72,227 results match your criteria: "Department of Chemistry Texas A&M University College Station TX 77843 USA.[Affiliation]"
Nanoscale Horiz
January 2025
Department of Chemical Engineering, Hampton University, Hampton, VA 23668, USA.
In this work, we use experimental and theoretical techniques to study the origin of the boosted hydrogen evolution reaction (HER) catalytic activity of two pyridyl-pyrrolidine functionalized C fullerenes. Notably, the mono-(pyridyl-pyrrolidine) penta-adduct of C has exhibited a remarkable HER catalytic activity as a metal-free catalyst, delivering an overpotential () of 75 mV RHE and a very low onset potential of -45 mV RHE. This work addresses fundamental questions about how functionalization on C changes the electron density on fullerene cages for high-performance HER electrocatalysis.
View Article and Find Full Text PDFChem Biodivers
January 2025
GRT College of Education, Department of Pharmaceutical Chemistry, Tiruttani 631209, Tiruttani, INDIA.
Maternal Embryonic Leucine Zipper Kinase (MELK), a pivotal signaling protein, plays a crucial role in various physiological processes such as cell growth, survival, and differentiation. There is currently a growing interest in MELK as a promising therapeutic target for multiple cancers, including triple-negative breast cancer (TNBC). Exploring MELK as a target offers a prospective strategy to impede cancer progression and enhance the efficacy of conventional anticancer therapies.
View Article and Find Full Text PDFProtein Sci
February 2025
Department of Chemistry, Institute of Biochemistry, BOKU University, Vienna, Austria.
Prokaryotic heme biosynthesis in Gram-positive bacteria follows the coproporphyrin-dependent heme biosynthesis pathway. The last step in this pathway is catalyzed by the enzyme coproheme decarboxylase, which oxidatively transforms two propionate groups into vinyl groups yielding heme b. The catalytic reaction cycle of coproheme decarboxylases exhibits four different states: the apo-form, the substrate (coproheme)-bound form, a transient three-propionate intermediate form (monovinyl, monopropionate deuteroheme; MMD), and the product (heme b)-bound form.
View Article and Find Full Text PDFProtein Sci
February 2025
Cell Physiology and Molecular Biophysics Department, Center for Membrane Protein Research, Texas Tech University Health Sciences Center, Lubbock, Texas, USA.
Purifying membrane proteins has been the limiting step for studying their structure and function. The challenges of the process include the low expression levels in heterologous systems and the requirement for their biochemical stabilization in solution. The human voltage-gated proton channel (hH1) is a good example of that: the published protocols to express and purify hH1 produce low protein quantities at high costs, which is an issue for systematically characterizing its structure and function.
View Article and Find Full Text PDFProtein Sci
February 2025
Department of Physics, University of Washington, Seattle, Washington, USA.
Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium-binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes.
View Article and Find Full Text PDFProtein Sci
February 2025
Department of Microbiology, Immunology and Infectious Diseases, University of Calgary, Calgary, Alberta, Canada.
Polymyxins are last-resort antimicrobial peptides administered clinically against multi-drug resistant bacteria, specifically in the case of Gram-negative species. However, an increasing number of these pathogens employ a defense strategy that involves a relay of enzymes encoded by the pmrE (ugd) loci and the arnBCDTEF operon. The pathway modifies the lipid-A component of the outer membrane (OM) lipopolysaccharide (LPS) by adding a 4-amino-4-deoxy-l-arabinose (L-Ara4N) headgroup, which renders polymyxins ineffective.
View Article and Find Full Text PDFMetabolomics
January 2025
Department of Biostatistics, Epidemiology and Informatics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA, USA.
Background: Gestational exposure to non-persistent endocrine-disrupting chemicals (EDCs) may be associated with adverse pregnancy outcomes. While many EDCs affect the endocrine system, their effects on endocrine-related metabolic pathways remain unclear. This study aims to explore the global metabolome changes associated with EDC biomarkers at delivery.
View Article and Find Full Text PDFSci Data
January 2025
Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
As the occurrence of human diseases and conditions increase, questions continue to arise about their linkages to chemical exposure, especially for per-and polyfluoroalkyl substances (PFAS). Currently, many chemicals of concern have limited experimental information available for their use in analytical assessments. Here, we aim to increase this knowledge by providing the scientific community with multidimensional characteristics for 175 PFAS and their resulting 281 ion types.
View Article and Find Full Text PDFJ Immunother Cancer
January 2025
Section of Nephrology, Division of Internal Medicine, The University of Texas MD Anderson Cancer Center, Houston, Texas, USA
Immune checkpoint inhibitor (ICI) therapy is a cornerstone treatment for many cancers, but it can induce severe immunotoxicity, including acute interstitial nephritis (AIN). Currently, kidney biopsy is required to differentiate ICI-AIN from other causes of acute kidney injury (AKI). However, this invasive approach can lead to morbidity, delayed glucocorticoid treatment for patients with AIN, and unnecessarily prolonged suspension of ICI therapy in non-AIN patients.
View Article and Find Full Text PDFJ Inorg Biochem
January 2025
Department of Chemistry, The University of Texas at Austin, Austin, TX 78712, USA. Electronic address:
Due to its commercial availability and well-defined structure, the interaction between bovine protein β-lactoglobulin (βLG) and a wide variety of non-native ligands - including transition metal complexes - has been explored, but its application as an artificial metalloenzyme scaffold is limited. This protein is hypothesized to transport fatty acids and other nutrients during juvenile development, and it binds hydrophobic ligands inside a binding pocket constructed upon an 8-stranded β-barrel, called the 'calyx'. Herein, we compare the binding behavior of two rhenium(anthracene-bispyridine) ('Anth-py') tricarbonyl complexes, one with a 12‑carbon chain appended to the ligand scaffold ('Anth-py') to βLG.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, United States.
Continuous production of entropy and the corresponding energy dissipation is a defining characteristic of nonequilibrium systems. When a system's full chemical kinetic description is known, its entropy production rate can be computed from the microscopic rate constants. However, such a calculation typically underestimates energy dissipation when the states of the underlying system are mesoscopic, i.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, China.
A small but growing set of radical SAM (-adenosyl-l-methionine) enzymes catalyze the radical mediated dehydration or dehydrogenation of 1,2-diol substrates. In some cases, these activities can be interchanged via minor structural perturbations to the reacting components raising questions regarding the relative importance of hyperconjugation, proton circulation and leaving group stability in determining the reaction outcome. The present work describes trapping and electron paramagnetic resonance (EPR) characterization of an α-hydroxyalkyl radical intermediate during dehydration and dehydrogenation of cytosylglucuronic acid and its derivatives catalyzed by the radical SAM enzyme BlsE and its Glu189Ala mutant from the blasticidin S biosynthetic pathway.
View Article and Find Full Text PDFNutrients
January 2025
Department of Dermatology, Weill Cornell Medicine, New York City, NY 10021, USA.
Vitiligo is a chronic autoimmune pigmentation disorder shaped by a complex interplay of genetic predispositions and environmental triggers. While conventional therapies-phototherapy, corticosteroids, and immunosuppressants-can be effective, their benefits are often partial and temporary, with recurrence common once treatment stops. As such, there is increasing interest in exploring complementary approaches that may offer a more sustainable impact.
View Article and Find Full Text PDFPharmaceuticals (Basel)
January 2025
Department of Nutrition, Institute of Basic Medical Sciences, Faculty of Medicine, University of Oslo, 0317 Oslo, Norway.
Cytokine-mediated inflammation is increasingly recognized for playing a vital role in the pathophysiology of a wide range of brain disorders, including neurodegenerative, psychiatric, and neurodevelopmental problems. Pro-inflammatory cytokines such as interleukin-1 (IL-1), tumor necrosis factor-alpha (TNF-α), and interleukin-6 (IL-6) cause neuroinflammation, alter brain function, and accelerate disease development. Despite progress in understanding these pathways, effective medicines targeting brain inflammation are still limited.
View Article and Find Full Text PDFSensors (Basel)
January 2025
United States Department of Agriculture-Agriculture Research Service, Grassland Soil and Water Research Laboratory, Temple, TX 76502, USA.
Efficient and reliable corn ( L.) yield prediction is important for varietal selection by plant breeders and management decision-making by growers. Unlike prior studies that focus mainly on county-level or controlled laboratory-scale areas, this study targets a production-scale area, better representing real-world agricultural conditions and offering more practical relevance for farmers.
View Article and Find Full Text PDFMolecules
January 2025
Blood and Shock Research, US Army Institute of Surgical Research, JBSA Fort Sam Houston, San Antonio, TX 78234, USA.
Conjugation of short-chain fatty acids (SDFAs) to amines containing ring structures allows for better measurement by liquid chromatography tandem mass spectroscopy (LC-MS/MS). However, collision-induced dissociation (CID) results in breaking the conjugate back to the original SCFA and amine. We therefore set out to find an amine that would remain on the SCFA after CID and create a unique daughter for selectivity of measurement.
View Article and Find Full Text PDFMolecules
January 2025
Department of Chemistry, Texas A&M University, College Station, TX 77842-3012, USA.
Five representatives of a novel type of di(hydroperoxy)alkane adducts of phosphine oxides have been synthesized and fully characterized, including their solubility in organic solvents. The phosphine oxide CyPO () has been used in combination with the corresponding aldehydes to create the adducts CyPO·(HOO)CHCH (), CyPO·(HOO)CHCHCH (), CyPO·(HOO)CH(CH)CH (), CyPO·(HOO)CH(CH)CH (), and CyPO·(HOO)CH(CH)CH (). All adducts crystallize easily and contain the peroxide and phosphine oxide hydrogen-bonded in 1:1 ratios.
View Article and Find Full Text PDFMolecules
January 2025
Department of Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China.
Direct methods based on iterative projection algorithms can determine protein crystal structures directly from X-ray diffraction data without prior structural information. However, traditional direct methods often converge to local minima during electron density iteration, leading to reconstruction failure. Here, we present an enhanced direct method incorporating genetic algorithms for electron density modification in real space.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Milano, Via Luigi Mangiagalli, 25, 20133 Milan, Italy.
The widespread emergence of antimicrobial resistance (AMR) is a serious threat to global public health and among Gram-positive cocci, constitutes a priority in the list of AMR-threatening pathogens. To counteract this fundamental problem, the bacterial cell division cycle and the crucial proteins involved in this process emerged as novel attractive targets. FtsZ is an essential cell division protein, and FtsZ inhibitors, especially the benzamide derivatives, have been exploited in the last decade.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
State Key Laboratory for Conservation and Utilization of Bio-Resources in Yunnan and School of Life Sciences, Yunnan University, Kunming 650091, China.
The human transmembrane protease, serine 2 (TMPRSS2), essential for SARS-CoV-2 entry, is a key antiviral target. Here, we computationally profiled the TMPRSS2-binding affinities of 15 antiviral compounds. Molecular dynamics (MD) simulations for the docked complexes revealed that three compounds exited the substrate-binding cavity (SBC), suggesting noncompetitive inhibition.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Department of Physics and Astronomy, Texas Christian University, Fort Worth, TX 76129, USA.
We report a comprehensive investigation of the photophysical properties of Hoechst 33258 (HOE) embedded in polyvinyl alcohol (PVA) films. HOE displays a bright, highly polarized, blue fluorescence emission centered at 430 nm, indicating effective immobilization within the polymer matrix of PVA. Its fluorescence quantum yield is notably high (~0.
View Article and Find Full Text PDFNat Methods
January 2025
Statistical Center for Single-Cell and Spatial Genomics, Department of Biostatistics, Epidemiology and Informatics, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA, USA.
Nutr Res
January 2025
Department of Molecular Medicine, University of Padova, Padova, Italy; IMDEA-Food, Madrid, Spain. Electronic address:
l-Theanine is a unique non-protein amino acid found abundantly in tea leaves. Interest in its potential use as a dietary supplement has surged recently, especially claims related to promoting relaxation and cognitive enhancement. This review surveys the chemistry, metabolism, and purported biological activities of l-theanine.
View Article and Find Full Text PDFBiochemistry
January 2025
Department of Chemistry, Texas A&M University, College Station, Texas 77842, United States.
The exterior surface of the human pathogen is coated with a capsular polysaccharide (CPS) that consists of a repeating sequence of 2-5 different sugars that can be modified with various molecular decorations. In the HS:2 serotype from strain NCTC 11168, the repeating unit within the CPS is composed of d-ribose, -acetyl-d-galactosamine, and a d-glucuronic acid that is further amidated with either serinol or ethanolamine. The d-glucuronic acid moiety is also decorated with d-glycero-l-gluco-heptose.
View Article and Find Full Text PDFBiochemistry
January 2025
Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
is the leading cause of food poisoning in Europe and North America. The exterior surface of this bacterium is encased by a capsular polysaccharide that is attached to a diacyl glycerol phosphate anchor via a poly-Kdo (3-deoxy-d--oct-2-ulosinic acid) linker. In the HS:2 serotype of NCTC 11168, the repeating trisaccharide consists of d-ribose, -acetyl-d-glucosamine, and d-glucuronate.
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