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Nuclear magnetic resonance

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https://www.readbyqxmd.com/read/29790795/octa-arginine-modified-poly-amidoamine-dendrimers-for-improved-delivery-and-cytotoxic-effect-of-paclitaxel-in-cancer
#1
Sri Vishnu Kiran Rompicharla, Preeti Kumari, Balaram Ghosh, Swati Biswas
Cell penetrating peptides (CPP) have the ability to penetrate the cell membrane and have been associated with various cargos for their facile intracellular translocation. The current study involves the synthesis of a CPP, octa-arginine (R8)-modified poly(amidoamine) dendrimer of generation 4 (G4), which has additionally been PEGylated and conjugated to the poorly soluble anticancer drug, paclitaxel (PTX). The synthesized dendrimer conjugates were characterized by proton nuclear magnetic resonance (1H-NMR) Spectroscopy and zeta potential measurements and evaluated in vitro in cell monolayers and 3D spheroids...
May 23, 2018: Artificial Cells, Nanomedicine, and Biotechnology
https://www.readbyqxmd.com/read/29790342/high-permeation-rates-in-liposome-systems-explain-rapid-glyphosate-biodegradation-associated-with-strong-isotope-fractionation
#2
Benno Ehrl, Emmanuel O Mogusu, Kyoungtea Kim, Heike Hofstetter, Joel A Pedersen, Martin Elsner
Bacterial uptake of charged organic pollutants such as the widely used herbicide glyphosate is typically attributed to active transporters, whereas passive membrane permeation as an uptake pathway is usually neglected. For 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) liposomes, pH-dependent membrane permeation coefficients (Papp) of glyphosate, determined by nuclear magnetic resonance (NMR) spectroscopy, varied from Papp(pH 7.0) = 3.7 (+/-0.3) × 10-7 m∙s-1 to Papp(pH 4.1) = 4.2 (+/-0.1) × 10-6 m∙s-1...
May 23, 2018: Environmental Science & Technology
https://www.readbyqxmd.com/read/29787983/circuit-filling-factor-cff-for-multiply-tuned-probes-revisited
#3
Mark S Conradi, Albert P Zens
The concept of circuit filling factor (CFF) is re-examined for multi-tuned, multi-inductor probe circuits. The CFF is the fraction of magnetic stored energy residing in the NMR coil. The CFF theorem states that the CFF sums to unity across all the resonant normal modes. It dictates that improved performance from a large CFF in one mode comes at the expense of CFF (and performance) at the other mode(s). Simple analytical calculations of two-mode circuits are used to demonstrate and confirm the CFF theorem. A triple-resonance circuit is calculated to show the large trade-offs involved there...
May 17, 2018: Journal of Magnetic Resonance
https://www.readbyqxmd.com/read/29787279/multi-nuclear-detection-of-nuclear-spin-optical-rotation-at-low-field
#4
Yue Zhu, Yuheng Gao, Shane Rodocker, Igor Savukov, Christian Hilty
We describe the multi-nuclear detection of nuclear spin optical rotation (NSOR), an effect dependent on the hyperfine interaction between nuclear spins and electrons. Signals of 1 H and 19 F are discriminated by frequency in a single spectrum acquired at sub-mili Tesla field. The simultaneously acquired optical signal along with the nuclear magnetic resonance (NMR) signal allows the calculation of the relative magnitude of the NSOR constants corresponding to different nuclei within the sample molecules. This is illustrated by a larger NSOR signal measured at the 19 F frequency despite a smaller corresponding spin concentration...
May 22, 2018: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/29786954/urinary-metabolites-predict-prolonged-duration-of-delayed-graft-function-in-dcd-kidney-transplant-recipients
#5
S Kostidis, J R Bank, D Soonawala, E Nevedomskaya, C van Kooten, O A Mayboroda, J W de Fijter
Extending kidney donor criteria, including donation after circulatory death (DCD), has resulted in increased rates of delayed graft function (DGF) and primary nonfunction. Here, we used Nuclear Magnetic Resonance (NMR) spectroscopy to analyze the urinary metabolome of DCD transplant recipients at multiple time points (days 10, 42, 180 and 360 after transplantation). The aim was to identify markers that predict prolonged duration of functional DGF (fDGF). Forty-seven metabolites were quantified and their levels were evaluated in relation to fDGF...
May 22, 2018: American Journal of Transplantation
https://www.readbyqxmd.com/read/29786797/nmr-based-prostate-cancer-metabolomics
#6
Leslie R Euceda, Maria K Andersen, May-Britt Tessem, Siver A Moestue, Maria T Grinde, Tone F Bathen
Prostate cancer is the second most common malignancy, and the fifth leading cause of cancer-related death among men, worldwide. A major unsolved clinical challenge in prostate cancer is the ability to accurately distinguish indolent cancer types from the aggressive ones. Reprogramming of metabolism is now a widely accepted hallmark of cancer development, where cancer cells must be able to convert nutrients to biomass while maintaining energy production. Metabolomics is the large-scale study of small molecules, commonly known as metabolites, within cells, biofluids, tissues, or organisms...
2018: Methods in Molecular Biology
https://www.readbyqxmd.com/read/29785510/measuring-translational-diffusion-of-15-n-enriched-biomolecules-in-complex-solutions-with-a-simplified-1-h-15-n-hmqc-filtered-best-sequence
#7
Shenggen Yao, Thomas G Meikle, Ashish Sethi, Frances Separovic, Jeffrey J Babon, David W Keizer
Pulsed-field gradient nuclear magnetic resonance has seen an increase in applications spanning a broad range of disciplines where molecular translational diffusion properties are of interest. The current study introduces and experimentally evaluates the measurement of translational diffusion coefficients of 15 N-enriched biomolecules using a 1 H-15 N HMQC-filtered band-selective excitation short transient (BEST) sequence as an alternative to the previously described SOFAST-XSTE sequence. The results demonstrate that accurate translational diffusion coefficients of 15 N-labelled peptides and proteins can be obtained using this alternative 1 H-15 N HMQC-filtered BEST sequence which is implementable on NMR spectrometers equipped with probes fitted with a single-axis field gradient, including most cryoprobes dedicated to bio-NMR...
May 21, 2018: European Biophysics Journal: EBJ
https://www.readbyqxmd.com/read/29784341/middle-distillates-hydrogen-content-via-gc%C3%A3-gc-fid
#8
Petr Vozka, Huaping Mo, Pavel Šimáček, Gozdem Kilaz
Liquid transportation fuels in the middle distillate range contain thousands of hydrocarbons making the predictions and calculations of properties from composition a challenging process. We present a new approach of hydrogen content determination by comprehensive two-dimensional gas chromatography with flame ionization detector (GC×GC-FID) using a weighted average method. GC×GC-FID hydrogen determination precision was excellent (0.005 wt% repeatability). The method accuracy was evaluated by high-resolution nuclear magnetic resonance (NMR) technique, which is non-biased, measures the H signal directly and was independently validated by controls in the current study...
August 15, 2018: Talanta
https://www.readbyqxmd.com/read/29784310/effects-of-fermented-milk-treatment-on-microbial-population-and-metabolomic-outcomes-in-a-three-stage-semi-continuous-culture-system
#9
Kwang Hyun Cha, Eun Ha Lee, Hyo Shin Yoon, Jae Ho Lee, Joo Yun Kim, Kyungsu Kang, Jin-Soo Park, Jong Beom Jin, GwangPyo Ko, Cheol-Ho Pan
We investigated the impact of a fermented milk product on gut microbiota and their metabolism in 3 different conditions of the colon with a systemic viewpoint. An in vitro semi-continuous anaerobic cultivation was used to assess the colon compartment-specific influence of fermented milk, followed by a multiomics approach combining 16S rDNA amplicon sequencing and nuclear magnetic resonance (NMR) spectroscopy. The microbiome profiling and metabolomic features were significantly different across three colon compartments and after fermented milk treatment...
October 15, 2018: Food Chemistry
https://www.readbyqxmd.com/read/29783976/possible-multiple-system-atrophy-with-predominant-parkinsonism-in-a-patient-with-chronic-schizophrenia-a-case-report
#10
Hiroshi Komatsu, Masaaki Kato, Teiko Kinpara, Takashi Ono, Yoshihisa Kakuto
BACKGROUND: Multiple system atrophy (MSA) is an adult-onset, rare, and progressive neurodegenerative disorder characterized by a varying combination of autonomic failure, cerebellar ataxia, and parkinsonism. MSA is categorized as MSA-P with predominant parkinsonism, and as MSA-C with predominant cerebellar features. The prevalence of MSA has been reported to be between 1.86 and 4.9 cases per 100,000 individuals. In contrast, approximately 1% of the population is affected by schizophrenia during their lifetime; therefore, MSA-P comorbidity is very rare in schizophrenic patients...
May 21, 2018: BMC Psychiatry
https://www.readbyqxmd.com/read/29783758/investigation-of-daphnia-magna-sub-lethal-exposure-to-organophosphate-esters-in-the-presence-of-dissolved-organic-matter-using-%C3%A2-h-nmr-based-metabolomics
#11
Vera Kovacevic, André J Simpson, Myrna J Simpson
Organophosphate esters (OPEs) are frequently detected in aquatic environments. Hydrophobic OPEs with high octanol-water partition coefficients (Log KOW ) will likely sorb to dissolved organic matter (DOM) and consequently alter OPE bioavailability and sub-lethal toxicity. ¹H nuclear magnetic resonance (NMR)-based metabolomics was used to evaluate how DOM (5 mg organic carbon/L) alters the metabolic response of Daphnia magna exposed to sub-lethal concentrations of three individual OPEs with varying hydrophobicity...
May 19, 2018: Metabolites
https://www.readbyqxmd.com/read/29783734/void-formation-elimination-and-viscoelastic-response-of-polyphenylsilsesquioxane-monolith
#12
Yusuke Daiko, Yuki Oda, Sawao Honda, Yuji Iwamoto
Polyphenylsilsesquioxane (PhSiO3/2 ) particles as an organic-inorganic hybrid were prepared using sol-gel method, and monolithic samples were obtained via a warm-pressing. The reaction mechanism of particles' polymerization and transformation to the monolith under the warm-press were investigated using solid state 29 Si nuclear magnetic resonance (NMR) spectrometer, thermal gravimetric-differential thermal analyzer (TG-DTA), mass spectrometer (MS) and scanning electron microscope (SEM). Transparent and void-free monoliths are successfully obtained by warm-pressing above 180 °C...
May 19, 2018: Materials
https://www.readbyqxmd.com/read/29783633/butyrylation-of-maize-and-potato-starches-and-characterization-of-the-products-by-nuclear-magnetic-resonance-and-in-vitro-fermentation
#13
Tina Skau Nielsen, Nuria Canibe, Flemming Hofmann Larsen
Intake of butyrylated starches may increase colonic butyrate supply, which can be of public health and clinical benefit by maintaining colonic health. The objective was to investigate if an organocatalytic method with tartaric acid as a catalyst could be applied to produce butyrylated products from different starch sources and to characterize their chemical structure and fermentation capability by using solid-state 13 C MAS NMR (magic angle spinning nuclear magnetic resonance) spectroscopy and an in vitro fermentation model, respectively...
May 18, 2018: Foods (Basel, Switzerland)
https://www.readbyqxmd.com/read/29783186/-1-h-nmr-and-uplc-ms-metabolomics-functional-tools-for-exploring-chemotypic-variation-in-sceletium-tortuosum-from-two-provinces-in-south-africa
#14
Jianping Zhao, Ikhlas A Khan, Sandra Combrinck, Maxleene Sandasi, Weiyang Chen, Alvaro M Viljoen
Sceletium tortuosum (Aizoaceae) is widely recognised for the treatment of stress, anxiety and depression, as well as for obsessive compulsive disorders. A comprehensive intraspecies chemotypic variation study, using samples harvested from two distinct regions of South Africa, was done using both proton nuclear magnetic resonance (1 H-NMR) spectroscopy of methanol extracts (N = 145) and ultra performance liquid chromatography-mass spectrometry (UPLC-MS) of acid/base extracts (N = 289). Chemometric analysis of the 1 H-NMR data indicated two main clusters that were region-specific (Northern Cape and Western Cape provinces)...
May 17, 2018: Phytochemistry
https://www.readbyqxmd.com/read/29782823/changing-the-site-energy-of-per-614-in-the-peridinin-chlorophyll-a-protein-does-not-alter-its-capability-of-chlorophyll-triplet-quenching
#15
Alessandro Agostini, Jens Niklas, Tim Schulte, Marilena Di Valentin, Marco Bortolus, Eckhard Hofmann, Wolfgang Lubitz, Donatella Carbonera
The peridinin-chlorophyll-a protein (PCP) is a water-soluble light harvesting protein of the dinoflagellate Amphidinium carterae, employing peridinin (Per) as the main carotenoid to fulfil light harvesting and photo-protective functions. Per molecules bound to the protein experience specific molecular surroundings which lead to different electronic and spectral properties. In the refolded N89 L variant PCP (N89 L-RFPCP) a significant part of the intensity on the long wavelength side of the absorption spectrum is shifted to shorter wavelengths due to a significant change in the Per-614 site energy...
May 18, 2018: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/29782818/antimicrobial-activity-profiles-of-amphiphilic-xanthone-derivatives-are-a-function-of-their-molecular-oligomerization
#16
Jun-Jie Koh, Shuimu Lin, Yang Bai, Wendy Wan Ling Sin, Thet Tun Aung, Jianguo Li, Verma Chandra, Konstantin Pervushin, Roger W Beuerman, Shouping Liu
Currently, membrane-targeting small antimicrobial peptidomimetics (SAP) are important in antibiotic development because bacteria appear to develop resistance to these surface-active compounds less readily. However, the molecular membrane-targeting action of SAPs has received little attention. In this study, we investigated the effect of oligomerization of amphiphilic xanthone, a model SAP, on its antimicrobial properties against both Gram-positive and Gram-negative bacteria. First, oligomer formation by an amphiphilic xanthone, compound 2 (also coded as AM052), was investigated via solution-state nuclear magnetic resonance (NMR) spectroscopy...
May 18, 2018: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/29781852/the-effect-of-postmastectomy-radiation-therapy-on-breast-implants-material-analysis-on-silicone-and-polyurethane-prosthesis
#17
Federico Lo Torto, Michela Relucenti, Giuseppe Familiari, Nicola Vaia, Donato Casella, Roberto Matassa, Selenia Miglietta, Franco Marinozzi, Fabiano Bini, Ilaria Fratoddi, Fabio Sciubba, Raffaele Cassese, Vincenzo Tombolini, Diego Ribuffo
INTRODUCTION: The pathogenic mechanism underlying capsular contracture is still unknown. It is certainly a multifactorial process, resulting from human body reaction, biofilm activation, bacteremic seeding, or silicone exposure. The scope of the present article is to investigate the effect of hypofractionated radiotherapy protocol (2.66 Gy × 16 sessions) both on silicone and polyurethane breast implants. METHODS: Silicone implants and polyurethane underwent irradiation according to a hypofractionated radiotherapy protocol for the treatment of breast cancer...
May 17, 2018: Annals of Plastic Surgery
https://www.readbyqxmd.com/read/29780498/direct-and-indirect-hyperpolarisation-of-amines-using-para-hydrogen
#18
Wissam Iali, Peter J Rayner, Adel Alshehri, A Jonathan Holmes, Amy J Ruddlesden, Simon B Duckett
Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI) are two widely used techniques for the study of molecules and materials. Hyperpolarisation methods, such as Signal Amplification By Reversible Exchange (SABRE), turn typically weak magnetic resonance responses into strong signals. In this article we detail how it is possible to hyperpolarise the 1 H, 13 C and 15 N nuclei of a range of amines. This involved showing how primary amines form stable but labile complexes of the type [Ir(H)2 (IMes)(amine)3 ]Cl that allow para hydrogen to relay its latent polarisation into the amine...
April 21, 2018: Chemical Science
https://www.readbyqxmd.com/read/29780245/protein-delivery-nanosystem-of-six-arm-copolymer-poly-%C3%AE%C2%B5-caprolactone-poly-ethylene-glycol-for-long-term-sustained-release
#19
Jianwei Duan, Chao Liu, Xiaoyu Liang, Xuanling Li, Youlu Chen, Zuoguan Chen, Xiaoli Wang, Deling Kong, Yongjun Li, Jing Yang
Background: To address the issue of delivery of proteins, a six-arm copolymer, six-arm poly (ε-caprolactone)-poly(ethylene glycol) (6S-PCL-PEG), was synthesized by a simple two-step reaction. Thereafter, the application of 6S-PCL-PEG as a protein carrier was evaluated. Materials and methods: A six-arm copolymer, six-arm poly(ε-caprolactone) (6S-PCL), was synthesized by ring-opening polymerization, with stannous octoate as a catalyst and inositol as an initiator...
2018: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/29780145/reversible-cognitive-dysfunction-in-elderly-onset-systemic-lupus-erythematosus-successfully-treated-with-aggressive-immunosuppressive-therapy
#20
Yuya Fujita, Shoichi Fukui, Midori Ishida, Yushiro Endo, Sosuke Tsuji, Ayuko Takatani, Takashi Igawa, Toshimasa Shimizu, Masataka Umeda, Remi Sumiyoshi, Ayako Nishino, Tomohiro Koga, Shin-Ya Kawashiri, Naoki Iwamoto, Kunihiro Ichinose, Mami Tamai, Hideki Nakamura, Tomoki Origuchi, Atsushi Kawakami
A 70-year-old Japanese woman presented to our hospital with gait disturbance and cognitive dysfunction. Since she had arthritis, leukocytopenia, thrombocytopenia, hypocomplementemia, and anti-nuclear and anti-double-stranded DNA antibodies, she was diagnosed with systemic lupus erythematosus (SLE). T2-weighted magnetic resonance imaging revealed bilateral hyperintensities in the putamen. Based on her cognitive impairment, muscle rigidity, and high levels of interleukin-6 in the cerebrospinal fluid, we believed she had developed a complication of a neuropsychiatric disease and administered corticosteroids and intravenous cyclophosphamide therapy...
May 18, 2018: Internal Medicine
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