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Search Results (538)

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27 pages, 1181 KB  
Review
Epigenetic Modulation of Exercise Adaptation: The Role of Dietary Supplementation in Athletic Performance
by Agata Leońska-Duniec, Paulina Małkowska and Marek Sawczuk
Genes 2026, 17(6), 618; https://doi.org/10.3390/genes17060618 - 29 May 2026
Viewed by 235
Abstract
In high-performance sport, even small improvements in adaptation and recovery may influence competitive outcomes, increasing interest in molecular mechanisms that regulate training responses. Epigenetic processes represent a dynamic interface between exercise, nutrition, and long-term athletic adaptation. This narrative review summarizes current data on [...] Read more.
In high-performance sport, even small improvements in adaptation and recovery may influence competitive outcomes, increasing interest in molecular mechanisms that regulate training responses. Epigenetic processes represent a dynamic interface between exercise, nutrition, and long-term athletic adaptation. This narrative review summarizes current data on how dietary supplementation may modulate exercise-induced epigenetic remodeling and influence performance and recovery, focusing on mechanisms such as DNA methylation, histone modifications, and non-coding RNAs, as well as key nutrient groups with potential epigenetic activity, including polyphenols, omega-3 fatty acids, methyl donors, and selected vitamins. Evidence identified through targeted literature searches across major scientific databases indicates that several bioactive compounds can affect epigenetic pathways relevant to exercise adaptation. These mechanisms appear to modulate processes central to performance and recovery, including inflammation control, mitochondrial function, metabolic regulation, and tissue repair. Available evidence from multi-nutrient and combined exercise–nutrition interventions suggests potentially complementary effects on epigenetic regulation; however, human evidence remains limited and mechanistic interpretations should be considered preliminary. Overall, epigenetically informed supplementation offers a promising yet still developing approach and should be considered an adjunct to evidence-based training programs, balanced nutrition, and adequate recovery rather than a standalone performance-enhancing strategy. Full article
(This article belongs to the Special Issue Feature Papers: Molecular Genetics and Genomics 2026)
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13 pages, 535 KB  
Article
Maternal Methyl-Group Donor Intake and Neonatal Birth Size in Singleton IVF Pregnancies
by Szilvia Bokor, Regina Felső, Ildikó Csölle, Tícia Oláh, Noémi Szabó, Róbert Herczeg, Attila Gyenesei, Reka Anna Vass, Simone Funke, Tibor Ertl and Dénes Molnár
Nutrients 2026, 18(11), 1693; https://doi.org/10.3390/nu18111693 - 26 May 2026
Viewed by 214
Abstract
Background/Objectives: Maternal intake of methyl-group donors (MGD) during pregnancy may influence fetal development, yet its role in in vitro fertilization (IVF) pregnancies remains poorly understood. The aim of the present study was to investigate maternal intake of MGDs during late pregnancy and [...] Read more.
Background/Objectives: Maternal intake of methyl-group donors (MGD) during pregnancy may influence fetal development, yet its role in in vitro fertilization (IVF) pregnancies remains poorly understood. The aim of the present study was to investigate maternal intake of MGDs during late pregnancy and its association with neonatal outcomes in IVF versus spontaneously (S) conceived pregnancies. Methods: We assessed third-trimester, daily maternal intake of MGD (folate, betaine, choline, methionine, and folic acid) using a validated food-frequency questionnaire, and maternal supplement intake using a structured questionnaire. Methyl-donor nutrient score (MDNS) was calculated based on deciles of MGD intake. Serum folic acid and vitamin B12 concentrations were measured using standardized immunochemical assay. Predefined inclusion and exclusion criteria were applied. Anthropometric data were measured from singleton newborns (weight, length, head- and waist circumference, body composition) and mothers (height, weight, body composition) after delivery. Statistical analysis was conducted using R (4.1.2v). Results: 265 mother–child pairs were included in the study (IVF n = 83). Daily dietary intake of MGDs was similar between groups, but IVF mothers reported significantly higher daily folic acid (668.7 ± 1050.9 vs. 418.8 ± 419.2 µg, p = 0.0034) and vitamin B12 (11.07 ± 31.58 vs. 7.95 ± 29.00 µg, p = 0.0078) supplementation. Serum analyses were available in a subgroup (n = 131, IVF n = 61) of mothers, showing higher postpartum folate (IVF: 10.96 ± 5.54 vs. S: 8.29 ± 4.72 µg/L, p = 0.0064) and vitamin B12 (IVF: 288.22 ± 113.82 vs. S: 233.70 ± 78.23 ng/L, p = 0.0053). Maternal daily dietary choline intakes were significantly below recommendations (IVF: 251.9 ± 98.5 mg, S: 243.8 ± 106.8 mg). Among 151 singleton neonates (IVF n = 57), anthropometric parameters did not differ between IVF and spontaneously conceived groups and were not associated with MDNS tertiles. Conclusions: Maternal MGD intake during third trimester of pregnancy was not associated with neonatal anthropometric outcomes in singleton pregnancies. Consistently low dietary choline intake highlights a potential nutritional gap warranting improved dietary guidance and supplementation strategies. Full article
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18 pages, 6767 KB  
Article
Establishment and Performance Evaluation of a Multiplexed TET2–APOBEC-Mediated cfDNA Methylation Detection Workflow Using qPCR and dPCR Readouts
by Almudena Aguilera-Diaz, Philip B. Feinberg, Jianmin Huang, Eugene Spier, Francis Barany and Manny D. Bacolod
J. Pers. Med. 2026, 16(5), 269; https://doi.org/10.3390/jpm16050269 - 18 May 2026
Viewed by 365
Abstract
Background/Objectives: Bisulfite-based cell-free DNA (cfDNA) methylation assays enable the detection of clinically valuable epigenetic biomarkers but often cause DNA degradation and inconsistent conversion efficiency, limiting performance in low-input liquid biopsy samples. We aimed to develop and evaluate a fully enzymatic cfDNA methylation [...] Read more.
Background/Objectives: Bisulfite-based cell-free DNA (cfDNA) methylation assays enable the detection of clinically valuable epigenetic biomarkers but often cause DNA degradation and inconsistent conversion efficiency, limiting performance in low-input liquid biopsy samples. We aimed to develop and evaluate a fully enzymatic cfDNA methylation workflow that preserves DNA integrity and supports quantitative clinical detection. Methods: The assay integrates TET2-mediated oxidation and APOBEC3A deamination with RNase H2-guided primer design, uracil-DNA glycosylase error suppression, and dual-probe detection compatible with quantitative PCR (qPCR) and digital PCR (dPCR). Performance was assessed using serial dilutions of methylated HT29 DNA, unmethylated controls, and plasma cfDNA from colorectal cancer (CRC) patients and healthy donors. Analytical sensitivity, linearity, and concordance between platforms were evaluated. Results: The 40-marker panel demonstrated higher cumulative methylation scores and more frequent methylation-positive signals in CRC cfDNA compared to controls. dPCR confirmed single-molecule resolution and clear discrimination between methylated and unmethylated templates, with occasional double-positive partitions consistent with mixed allelic methylation. Signal intensity across the dilution series followed a four-parameter logistic model, achieving detection sensitivity below 0.2% methylated DNA. qPCR and dPCR results showed strong correlation across the HT29 dilution series (R2 = 0.80) and high concordance in classifying CRC and healthy samples. Conclusions: This TET2–APOBEC-based enzymatic cfDNA assay enables sensitive, quantitative, sequencing-free methylation detection under gentle conditions, supporting its application in early colorectal cancer screening and routine clinical liquid biopsy workflows. Full article
(This article belongs to the Special Issue Liquid Biopsy: Basic Research and Clinical Utility)
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20 pages, 5330 KB  
Review
Epigenetic Drift and the Generational Limit of Serial Somatic Cell Nuclear Transfer in Pigs
by Na Cheng, Muhammad Ameen Jamal, Helin Li, Mingjin Li, Qiue Xu, Hong-Jiang Wei and Wenmin Cheng
Animals 2026, 16(10), 1533; https://doi.org/10.3390/ani16101533 - 17 May 2026
Viewed by 579
Abstract
Somatic cell nuclear transfer (SCNT) in pigs has been a widely used technique for producing gene-edited pigs for biomedical research, yet its wide-spread application through serial cloning remains markedly limited. Unlike in mice, where the serial cloning can be sustained across numerous generations, [...] Read more.
Somatic cell nuclear transfer (SCNT) in pigs has been a widely used technique for producing gene-edited pigs for biomedical research, yet its wide-spread application through serial cloning remains markedly limited. Unlike in mice, where the serial cloning can be sustained across numerous generations, in pigs it is usually limited to only a few rounds. Specifically, porcine serial cloning has not been reported beyond three consecutive generations in live-born offspring, with blastocyst development rates declining from approximately 4.4% in G1 to 1–5% in G2–G3, and live-birth cloning efficiency (offspring/recipient) dropping sharply with each successive round. Compelling evidence suggests that cumulative epigenetic instability, incomplete embryo genome activation, DNA methylation reprogramming, persistent donor-cell memory, and imprinting disruption collectively erode transcriptional integrity across generations. Although several manipulations, including epigenetic modifiers, transiently improved the early development, they failed to sustain the reprogramming across several generations. Here, we synthesize comparative advances in serial cloning across species and propose that species-specific differences in chromatin plasticity and cytoplasmic reprogramming capacity define a porcine “reprogramming ceiling”. Deciphering and overcoming this barrier will be critical for advancing sustainable livestock engineering, xenotransplantation and translational medicine biotechnology. Full article
(This article belongs to the Section Animal Reproduction)
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25 pages, 11535 KB  
Article
Selective Screening of Efficient Chalcopyrite Depressants and Their Mechanisms in Copper–Molybdenum Separation
by Lujing Liang, Jianhua Chen and Anruo Luo
Minerals 2026, 16(5), 535; https://doi.org/10.3390/min16050535 - 16 May 2026
Viewed by 172
Abstract
Molybdenum (Mo) is a strategic raw material for high-end equipment manufacturing, aerospace technologies, and advanced alloys, and approximately 50% of global molybdenum resources are hosted in porphyry Cu–Mo deposits. To address the long-standing challenge of selectively separating chalcopyrite and molybdenite by flotation, this [...] Read more.
Molybdenum (Mo) is a strategic raw material for high-end equipment manufacturing, aerospace technologies, and advanced alloys, and approximately 50% of global molybdenum resources are hosted in porphyry Cu–Mo deposits. To address the long-standing challenge of selectively separating chalcopyrite and molybdenite by flotation, this study screened five sulfur-containing organic depressants and investigated their effects on the flotation responses of the two minerals, motivated by the strong affinity of sulfur donor atoms for surface Cu sites on chalcopyrite. The results indicate that thiomalic acid, 4-hydroxythiobenzamide, and 6-methyl-2-thiouracil markedly depress chalcopyrite flotation, whereas 2-(methylthio)acetic acid and N-phenylthiourea exert only minor effects. In contrast, none of the five reagents significantly affects the floatability of molybdenite. Among these depressants, thiomalic acid exhibited the best selectivity. In practical Cu–Mo bulk concentrate flotation, it showed a clear dosage advantage at low addition levels and improved Cu–Mo separation performance; at a Mo recovery of 76.09% and a Mo grade of 5.45%, Cu recovery was reduced to 9.54%. The adsorption mechanism of thiomalic acid on chalcopyrite was further investigated using FT-IR spectroscopy, X-ray photoelectron spectroscopy, and self-consistent charge density-functional tight-binding (SCC-DFTB) calculations. The results suggest that thiomalic acid interacts strongly with surface Cu sites on chalcopyrite via its S- and O-containing functional groups, likely increasing surface hydrophilicity and inhibiting collector adsorption (and subsequent bubble attachment), thereby contributing to selective chalcopyrite depression. Full article
(This article belongs to the Collection Flotation Theory and Technology)
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25 pages, 773 KB  
Review
Nutrient-Sensitive Epigenetic Modifiers as Candidate Biomarkers of Metabolic Dysfunction in Obesity: A Nutrigenomic Review
by Diana Rodríguez-Vera, Manuel Abraham Gómez-Martínez, Mildred Valeria Herrera-Picazo, Liliana Anguiano Robledo, Cecilia Tufiño, Claudia C. Bustamante-Tenorio, Marvin A. Soriano-Ursúa, Ángel Morales-González, Eduardo Osiris Madrigal-Santillán, Arely Vergara-Castañeda and José Antonio Morales-González
Int. J. Mol. Sci. 2026, 27(10), 4372; https://doi.org/10.3390/ijms27104372 - 14 May 2026
Viewed by 455
Abstract
Obesity is a complex metabolic disorder resulting from interactions among genetic, environmental, and dietary factors. Traditional clinical markers may provide limited insight into the biochemical mechanisms that link nutrition and metabolic dysfunction; in this context, the epigenetic mechanisms through which nutrients modulate gene [...] Read more.
Obesity is a complex metabolic disorder resulting from interactions among genetic, environmental, and dietary factors. Traditional clinical markers may provide limited insight into the biochemical mechanisms that link nutrition and metabolic dysfunction; in this context, the epigenetic mechanisms through which nutrients modulate gene expression are central to understanding metabolic homeostasis. This review summarizes the published evidence on nutrient-driven epigenetic processes in obesity, focusing on DNA methyl donors, such as folate, vitamin B12, choline, betaine, serine, and methionine, and their effects on methylation and DNA methyltransferase activity. Metabolites such as acetyl-CoA, NAD+, and short-chain fatty acids (SCFAs) can also influence histone modifications, while diet-responsive microRNAs can regulate networks involved in adipogenesis, lipid metabolism, inflammation, and insulin signaling. Recent studies have identified epigenetic signatures associated with adiposity and metabolic traits, many of which are linked to the risk of cardiometabolic disease. This review is structured around the concept that nutrient-sensitive epigenetic mechanisms act as candidate biomarkers, linking dietary exposure to metabolic dysfunction. Recent evidence supports the idea that nutrient–epigenetic variation could complement traditional metabolic evaluations by offering mechanistic insight and translational direction. These findings suggest that nutrient-sensitive epigenetic mechanisms are biologically plausible candidate biomarker layers; however, their clinical implementation is currently limited by issues including tissue specificity, reproducibility, and the need for prospective validation. Full article
(This article belongs to the Section Molecular Biology)
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18 pages, 3080 KB  
Article
Atomistic Insights on Interactions Between Sulfur-Containing Pollutants and PMMA: A Semiempirical, DFT, SAPT and Molecular Dynamics Study
by Dušica Krunić, Stevan Armaković, Maria M. Savanović and Sanja J. Armaković
Polymers 2026, 18(10), 1199; https://doi.org/10.3390/polym18101199 - 14 May 2026
Viewed by 380
Abstract
The increasing emission of harmful gases into the atmosphere represents a major environmental challenge, driving the need for efficient air purification materials. Poly(methyl methacrylate) (PMMA) has emerged as a promising candidate due to its favorable physicochemical properties and adsorption potential. In this study, [...] Read more.
The increasing emission of harmful gases into the atmosphere represents a major environmental challenge, driving the need for efficient air purification materials. Poly(methyl methacrylate) (PMMA) has emerged as a promising candidate due to its favorable physicochemical properties and adsorption potential. In this study, the interactions between PMMA and selected sulfur-containing pollutants (CH3SH, COS, CS2, H2S, and SO2) were systematically investigated using a multiscale computational approach. Initial structural exploration was performed using extended tight-binding (xTB) methods, followed by refinement at the density functional theory (DFT) level, while molecular dynamics (MD) simulations were employed to capture the dynamic behavior of the systems. The results suggest that all investigated gases exhibit attractive interactions with PMMA, with interaction strength strongly dependent on molecular polarity and electronic structure. Among the studied systems, SO2 shows the strongest binding, while CS2 exhibits the weakest interaction. Energy decomposition based on symmetry-adapted perturbation theory (SAPT) and electronic structure analyses suggest that electrostatic and donor–acceptor interactions play a dominant role for strongly interacting systems, whereas weaker interactions are primarily governed by dispersion forces. Full article
(This article belongs to the Section Polymer Physics and Theory)
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21 pages, 4092 KB  
Article
Choline and Choline-Related Metabolites in Pediatric Short Bowel Syndrome
by Johannes Hilberath, Anna Shunova, Lena Heister, Christian F. Poets and Wolfgang Bernhard
Nutrients 2026, 18(10), 1553; https://doi.org/10.3390/nu18101553 - 14 May 2026
Viewed by 289
Abstract
Background: Choline is an essential nutrient crucial for liver function. It is required for bile and lipoprotein secretion and the synthesis of both phosphatidylcholine (PC) to ensure tissue homeostasis and betaine as a methyl donor. Choline deficiency has been implicated in the [...] Read more.
Background: Choline is an essential nutrient crucial for liver function. It is required for bile and lipoprotein secretion and the synthesis of both phosphatidylcholine (PC) to ensure tissue homeostasis and betaine as a methyl donor. Choline deficiency has been implicated in the pathogenesis of intestinal failure-associated liver disease (IFALD), with the strongest evidence for its contribution to hepatic steatosis in patients with short bowel syndrome (SBS). Contributing factors are (1) an impaired recycling of choline from bile PC, leading to fecal choline losses; (2) small bowel bacterial overgrowth resulting in choline degradation prior to absorption; and (3) parenteral nutrition (PN) insufficient to meet choline requirements. However, data on choline status and its metabolites in pediatric patients with SBS are scarce. Objective: To investigate plasma levels of choline and choline-related metabolites in children with SBS and evaluate differences according to PN dependency and the presence of hepatic steatosis. Methods: Retrospective analysis of data from SBS patients managed at our intestinal rehabilitation program between March 2021 and July 2025. Target parameters in plasma samples were measured using tandem mass spectrometry. Statistical analysis and group comparison of laboratory and clinical data were performed. Results: A total of 127 samples from 80 children with SBS (0.2–17.9 years) were analyzed. Plasma choline, betaine, and PC concentrations were low, with 25% of patients showing markedly reduced choline and betaine levels below 6.4 µmol/L and 16 µmol/L, respectively. TMAO concentrations, indicating bacterial choline degradation, showed extreme variability (0–30 µmol; normal < 3 µmol/L), being inversely correlated with plasma choline levels. PC subgroups containing eicosapentaenoic acid and docosahexaenoic acid were increased in patients receiving PN. However, the only difference between steatotic and non-steatotic patients was the decreased plasma concentrations of both choline and betaine. Conclusions: Patients with SBS, with and without PN, are at risk of choline and betaine deficiency, which is associated with IFALD-steatosis. Controlled trials on choline supplementation in pediatric patients with SBS are warranted. Full article
(This article belongs to the Section Pediatric Nutrition)
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42 pages, 1030 KB  
Review
S-Methylmethionine (Vitamin U): A Critical Narrative Review of Pharmacological Mechanisms, Evidence Levels, and Translational Barriers
by Arsen A. Ananian, Tatiana Z. Zelenina, Olga I. Stepanova, Anna A. Popova, Zurab T. Bagatelia, Svetlana I. Kosenkova, Grigory Yu. Evzikov, Boris B. Sysuev, Galina E. Brkich, Natalia V. Pyatigorskaya, Yuriy L. Vasil’ev and Elena O. Bakhrushina
Pharmaceuticals 2026, 19(5), 743; https://doi.org/10.3390/ph19050743 - 8 May 2026
Viewed by 669
Abstract
S-methylmethionine (SMM, also known as vitamin U) is a sulfur-containing vitamin-like compound that has been investigated since the 1940s for its gastroprotective and cytoprotective properties. Historically derived from observations of antiulcer activity in plant-derived foods, SMM has been studied in preclinical models and [...] Read more.
S-methylmethionine (SMM, also known as vitamin U) is a sulfur-containing vitamin-like compound that has been investigated since the 1940s for its gastroprotective and cytoprotective properties. Historically derived from observations of antiulcer activity in plant-derived foods, SMM has been studied in preclinical models and limited clinical settings for its multilevel pharmacological effects. This narrative review critically evaluates the available evidence on SMM’s pharmacological actions across organ systems, with explicit differentiation between preclinical and clinical data. It covers the most consistently reported gastroprotective and antiulcer effects, as well as antioxidant, anti-inflammatory, cytoprotective, and regenerative activities observed predominantly in preclinical studies. Particular attention is paid to organ-specific protection in the nervous system, liver, kidneys, lungs, skin, eyes, and oral tissues, although human evidence remains scarce. Proposed mechanisms are mediated primarily through suppression of oxidative stress, modulation of inflammatory and immune responses, maintenance of glutathione homeostasis, activation of ERK/NF-κB and Nrf2/Keap1 pathways, and regulation of methylation processes. Building on recent descriptive reviews, this work provides a structured critical synthesis that grades evidence quality, compares SMM with the structurally related methyl donor S-adenosylmethionine (SAMe), and analyses the translational and regulatory barriers that have prevented Western drug registration despite over 70 years of investigation. Despite a substantial preclinical evidence base and historical clinical observations, the level of evidence for many indications remains limited. Well-designed Phase II randomized controlled trials and innovative pharmaceutical formulations (especially topical and mucosal delivery systems) are urgently needed to translate preclinical promise into clinical benefits. Full article
(This article belongs to the Section Pharmacology)
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22 pages, 1504 KB  
Review
Regulatory Landscapes of Bacterial DNA Methylation: Mechanism, Dynamics, and Detection
by Jasleen Kaur Lamba, Tejinder Kaur, Roshani Jha, Rama Kadamb and Rajni Garg
DNA 2026, 6(2), 22; https://doi.org/10.3390/dna6020022 - 4 May 2026
Viewed by 2122
Abstract
Epigenetics is a widely present mechanism for the modulation of gene expression without alterations in the underlying genetic sequence. Epigenetic signatures are significantly present in bacteria, with DNA methylation playing a key role in the modulation of bacterial physiology and pathogenesis. DNA methyltransferases [...] Read more.
Epigenetics is a widely present mechanism for the modulation of gene expression without alterations in the underlying genetic sequence. Epigenetic signatures are significantly present in bacteria, with DNA methylation playing a key role in the modulation of bacterial physiology and pathogenesis. DNA methyltransferases (MTases) are the enzymes catalyzing the transfer of methyl groups to adenine or cytosine residues in the DNA using the methyl donor S-adenosyl-L-methionine (SAM). This process generates modified bases, N6-methyladenine (m6A), 5-methylcytosine (5mC), or N4-methyl cytosine (4mC) in the DNA, which influence fundamental cellular processes such as DNA transactions, DNA replication, transcription, and DNA repair. These MTases, earlier thought to be a part of primitive bacterial immune system, are now considered to be active players in gene regulation. They regulate bacterial adaptability to stress by virtue of phase variation and bistability. In pathogenic species such as Mycobacterium tuberculosis (Mtb), DNA methylation driven epigenetic reprogramming influences the expression of virulence factors, antibiotic tolerance, and persistence genes. This review gives a detailed account of role of DNA methyltransferases in bacterial epigenomics influencing various cellular processes. With the development of long-read high-throughput sequencing technologies, single-base mapping of bacterial methylomes has become possible. In the latter part of the review, we talk about these advances and the integration of synthetic biology to expand the potential of methylation systems for developing biosensors and switchable gene expression platforms. These strategies can be translated into future vaccine design and precision drugs for disease control. Deciphering bacterial DNA methylation can help gain insights into microbial evolution and design innovative therapeutics for various diseases. Full article
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20 pages, 3655 KB  
Article
Elucidating the Structure–Nonlinear Optical Property Relationship of Ethynyl Extended Benzanthrone Chromophores
by Divya Jattu Gouda, B. Siddlingeshwar, H. M. Suresh Kumar, Shivaraj R. Maidur, S. R. Manohara, Armands Maleckis and Elena M. Kirilova
Molecules 2026, 31(9), 1467; https://doi.org/10.3390/molecules31091467 - 28 Apr 2026
Viewed by 497
Abstract
Three ethynyl-extended benzanthrone derivatives with benzonitrile (Dye A), thiophene (Dye B), and methyl propiolate (Dye C) as substituents were synthesized and investigated to illustrate structure–property relationships governing their nonlinear optical (NLO) behavior. The third-order nonlinear absorption and refractive index of three dyes were [...] Read more.
Three ethynyl-extended benzanthrone derivatives with benzonitrile (Dye A), thiophene (Dye B), and methyl propiolate (Dye C) as substituents were synthesized and investigated to illustrate structure–property relationships governing their nonlinear optical (NLO) behavior. The third-order nonlinear absorption and refractive index of three dyes were studied using open- and closed-aperture z-scan measurements under 532 nm continuous-wave laser excitation. All dyes exhibited reverse saturable absorption dominated by two-photon absorption, with Dye A showing the highest nonlinear absorption coefficient (βeff = 2.3 × 10−5 cm/W) and two-photon response, attributed to its extended conjugation and smaller HOMO−LUMO gap (6.45 eV). Closed-aperture Z-scans revealed strong nonlinear refraction (n2), with the thiophene-substituted Dye B displaying the largest n2 (14.8 × 10−9 cm2/W) and third-order susceptibility (χ3 = 3.1 × 10−6 esu). The evaluated optical switching figures of merit met the requirements for all-optical switching and optical limiting. DFT and TDDFT calculations demonstrated that donor substitution and conjugation length govern electronic structure, charge transfer character, and global reactivity descriptors. Enhanced electronic softness and hyperpolarizability in Dye B further support its superior refractive nonlinearity. These results establish clear structure–property correlations and highlight donor engineering as an effective strategy for developing organic nonlinear optical and photonic materials. Full article
(This article belongs to the Special Issue Advances in Alkyne Chemistry)
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27 pages, 5970 KB  
Article
Molecular Insight into the Structural Properties of Deep Eutectic Solvents Based on Alkanolamines—A Theoretical and Experimental Study
by Maciej Śmiechowski, Bartosz Nowosielski, Ingmar Persson, Iwona Cichowska-Kopczyńska and Dorota Warmińska
Molecules 2026, 31(8), 1364; https://doi.org/10.3390/molecules31081364 - 21 Apr 2026
Cited by 1 | Viewed by 398
Abstract
Molecular dynamics simulations were performed on 27 deep eutectic solvents (DESs) composed of various hydrogen bond acceptors (HBAs)—tetrabutylammonium bromide (TBAB), tetrabutylammonium chloride (TBAC), and tetraethylammonium chloride (TEAC)—combined with different hydrogen bond donors (HBDs)—3-aminopropan-1-ol (AP), 2-(methyl-amino)ethanol (MAE), and 2-(n-butylamino)ethanol (BAE). Radial distribution [...] Read more.
Molecular dynamics simulations were performed on 27 deep eutectic solvents (DESs) composed of various hydrogen bond acceptors (HBAs)—tetrabutylammonium bromide (TBAB), tetrabutylammonium chloride (TBAC), and tetraethylammonium chloride (TEAC)—combined with different hydrogen bond donors (HBDs)—3-aminopropan-1-ol (AP), 2-(methyl-amino)ethanol (MAE), and 2-(n-butylamino)ethanol (BAE). Radial distribution functions (RDFs) were computed from the simulation trajectories to probe the microscopic structure of these DESs. The effects of HBA/HBD molar ratio, alkyl chain length, anion type, and the amine group’s substitution on the structural organization of the DESs were systematically investigated. Moreover, the influence of water addition on the structural properties of selected DESs (TBAB with AP, MAE, or BAE at a 1:6 molar ratio) was explored. These structural features were then correlated with previously reported experimental data. To complement the classical simulations, ab initio molecular dynamics simulations were conducted on the same TBAB-based systems, enabling the analysis of electronic structure phenomena, including RDFs, dipole moment distributions, and charge transfer. Furthermore, experimental large-angle X-ray scattering (LAXS) data collection and analysis were performed in terms of the simulated structural data. This multi-scale approach provides a detailed understanding of the structural and electronic characteristics governing the behavior of alkanolamine-based DES. Full article
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17 pages, 4586 KB  
Article
Maternal Methyl Donor Nutrients Modulate Developmental Genes in Mammary Tumors
by Lawrence Mabasa, Anri Kotze, Rabia Johnson, Pritika Ramharack, Sylvester I. Omoruyi, Kwazikwakhe B. Gabuza, Jyoti Sharma and Tarryn Willmer
Biology 2026, 15(8), 645; https://doi.org/10.3390/biology15080645 - 19 Apr 2026
Viewed by 341
Abstract
Maternal nutrition during critical windows of development plays a pivotal role in shaping long-term disease susceptibility, including cancer risk. This study investigated whether maternal exposure to lipotropes (methyl donor nutrients) during pregnancy and lactation modulates gene expression in 7,12-dimethylbenzanthracene (DMBA)-induced mammary tumors in [...] Read more.
Maternal nutrition during critical windows of development plays a pivotal role in shaping long-term disease susceptibility, including cancer risk. This study investigated whether maternal exposure to lipotropes (methyl donor nutrients) during pregnancy and lactation modulates gene expression in 7,12-dimethylbenzanthracene (DMBA)-induced mammary tumors in adult female offspring. Timed-pregnant Sprague-Dawley rats were fed with either a control or lipotrope-supplemented diet, with or without vitamin B6. Female offspring were exposed to DMBA at puberty, and mammary tumors were evaluated histologically and molecularly. DMBA-induced tumors displayed ductal carcinoma in situ-like morphology and significant upregulation of fetal mammary developmental genes (Tbx2 and Tbx3), the tumorigenesis-associated gene Tp53, and key epigenetic regulators (Hdac1, Dnmt1, and Mthfr). Estrogen receptor 1 (Esr1) mRNA expression also showed a significant increase. Maternal lipotropes supplementation significantly attenuated the expression of these genes in offspring tumors. Collectively, these findings demonstrate that maternal methyl donor nutrition modulates tumor-associated gene expression patterns, potentially by limiting the reactivation of developmental and epigenetic pathways in adulthood. This study highlights maternal nutrition as a modifiable early-life factor with important implications for long-term health programming. Full article
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21 pages, 2132 KB  
Article
Experimental Evaluation of CO2 Absorption and Thermophysical Properties of TBAB-Based Deep Eutectic Solvents with Amine and Acid Donors
by Siddharth Atal, Sonam Sharma, Amit Kumar Gomey, Syed Saim Ali, Rakesh Kumar, Deepak Dwivedi and Bhupendra Pratap Singh
C 2026, 12(1), 28; https://doi.org/10.3390/c12010028 - 20 Mar 2026
Viewed by 962
Abstract
Carbon dioxide emissions from fossil fuel burning remains a severe environmental challenge that needs to be addressed. Deep eutectic solvents (DESs) have emerged as promising alternatives to conventional alkanolamines for CO2 capture applications due to their lower volatility and reduced corrosion potential. [...] Read more.
Carbon dioxide emissions from fossil fuel burning remains a severe environmental challenge that needs to be addressed. Deep eutectic solvents (DESs) have emerged as promising alternatives to conventional alkanolamines for CO2 capture applications due to their lower volatility and reduced corrosion potential. In this work, two tetrabutylammonium bromide (TBAB)-based systems were synthesized using different hydrogen bond donors: 2-amino-2-methyl-1-propanol (AMP) at a 1:1 molar ratio and p-toluenesulfonic acid (PTSA) at a 1:2 molar ratio. FTIR spectroscopic analysis confirmed that TBAB-AMP (1:1) forms a true DES through hydrogen bonding interactions, whereas TBAB-PTSA (1:2) undergoes proton transfer to form an ionic salt. CO2 solubility measurements were conducted using the pressure drop method up to 15 bar at 30 °C. The TBAB-AMP system exhibited a CO2 uptake of 0.194 mol CO2/mol DES at 14.7 bar, approximately 2.5-fold higher than the TBAB-PTSA system, which achieved 0.079 mol/mol at 14.5 bar. Critical and thermophysical properties were estimated using the modified Lydersen–Joback–Reid, Lee–Kesler, and Haghbakhsh group-contribution methods. Viscosity measurements conducted from 30 to 50 °C revealed that TBAB-AMP exhibited significantly lower viscosity, ranging from 163 to 46 mPa·s, compared to TBAB-PTSA, which showed viscosity values between 536 and 155 mPa·s. The superior CO2 capture performance of the amine-functionalized DES was attributed to favorable hydrogen-bonding interactions, lower viscosity, which enabled better mass transfer, and enhanced chemical affinity toward CO2 through carbamate formation. Full article
(This article belongs to the Section Carbon Cycle, Capture and Storage)
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21 pages, 2373 KB  
Article
Coated Betaine Improves Lamb Meat Quality and Flavor by Modulating Rumen Microbial Flora
by Shude Shi, Xiongxiong Li, Shangwu Ma, Yuzhu Sha, Yuling Qu and Shengguo Zhao
Animals 2026, 16(6), 970; https://doi.org/10.3390/ani16060970 - 20 Mar 2026
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Abstract
The sensory quality and flavor of lamb meat, critical to market competitiveness, are influenced by rumen microbial fermentation and dietary management strategies. Coated betaine (CBet), a rumen-protected methyl donor, exerts systemic nutritional regulation in ruminants. This study explored the effects of CBet supplementation [...] Read more.
The sensory quality and flavor of lamb meat, critical to market competitiveness, are influenced by rumen microbial fermentation and dietary management strategies. Coated betaine (CBet), a rumen-protected methyl donor, exerts systemic nutritional regulation in ruminants. This study explored the effects of CBet supplementation on lamb meat quality using 18 Dorset ♂ × Hu sheep ♀ F1 crossbred lambs, randomly assigned to either a control group (basal diet) or a 0.20% CBet-supplemented diet for 60 days (n = 9 per group). The results demonstrated that CBet significantly increased ruminal concentrations of total volatile fatty acids (TVFAs), acetic acid, propionic acid, and butyric acid (p < 0.05). Additionally, CBet supplementation enhanced muscle redness (a*), crude fat, crude ash, heptadecanoic acid (C17:0), and tricosanoic acid (C23:0) (p < 0.05) while decreasing shear force and the concentration of cis-13,16-docosadienoic acid (C22:2) (p < 0.05). Furthermore, CBet elevated characteristic flavor compounds (e.g., nonanal) and their relative odor activity values (ROAVs), and decreased undesirable odors (e.g., dodecanal) (p < 0.05). As illustrated in the graphical abstract, these improvements were mediated through regulatory effects of CBet on rumen microbiota composition, muscle fatty acids, amino acids, and volatile flavor compounds. Specifically, CBet significantly increased the relative abundances of Firmicutes, Proteobacteria, Prevotella, and Bifidobacterium in the rumen (p < 0.05) and altered the Firmicutes/Bacteroidota ratio. In conclusion, dietary supplementation with 0.20% CBet effectively enhances lamb meat quality and flavor, effects closely associated with changes in the abundance of key ruminal microbial taxa. Full article
(This article belongs to the Section Animal Nutrition)
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