Magnetic Resonance Spectroscopy Research Articles

Application value of magnetic resonance spectroscopy imaging in the diagnosis of prostate cancer.

Magnetic resonance spectroscopy (MRSI) can distinguish between benign and malignant prostate diseases. This study investigated the potential of MRSI for diagnosing prostate cancer and guiding prostate biopsy. We retrospectively reviewed 234 patients with suspected prostate cancer who underwent MRSI with targeted prostate biopsy. Patients were divided into two groups according to their puncture pathology: prostate cancer (n = 103, 44.02%) and benign prostatic disease (n = 131, 55.98%). The t-test, Mann-Whitney U test, or chi-square test was used to compare the groups. The diagnostic abilities of MRSI, prostate-specific antigen level, digital rectal examination, and magnetic resonance imaging without contrast for prostate cancer were compared using the area under the receiver operating characteristic curve (AUC-ROC); the ARC-ROC values were 0.831, 0.768, 0.692, and 0.656, respectively. The AUC-ROC value for diagnosing prostate cancer using the CC/c ratio was 0.853. CC/c ratio > 0.97 was identified as the optimal threshold for diagnosing prostate cancer (sensitivity, 86.5%; specificity, 78.6%; Youden index, 0.651). Spearman correlation analysis revealed a correlation between the CC/c ratio and Gleason score (r = 0.737, p < 0.001). Using the CC/c ratio of MRSI as an adjunct to targeted prostate biopsy can improve the detection rate of positive biopsies and evaluate prostate cancer invasiveness.

Exploring the impact of poly(sodium styrene sulfonate) dispersants’ architecture on their performance in coal water slurry preparation

In this work, the architecture of poly(sodium styrene sulfonate) (PSSNa) dispersants were flexibly tailored by various strategies. Three categories of PSSNa dispersants with different topologies were obtained, namely, linear structured PSSNa (1-A-PSSNa), three-arm star PSSNa (3-AS-PSSNa) and six-arm star PSSNa (6-AS-PSSNa). The molecular weights (Mn) of these dispersants were adjusted in the range of 3200–26,200 g/mol by varying the feeding ratio of monomer to initiator. In addition, the polydispersity index (PDI) of resultant dispersants were also varied by using different polymerization technologies, such as atom transfer radical polymerization (ATRP) and conventional free radical polymerization technique (RP). Fourier transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy and gel permeation chromatography (GPC) verified these architecture parameters of resultant PSSNa dispersants. Afterwards, the impact of these architectural factors on the performance of PSSNa dispersants in coal water slurry (CWS) preparation were evaluated. The results revealed that with the Mn of dispersants increased from 9800 to 26,200 g/mol, the apparent viscosity of CWS increased by around 11 %. The comparison between dispersants with approximate Mn (26,200 and 26,900 g/mol) and very different PDI (1.27 and 2.25) indicated that wide PDI are favourable for the performance. This work also confirmed that the topology of dispersants has a significant impact on their performance. The maximum coal loaded can increase from 63.9 % to 64.3 % when 1-A-PSSNa dispersant was replaced by 6-AS-PSSNa. Meanwhile, these architectural factors have a limited impact on the fluid type of CWSs, as all CWSs obtained in this work were pseudoplastic fluids regardless of the used dispersants. The potential mechanism was investigated using various technologies, such as the measurements of zeta potentials, contact angles, and low-field nuclear magnetic resonance spectra. The results revealed that topologizing did not alter the interaction between dispersant and coal surface. However, due to the special features of topological polymers, they can grant adsorbed coal particles with enhanced electrostatic repulsion and steric hindrance, which facilitated the dispersion of coal particles.

Luminescent Organic Triplet Diradicals as Optically Addressable Molecular Qubits.

Optical-spin interfaces that enable the photoinitialization, coherent microwave manipulation, and optical read-out of ground state spins have been studied extensively in solid-state defects such as diamond nitrogen vacancy (NV) centers and are promising for quantum information science applications. Molecular quantum bits (qubits) offer many advantages over solid-state spin centers through synthetic control of their optical and spin properties and their scalability into well-defined multiqubit arrays. In this work, we report an optical-spin interface in an organic molecular qubit consisting of two luminescent tris(2,4,6-trichlorophenyl)methyl (TTM) radicals connected via the meta-positions of a phenyl linker. The triplet ground state of this system can be photoinitialized in its |T0⟩ state by shelving triplet populations as singlets through spin-selective excited-state intersystem crossing with 80% selectivity from |T+⟩ and |T-⟩. The fluorescence intensity in the triplet manifold is determined by the ground-state polarization, and we show successful optical read-out of the ground-state spin following microwave manipulations by fluorescence-detected magnetic resonance spectroscopy. At 85 K, the lifetime of the polarized ground state is 45 ± 3 μs, and the ground state phase memory time is Tm = 5.9 ± 0.1 μs, which increases to 26.8 ± 1.6 μs at 5 K. These results show that luminescent diradicals with triplet ground states can serve as optically addressable molecular qubits with long spin coherence times, which marks an important step toward the rational design of spin-optical interfaces in organic materials.

PH-sensitive and redox-responsive poly(tetraethylene glycol) nanoparticle-based platform for cancer treatment

Effective drug delivery with precise tumour targeting is crucial for cancer treatment. To address the challenges posed by the specificity and complexity of the tumour microenvironment, we developed a poly(tetraethylene glycol)-based disulfide nanoparticle (NP) platform and explored its potential in cancer treatment, focusing on drug loading and controlled release performance. Poly(tetraethylene glycol) NPs were characterised using nuclear magnetic resonance spectroscopy, mass spectrometry, and ultraviolet-visible spectroscopy. Additionally, we evaluated physicochemical properties, including dynamic light scattering, zeta potential analysis, drug loading capacity (DLC), and drug loading efficiency (DLE). The impact of NPs on the mouse colorectal cancer cell line (CT26) and NIH3T3 cells was assessed using a cytotoxicity assay, live/dead staining assay, flow cytometry, and confocal fluorescence microscopy. The experimental results align with the expected chemical structure and physicochemical properties of poly(tetraethylene glycol) NPs. These NPs exhibit high DLE (78.7%) and DLC (12%), with minimal changes in particle size over time in different media.In vitroexperiments revealed that the NPs can induce significant cytotoxicity and apoptosis in CT26 cells. Cellular uptake notably increases with increasing concentration and exposure time. The confocal microscopic analysis confirmed the effective distribution and accumulation of NPs within cells. In conclusion, poly(tetraethylene glycol) NPs hold promise for improving drug-delivery efficiency, offering potential advancements in cancer treatment.

Synthesis and Characterization of Novel Polymerizable Boronium Ionic Liquids

This work investigates a set of novel polymerizable boronium ionic liquids (BILs) that were synthesized and characterized as candidates for solid or pseudo-solid electrolytes in energy storage applications. The target cation structures, [(1-v-imid)N111BH2]+ and [(1-a-pyrr)N111BH2]+, were derivatized structures of high performance BILs from past studies to focus on polymerizable forms of N-heterocyclic and trimethylamine moieties. Ultimately ionic liquids with the bis(trifluoromethansulfonyl)imide (TFSI-) anion were prepared and characterized using nuclear magnetic resonance spectroscopy, thermal gravimetric analysis, differential scanning calorimetry, and cyclic voltammetry to assess purity, structure, thermal and electrochemical stability.

Synthesis and Characterization of 3,4-Bis[3(2-azidoethoxy)furazan-4-yl]furoxan (DAeTF): A Novel Low-Melting Insensitive Energetic Material.

The synthesis and characterization of low-melting-point insensitive energetic materials are crucial due to their increasing applications in melt-cast explosives. In this work, a furazan-derived energetic compound, 3,4-bis[3(2-azidoethoxy)furazan-4-yl]furoxan (DAeTF), exhibiting insensitive and high-energy characteristics, is rationally designed and synthesized. The structure of DAeTF is characterized by nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, elemental analysis, mass spectrometry, and single-crystal X-ray diffraction. The thermal properties of DAeTF are investigated using differential scanning calorimetry, in situ FTIR spectroscopy and thermogravimetric-differential scanning calorimetry-Fourier transform infrared-mass spectrometry and thermal decomposition mechanism was elucidated in combination with bond energy calculations. The detonation performance of DAeTF is predicted by the EXPLO5 program. The results indicate that DAeTF has thermal stability (Td = 251.7 °C), high energy level (D = 7270 m/s) and significant insensitivity (IS = 60 J). Additionally, its relatively low melting point (Tm = 60.5 °C) facilitates processing and loading. These characteristics indicate that DAeTF is a promising candidate as an insensitive melt-cast explosive in future applications.

Inhibitory mechanisms in the prefrontal-cortex differentially mediate Putamen activity during valence-based learning.

Learning from appetitive and aversive stimuli involves interactions between the prefrontal cortex and subcortical structures. Preclinical and theoretical studies indicate that inhibition is essential in regulating the relevant neural circuitry. Here, we demonstrate that GABA, the main inhibitory neurotransmitter in the central nervous system, differentially affects how the dACC interacts with subcortical structures during appetitive and aversive learning in humans. Participants engaged in tasks involving appetitive and aversive learning, while using functional magnetic resonance spectroscopy (MRS) at 7T to track GABA concentrations in the dACC, alongside whole-brain fMRI scans to assess BOLD activation. During appetitive learning, dACC GABA concentrations were negatively correlated with learning performance and BOLD activity measured from the dACC and the Putamen. These correlations were absent during aversive learning, where dACC GABA concentrations negatively correlated with the connectivity between the dACC and the Putamen. Our results show that inhibition in the dACC mediates appetitive and aversive learning in humans through distinct mechanisms.

Neuroimaging Applications for the Delivery and Monitoring of Gene Therapy for Central Nervous System Diseases.

Neurological disease due to single gene defects represents a targetable entity for adeno-associated virus (AAV) mediated gene therapy. The delivery of AAV-mediated gene therapy to the brain is challenging, owing to the presence of the blood-brain barrier. Techniques in gene transfer, such as convection-enhanced intraparenchymal delivery and image-guided delivery to the cerebrospinal fluid (CSF) spaces of the brain has led the field into highly accurate delivery techniques, which provide correction of genetic defects in specific brain regions or more broadly. These techniques commonly use magnetic resonance imaging (MRI), computed tomography (CT), and fluoroscopic guidance. Even more, the neuroimaging changes evaluated by MRI, MR spectroscopy (MRS), diffusion tensor imaging (DTI), and functional MRI (fMRI) can serve as important biomarkers of therapy effect and overall disease progression. Here, we discuss the role of neuroimaging in delivering AAV vectors and monitoring the effect of gene therapy.

Unlocking the potential of NMR spectroscopy for precise and efficient quantification of microplastics

Precise, fast, and reliable identification and quantification of microplastic contamination are essential for determining their environmental concentrations for risk assessments. This study investigates the use of nuclear magnetic resonance (NMR) spectroscopy to quantify microplastics by analysing dilution series of polystyrene (PS), polyisoprene-cis (PI), polybutadiene-cis (PB), polylactic acid (PLA), polyvinyl chloride (PVC) and polyurethane (PU). Each polymer type was dissolved in a suitable solvent and an internal standard was utilized for quantification. Detection and quantification limits for each polymer type were established in two ways: (1) by using an equation based on proton signals and an internal standard with known concentration and (2) by using the LOQ based on the signal-to-noise ratio. Both data sets were compared and showed that using the internal standard (method 1) results in more accurate and lower concentration limits in the range of 0.2–8 µg mL−1 for all six polymer types, while the LOQ based on the SNR (method 2) gives consistently higher concentration limits (1–10 µg mL−1). The research shows the accuracy, efficacy, and reliability of quantitative NMR spectroscopy for polymer analysis in these concentration ranges compared to established quantifying methods, such as, PyGC/MS, FTIR, or Raman spectroscopy.

Comprehensive analysis of the cerebrospinal fluid and serum metabolome in neurological diseases

BackgroundComprehensive characterization of the metabolome in cerebrospinal fluid (CSF) and serum by Nuclear Magnetic Resonance (NMR) spectroscopy may identify biomarkers and contribute to the understanding of the pathophysiology of neurological diseases.MethodsMetabolites were determined by NMR spectroscopy in stored CSF/serum samples of 20 patients with Parkinson’s disease, 25 patients with other neuro-degenerative diseases, 22 patients with cerebral ischemia, 48 patients with multiple sclerosis, and 58 control patients with normal CSF findings. The data set was analysed using descriptive and multivariate statistics, as well as machine learning models.ResultsCSF glucose and lactic acid measured by NMR spectroscopy and routine clinical chemistry showed a strong correlation between both methods (glucose, R2 = 0.87, n = 173; lactic acid, R2 = 0.74, n = 173). NMR spectroscopy detected a total of 99 metabolites; 51 in both, CSF and serum, 16 in CSF only, and 32 in serum only. CSF concentrations of some metabolites increased with age and/or decreasing blood–brain-barrier function. Metabolite detection rates were overall similar among the different disease groups. However, in two-group comparisons, absolute metabolite levels in CSF and serum discriminated between multiple sclerosis and neurodegenerative diseases (area under the curve (AUC) = 0.96), multiple sclerosis and Parkinson’s disease (AUC = 0.89), and Parkinson’s disease and control patients (AUC = 0.91), as demonstrated by random forest statistical models. Orthogonal partial least square discriminant analysis using absolute metabolite levels in CSF and serum furthermore permitted separation of Parkinson’s disease and neurodegenerative diseases. CSF propionic acid levels were about fourfold lower in Parkinson’s disease as compared to neurodegenerative diseases.ConclusionsThese findings outline the landscape of the CSF and serum metabolome in different categories of neurological diseases and identify age and blood–brain-barrier function as relevant co-factors for CSF levels of certain metabolites. Metabolome profiles as determined by NMR spectroscopy may potentially aid in differentiating groups of patients with different neurological diseases, including clinically meaningful differentiations, such as Parkinson’s disease from other neurodegenerative diseases.

Chemical composition and antimicrobial activity of Plinia rivularis essential oil against multidrug-resistant bacteria

IntroductionThe increasingly common occurrences of multidrug-resistant bacteria represent a global health threat and the discovery of new alternative remedies is necessary. The use of essential oils (EOs) in the treatment of many pathogenic bacteria is promising and several examples have already been highlighted regarding their inhibitory action. Among the botanical families, Myrtaceae stands out for presenting important species that supply bioactive products. MethodsIn this work we investigate the chemical composition of Plinia rivularis (Myrtaceae) leaf EO and its antibacterial activity against resistant and non-resistant bacteria. The EO was obtained by two methods, hydrodistillation and steam distillation. Gas chromatography-flame ionization detector (GC-FID), gas chromatograph-mass spectrometry (GC-MS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy (FTIR) were the techniques used in the EO chemical characterization. ResultsThe EOs were obtained with yields of 0.37 and 0.16% by hydrodistillation and steam distillation methods, respectively. The analyzes revealed the EOs chemical profile showing the compounds 2H-benzocyclohepten-2-one,3,4,4a,5,6,7,8,9-octahydro-4a-methyl (synonym: 4a-methyl-3,4,4a,5,6,7,8,9-octahydro-2H-benzo[7]annulen-2-one), rosifoliol, β-eudesmol and the diterpene kaurene as main constituents. Through preparative thin-layer chromatography (PTLC), it was possible to obtain the diterpene kaurene with a content of 91%, which was also characterized by NMR. The minimum inhibitory concentrations of EO against bacteria ranged from 0.56 to 2.25 mg.ml−1 and 2.25–36 mg.ml−1 for sensitive and resistant bacteria, respectively. Also, EO showed synergistic activity with amikacin and cefotaxime against carbapenem-resistant Pseudomonas aeruginosa (KPC). ConclusionsThis is the first report on the chemical composition of P. rivularis EO. Comparison of extraction methods showed variation in yields and small changes in component content. The EO demonstrated activity against resistant and non-resistant bacteria. In addition, the synergistic effect of EO against resistant bacteria may be explored in future studies.

Exploring Water-Soluble South African Tulbaghia violacea Harv Extract as a Therapeutic Approach for Triple-Negative Breast Cancer Metastasis.

Triple-negative breast cancer (TNBC) accounts for approximately 20% of all breast cancer cases and is characterized by a lack of estrogen, progesterone, and human epidermal growth factor 2 receptors. Current targeted medicines have been unsuccessful due to this absence of hormone receptors. This study explored the efficacy of Tulbaghia violacea, a South African medicinal plant, for the treatment of TNBC metastasis. Extracts from T. violacea leaves were prepared using water and methanol. However, only the water-soluble extract showed anti-cancer activity and the effects of this water-soluble extract on cell adhesion, invasion, and migration, and its antioxidant activity were assessed using MCF-10A and MDA-MB-231 cells. The T. violacea extract that was soluble in water effectively decreased the movement and penetration of MDA-MB-231 cells through the basement membrane in scratch and invasion tests, while enhancing their attachment to a substance resembling an extracellular matrix. The sample showed mild-to-low antioxidant activity in the antioxidant assy. Nuclear magnetic resonance spectroscopy revealed 61 chemical components in the water-soluble extract, including DDMP, 1,2,4-triazine-3,5(2H,4H)-dione, vanillin, schisandrin, taurolidine, and α-pinene, which are known to have anti-cancer properties. An in-depth examination of the transcriptome showed alterations in genes linked to angiogenesis, metastasis, and proliferation post-treatment, with reduced activity in growth receptor signaling, angiogenesis, and cancer-related pathways, such as the Wnt, Notch, and PI3K pathways. These results indicate that T. violacea may be a beneficial source of lead chemicals for the development of potential therapeutic medicines that target TNBC metastasis. Additional studies are required to identify the precise bioactive chemical components responsible for the observed anti-cancer effects.

Use of two-point and six-point Dixon MRI for fat fraction analysis in the lumbar vertebral bodies and paraspinal muscles in healthy dogs: comparison with magnetic resonance spectroscopy.

Fatty degeneration of the vertebral bodies and paravertebral muscles is associated with the presence, severity, and prognosis of spinal disease such as intervertebral disc degeneration. Therefore, the fat fraction (FF) of the vertebral bodies and paraspinal muscles has been considered a potential biomarker for assessing the pathophysiology, progression, and treatment response of spinal disease. Magnetic resonance spectroscopy (MRS) is considered the reference standard for fat quantification; however, it has limitations of a long acquisition time and is technically demanding. Chemical shift-encoding water-fat imaging, called the Dixon method, has recently been applied for rapid fat quantification with high spatial resolution. However, the Dixon method has not been validated in veterinary medicine, and we hypothesized that the Dixon method would provide a comparable assessment of the FF to MRS but would be faster and easier to implement in dogs. In this prospective study, we assessed the FF of the lumbar vertebral bodies and paravertebral muscles from the first to sixth lumbar vertebrae using MRS, the two-point Dixon method (LAVA-FLEX), and the six-point Dixon method (IDEAL-IQ) and compared these techniques. The FFs of vertebral bodies and paravertebral muscles derived from LAVA-FLEX and IDEAL-IQ showed significant correlations and agreement with those obtained with MRS. In particular, the FFs obtained with IDEAL-IQ showed higher correlations and better agreement with those obtained with MRS than those derived by LAVA-FLEX. Both Dixon methods showed excellent intra- and interobserver reproducibility for FF analysis of the vertebral bodies and paraspinal muscles. However, the test-retest repeatability of vertebral body and paraspinal muscle FF analysis was low for all three sequences, especially for the paraspinal muscles. The results of this study showed that LAVA-FLEX and IDEAL-IQ have high reproducibility and that their findings were highly correlated with the FFs of the lumber vertebral bodies and paraspinal muscles determined by MRS in dogs. The FF analysis could be performed much more easily and quickly using LAVA-FLEX and IDEAL-IQ than using MRS. In conclusion, LAVA-FLEX and IDEAL-IQ can be used as routine procedures in spinal magnetic resonance imaging in dogs for FF analysis of the vertebral bodies and paraspinal muscles.

Subjective visual sensitivity in neurotypical adults: insights from a magnetic resonance spectroscopy study.

Altered subjective visual sensitivity manifests as feelings of discomfort or overload elicited by intense and irritative visual stimuli. This can result in a host of visual aberrations including visual distortions, elementary visual hallucinations and visceral responses like dizziness and nausea, collectively referred to as "pattern glare." Current knowledge of the underlying neural mechanisms has focused on overall excitability of the visual cortex, but the individual contribution of excitatory and inhibitory systems has not yet been quantified. In this study, we focus on the role of glutamate and γ-aminobutyric acid (GABA) as potential mediators of individual differences in subjective visual sensitivity, measured by a computerized Pattern Glare Test-a series of monochromatic square-wave gratings with three different spatial frequencies, while controlling for psychological variables related to sensory sensitivity with multiple questionnaires. Resting neurotransmitter concentrations in primary visual cortex (V1) and right anterior insula were studied in 160 healthy participants using magnetic resonance spectroscopy. Data showed significant differences in the perception of visual distortions (VD) and comfort scores between men and women, with women generally reporting more VD, and therefore the modulatory effect of sex was considered in a further examination. A general linear model analysis showed a negative effect of occipital glutamate on a number of reported visual distortions, but also a significant role of several background psychological traits. When assessing comfort scores in women, an important intervening variable was the menstrual cycle. Our findings do not support that baseline neurotransmitter levels have a significant role in overreactivity to aversive stimuli in neurotypical population. However, we demonstrated that biological sex can have a significant impact on subjective responses. Based on this additional finding, we suggest that future studies investigate aversive visual stimuli while examining the role of biological sex.

Sustainable Lignin Extraction Using a Mild Acidic γ-Valerolactone Process for the Identification of White and Red Oaks.

Current wood identification struggles to differentiate white and red oak (Quercus alba and Quercus rubra) due to highly similar microstructures, as demonstrated by morphological microscope analysis. The present research explores lignin composition as a potential discriminating factor. Here, a rapid and sustainable method for extracting high-quality lignin from oak samples using acidic γ-valerolactone (GVL) under mild conditions is described. As-extracted lignin is thoroughly characterized using various analytical methods, and results reveal a distinct structural difference between the lignin from the two species. White oak lignin possesses a unique "Hibbert ketone" unit detectable by nuclear magnetic resonance spectroscopy (NMR), which is absent in red oak lignin. In addition, infrared spectroscopy differentiates the species based on specific carbonyl groups present in their lignin. These findings suggest that identifying the presence of the Hibbert ketone unit in lignin may offer a highly efficient and reliable method for differentiating white and red oak, opening new avenues for wood identification.

Geographical origin identification of cinnamon using HPLC-DAD fingerprints and chemometrics

The commercial value of cinnamon depends largely on its geographical origin. This study proposed high-performance liquid chromatography-diode array detection (HPLC-DAD) fingerprints combined with chemometrics to identify geographical origins of cinnamons. Alternating trilinear decomposition (ATLD) algorithm was applied to extract meaningful chemical information from the HPLC fingerprint data. Then, non-targeted HPLC fingerprints and chemical component information were used as chemical descriptors to distinguish geographical origins using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA)/N-way partial least squares-discriminant analysis (NPLS-DA). Satisfactory classification results were acquired for each discriminant model and the correct classification rates (CCRs) of training and test sets were 100%. Moreover, four characteristic variables were screened by variable importance in projection (VIP) method, three of which were reasonably identified as cinnamic acid, cinnamaldehyde and 2-methoxycinnamaldehyde, which can be regarded as potential markers to distinguish cinnamon from different geographical origins. The results indicated that HPLC-DAD fingerprints combined with chemometrics can be a promising means to identify the geographical origins and screen potential markers of cinnamon samples, especially in the absence of high-cost and sophisticated analytical instrumentals (e.g., high-resolution mass spectrometry and nuclear magnetic resonance spectroscopy). This work can help to prevent cinnamon fraud practices and maintain the normal order of the cinnamon market.

Magnetic resonance spectroscopy as a diagnostic model for assessment of liver steatosis in metabolic dysfunction-associated steatotic liver disease in non-diabetic patients

BackgroundMetabolic dysfunction-associated steatotic liver (MASLD) disease is the commonest hepatic cause of liver fibrosis and cirrhosis after the introduction of the direct acting antivirals and eradication of hepatitis C. MASLD is usually associated with metabolic syndrome and elevated inflammatory markers. Magnetic resonance spectroscopy (MRS) offers a non-invasive diagnostic, alternative to liver biopsy. This is a case–control diagnostic-accuracy study conducted on 40 patients in the Hepato-gastroenterology Unit in the Internal Medicine Department, Ain Shams University Hospitals, to study the role of MRI spectroscopy as a new diagnostic model for assessment of liver steatosis in non-diabetic MASLD patients compared to the standard ultrasound and clinical criteria. MASLD was diagnosed by a combination of a validated ultrasound hepatic steatosis score grading system and hepatic steatosis index using clinical and laboratory parameters. MRS was performed in all patients and fat peak, water peak, and fat fraction % were measured, and diagnostic accuracy of different MRS is compared to the US scoring and different laboratory and clinical parameters. To our knowledge this is the first study conducted on MRS in our region and Egypt.ResultsThis study revealed no statistically significant difference between the two groups regarding HbA1C, creatinine, while there was highly statistically significant difference regarding fasting blood sugar, 2 h post-prandial glucose level, urine albumin, and low-density lipoprotein levels. Hepatic steatosis score grading by abdominal ultrasound on the 20 controls showed no fatty changes with grade 0 (50%), and on the 20 MASLD patients showed that 2 cases were grade 1 steatosis (5%), 9 cases were grade 2 steatosis (22.5%), and 9 cases were grade 3 steatosis (22.5%). The diagnostic accuracy of predicting hepatic steatosis using different MRS parameters: fat peak, water peak, and fat fraction had area under the curve of 99.9%, 88.6%, and 100%, respectively. The sensitivity and specificity of fat fraction in detecting hepatic steatosis were 100%. The sensitivity and specificity of the fat peak in detecting hepatic steatosis were 100% and 95%, respectively. Moreover, the sensitivity and specificity of the water peak in detecting the hepatic steatosis were 88.6% and 85%, respectively. There is a statistically significant correlation between the three MRS parameters and the abdominal ultrasound hepatic steatosis score grades.ConclusionMRS parameters: fat fraction, fat peak, and water peak, have high diagnostic accuracy for predicting the liver steatosis. Moreover, MRS has the added advantage of being a non-invasive and a tool with low radiation risk. MRS also shows the metabolic changes in the liver and could be an eligible outcome in therapeutic clinical trials.

Extraction and functional characterization of fucoidans and alginates from Ecklonia maxima: A focus on skin, immune, and intestinal health

Polysaccharides from the brown seaweed Ecklonia maxima (EM), were structurally characterized using high performance size exclusion chromatography (HPSEC), Fourier-transform infrared spectroscopy (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopy, and assessed for immunomodulation. MTT and AlamarBlue assays evaluated their effects on cell viability and proliferation (skin cells; HDF, HaCaT). Nitric oxide (NO) production and phagocytosis activities were evaluated using RAW264.7 cells. In addition, Caco-2 cells were exposed to EM polysaccharides, including fucoidans and alginates, with the aim of evaluating their potential toxicity towards intestinal cells. The expression levels of tumor necrosis factor alpha (TNF-α) and transforming growth factor beta (TGF-β1) were measured by qPCR at 24 h after treatment with fucoidans (EM-1A, EM-1B, EM-2B, EM-3B) and alginates (EM-2A, EM-3A) polysaccharide fractions, demonstrating that EM-2A and 3A effectively inhibited inflammation, while EM-2B increased wound healing in HaCaT. Skin cell proliferation and migration were significantly increased (0.13 μg/μL), while exposure of RAW264.7 cells to cold or hot-extracted (2A, 2B) polysaccharides did not affect cell proliferation within 24 h. Cell proliferation in Caco-2 cells were significantly reduced by EM-1A fraction at 72 h, inhibiting cell proliferation (p < 0.001). Phagocytosis activity was significantly higher in EM-2B (122.3 ± 1.2%, p < 0.0001), suggesting pro-inflammatory potential. HDF cell proliferation was higher in EM-3A, whereas SOD activity was lower than controls (LPS: 27.3 ± 1.3%). Fucoidan from fraction 2B fraction accelerated skin cell proliferation and migration, showing their potential as bioactive compounds. The findings suggest that EM fucoidan and alginate polysaccharides would be useful for the development of products for food, pharmaceutical and biotechnology applications.

Strong Magnetic Exchange Interactions and Delocalized Mn-O States Enable High-Voltage Capacity in the Na-Ion Cathode P2-Na0.67[Mg0.28Mn0.72]O2.

The increased capacity offered by oxygen-redox active cathode materials for rechargeable lithium- and sodium-ion batteries (LIBs and NIBs, respectively) offers a pathway to the next generation of high-gravimetric-capacity cathodes for use in devices, transportation and on the grid. Many of these materials, however, are plagued with voltage fade, voltage hysteresis and O2 loss, the origins of which can be traced back to changes in their electronic and chemical structures on cycling. Developing a detailed understanding of these changes is critical to mitigating these cathodes' poor performance. In this work, we present an analysis of the redox mechanism of P2-Na0.67[Mg0.28Mn0.72]O2, a layered NIB cathode whose high capacity has previously been attributed to trapped O2 molecules. We examine a variety of charge compensation scenarios, calculate their corresponding densities of states and spectroscopic properties, and systematically compare the results to experimental data: 25Mg and 17O nuclear magnetic resonance (NMR) spectroscopy, operando X-band and ex situ high-frequency electron paramagnetic resonance (EPR), ex situ magnetometry, and O and Mn K-edge X-ray Absorption Spectroscopy (XAS) and X-ray Absorption Near Edge Spectroscopy (XANES). Via a process of elimination, we suggest that the mechanism for O redox in this material is dominated by a process that involves the formation of strongly antiferromagnetic, delocalized Mn-O states which form after Mg2+ migration at high voltages. Our results primarily rely on noninvasive techniques that are vital to understanding the electronic structure of metastable cycled cathode samples.

Unveiling the Structural Complexity of Lithium Organozinc Alkoxo Clusters and their Applications to Enantioselective Michael Addition Reactions

We report three novel lithium zincate alkoxo clusters, which can be accessed through a convenient co‐complexation reaction of the corresponding dialkylzinc derivatives with lithium alkoxides of the formula [LiO(CH2)2N(CH3)2], or via a deprotonation process mediated by the higher‐order zincate Li2ZnEt4 and dimethylethanolamine. These complexes have been isolated as colourless crystalline solids and characterised by multinuclear magnetic resonance spectroscopy, elemental and single‐crystal X‐ray diffraction analysis. XRD analysis of the crystal structures, combined with 1H DOSY NMR experiments, was crucial for understanding the chemistry behind these complexes. Furthermore, complexes obtained by mixing ZnEt2 with a chiral nonracemic lithium alkoxide generated from (1R,2S)‐N‐methylephedrine have been explored in promoting an enantioselective Michael addition reaction towards trans‐β‐nitrostyrene, with the corresponding nitroalkane isolated in up to 37.3% enantiomeric excess.