic copolymer. Topological differences are expected to affect rheological properties, as well as their direct interaction with structured biological substrates. Using a refined Martini-style coarse-grained model we describe the polymer-dependent differences in aggregation behaviour as well as selective interactions with a biomimetic model hair surface. Additionally, we introduce a formalism to characterize the response of the solution to shear as an initial study on lubrication properties, which define the sensorial performance of these systems in cosmetics (
MeSH term(s)	Friction ; Biomimetics ; Polymers/chemistry ; Surface-Active Agents/chemistry ; Polyelectrolytes
Chemical Substances	Polymers ; Surface-Active Agents ; Polyelectrolytes
Language	English
Publishing date	2023-01-18
Publishing country	England
Document type	Journal Article
ZDB-ID	1476244-4
ISSN	1463-9084 ; 1463-9076
ISSN (online)	1463-9084
ISSN	1463-9076
DOI	10.1039/d2cp05465e
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Article ; Online: Measurement of lipogenic flux by deuterium resolved mass spectrometry.

Fu, Xiaorong / Deja, Stanisław / Fletcher, Justin A / Anderson, Norma N / Mizerska, Monika / Vale, Gonçalo / Browning, Jeffrey D / Horton, Jay D / McDonald, Jeffrey G / Mitsche, Matthew A / Burgess, Shawn C

Nature communications

2021 Volume 12, Issue 1, Page(s) 3756

Abstract: De novo lipogenesis (DNL) is disrupted in a wide range of human disease. Thus, quantification of DNL may provide insight into mechanisms and guide interventions if it can be performed rapidly and noninvasively. DNL flux is commonly measured ... ...

Abstract	De novo lipogenesis (DNL) is disrupted in a wide range of human disease. Thus, quantification of DNL may provide insight into mechanisms and guide interventions if it can be performed rapidly and noninvasively. DNL flux is commonly measured by
MeSH term(s)	Animals ; Deuterium/chemistry ; Fatty Acids/biosynthesis ; Gas Chromatography-Mass Spectrometry/methods ; Lipogenesis/physiology ; Liver/metabolism ; Male ; Mice ; Mice, Inbred C57BL ; Triglycerides/biosynthesis
Chemical Substances	Fatty Acids ; Triglycerides ; Deuterium (AR09D82C7G)
Language	English
Publishing date	2021-06-18
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/s41467-021-23958-4
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