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Magnetic Nuclear Resonance

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https://www.readbyqxmd.com/read/28748934/synergy-of-synthesis-computation-and-nmr-reveals-correct-baulamycin-structures
#1
Jingjing Wu, Paula Lorenzo, Siying Zhong, Muhammad Ali, Craig P Butts, Eddie L Myers, Varinder K Aggarwal
Small-molecule, biologically active natural products continue to be our most rewarding source of, and inspiration for, new medicines. Sometimes we happen upon such molecules in minute quantities in unique, difficult-to-reach, and often fleeting environments, perhaps never to be discovered again. In these cases, determining the structure of a molecule-including assigning its relative and absolute configurations-is paramount, enabling one to understand its biological activity. Molecules that comprise stereochemically complex acyclic and conformationally flexible carbon chains make such a task extremely challenging...
July 26, 2017: Nature
https://www.readbyqxmd.com/read/28748695/extraction-and-quantification-of-sinapinic-acid-from-irish-rapeseed-meal-and-assessment-of-angiotensin-i-converting-enzyme-ace-i-inhibitory-activity
#2
Leah Quinn, Steven G Gray, Steve Meaney, Stephen Finn, Padraig McLoughlin, Maria Hayes
Phenolic compounds including phenolic acids, are known to play a protective role against the development of cardiovascular disease. The aim of this work was to generate a phenolic acid extract from Irish rapeseed meal to determine the quantity of sinapinic acid (SA) in this fraction and to assess the ability of this fraction to inhibit the enzyme angiotensin-I converting enzyme (ACE-I). A crude phenolic extract (fraction 1), free phenolic acid containing extract (fraction 2) and an extract containing phenolic acids liberated from esters (fraction 3) were generated from Irish rapeseed meal using a methanol: acetone: water solvent mixture (7:7:6)...
July 27, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28748116/gout-an-old-disease-in-new-perspective-a-review
#3
REVIEW
Gaafar Ragab, Mohsen Elshahaly, Thomas Bardin
Gout is a picturesque presentation of uric acid disturbance. It is the most well understood and described type of arthritis. Its epidemiology is studied. New insights into the pathophysiology of hyperuricemia and gouty arthritis; acute and chronic allow for an even better understanding of the disease. The role of genetic predisposition is becoming more evident. The clinical picture of gout is divided into asymptomatic hyperuricemia, acute gouty arthritis, intercritical period, and chronic tophaceous gout. Diagnosis is based on laboratory and radiological features...
September 2017: Journal of Advanced Research
https://www.readbyqxmd.com/read/28747051/oxazine-ring-related-vibrational-modes-of-benzoxazine-monomers-using-fully-aromatically-substituted-deuterated-15-n-isotope-exchanged-and-oxazine-ring-substituted-compounds-and-theoretical-calculation
#4
Lu Han, Daniela Iguchi, Phwey S Gil, Tyler Heyl, Victoria M Sedwick, Carlos R Arza, Seishi Ohashi, Daniel J Lacks, Hatsuo Ishida
Polymerization of benzoxazine resins is indicated by the disappearance of a 960-900 cm-1 band in infrared spectroscopy (IR). Historically, this band was assigned to the C-H out-of-plane bending of the benzene to which the oxazine ring is attached. This study shows that this band is a mixture of the O-C2 stretching of the oxazine ring and the phenolic ring vibrational modes. Vibrational frequencies of 3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazine (PH-a) and 3-(tert-butyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine (PH-t) are compared with isotope-exchanged and all-substituted compounds...
July 27, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28746356/metabolomic-profiling-of-csf-in-multiple-sclerosis-and-neuromyelitis-optica-spectrum-disorder-by-nuclear-magnetic-resonance
#5
Hyun-Hwi Kim, In Hye Jeong, Ja-Shil Hyun, Byung Soo Kong, Ho Jin Kim, Sung Jean Park
Multiple sclerosis (MS) and neuromyelitis optica spectrum disorder (NMOSD) are inflammatory diseases of the central nervous system. Although several studies have characterized the metabolome in the cerebrospinal fluid (CSF) from MS and NMOSD patients, comparative analyses between them and between the relapse and the remission of each disease have not been performed. Both univariate and multivariate analyses were used to compare 1H-NMR spectra of CSF from MS, NMOSD, and healthy controls (HCs). The statistical analysis showed alterations of eight metabolites that were dependent on the disease...
2017: PloS One
https://www.readbyqxmd.com/read/28743590/sequence-specificity-in-the-entropy-driven-binding-of-a-small-molecule-and-a-disordered-peptide
#6
Gabriella T Heller, Francesco A Aprile, Massimiliano Bonomi, Carlo Camilloni, Alfonso De Simone, Michele Vendruscolo
Approximately one-third of the human proteome is made up of proteins that are entirely disordered or that contain extended disordered regions. Although these disordered proteins are closely linked with many major diseases, their binding mechanisms with small molecules remain poorly understood, and a major concern is whether their specificity can be sufficient for drug development. Here, by studying the interaction of a small molecule and a disordered peptide from the oncogene protein c-Myc, we describe a 'specific-diffuse' binding mechanism, which exhibits sequence specificity despite being of entropic nature...
July 22, 2017: Journal of Molecular Biology
https://www.readbyqxmd.com/read/28742961/solid-solid-phase-transitions-and-t-butyl-and-methyl-group-rotation-in-an-organic-solid-x-ray-diffractometry-differential-scanning-calorimetry-and-solid-state-1h-nuclear-spin-relaxation
#7
Peter A Beckmann, Andrew R McGhie, Arnold L Rheingold, Gilbert J Sloan, Steven T Szewczyk
Using solid state 1H nuclear magnetic resonance (NMR) spin-lattice relaxation experiments, we have investigated the effects of several solid-solid phase transitions on t-butyl group and methyl group rotation in solid 1,3,5-tri-t-butylbenzene. The goal is to relate the dynamics of the t-butyl groups and their constituent methyl groups to properties of the solid determined using single-crystal X-ray diffraction and differential scanning calorimetry (DSC). On cooling, the DSC experiments see a first-order, solid-solid phase transition at either 268 K or 155 K (but not both) depending on thermal history...
July 25, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28742863/antibacterial-activity-of-tannins-isolated-from-sapium-baccatum-extract-and-use-for-control-of-tomato-bacterial-wilt
#8
Thuy Thu Vu, Hun Kim, Vu Khac Tran, Hoang Dinh Vu, Tien Xuan Hoang, Jae Woo Han, Yong Ho Choi, Kyoung Soo Jang, Gyung Ja Choi, Jin-Cheol Kim
In the search for new antibacterial agents from natural sources, we revealed that a crude methanol extract of Sapium baccatum was highly active against Ralstonia solanacearum, a causal agent of a serious disease called bacterial wilt of tomato. The bioassay-guided fractionation of this extract resulted in the isolation of seven known active compounds, including gallic acid, methyl gallate, corilagin, tercatain, chebulagic acid, chebulinic acid, and quercetin 3-O-α-L-arabinopyranoside. Their chemical structures were determined by electrospray ionization mass spectrometry and nuclear magnetic resonance spectroscopy...
2017: PloS One
https://www.readbyqxmd.com/read/28741329/-localized-pigmented-vellonodular-sunovitis-cause-of-knee-hemarthrosis
#9
F J Martínez-Ruiz, A Salaverry-Walls, M Bautista-Morales, C Rivera-Reyes, J G Montero-García
The pigmented vellonodular sinovitis (PVNS) is benign neoplasm with synovial proliferation and hemosiderin deposit, characterized by large compromising joints, especially the knee. At present, two variants of clinics, the diffuse form (PVNSD) and the localized (PVNSL) are described. Arthroscopic synovectomy and radiosynoviorthesis (RSO) is the treatment that has shown the best functional results. Nuclear magnetic resonance is an appropriate method for conducting the diagnosis of PVNSL.
January 2017: Acta Ortopédica Mexicana
https://www.readbyqxmd.com/read/28740230/nmr-analysis-reveals-significant-differences-in-the-plasma-metabolic-profiles-of-niemann-pick-c1-patients-heterozygous-carriers-and-healthy-controls
#10
Fay Probert, Victor Ruiz-Rodado, Danielle Te Vruchte, Elena-Raluca Nicoli, Tim D W Claridge, Christopher A Wassif, Nicole Farhat, Forbes D Porter, Frances M Platt, Martin Grootveld
Niemann-Pick type C1 (NPC1) disease is a rare autosomal recessive, neurodegenerative lysosomal storage disorder, which presents with a range of clinical phenotypes and hence diagnosis remains a challenge. In view of these difficulties, the search for a novel, NPC1-specific biomarker (or set of biomarkers) is a topic of much interest. Here we employed high-resolution (1)H nuclear magnetic resonance spectroscopy coupled with advanced multivariate analysis techniques in order to explore and seek differences between blood plasma samples acquired from NPC1 (untreated and miglustat treated), heterozygote, and healthy control subjects...
July 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28740128/updating-the-list-of-known-opioids-through-identification-and-characterization-of-the-new-opioid-derivative-3-4-dichloro-n-2-diethylamino-cyclohexyl-n-methylbenzamide-u-49900
#11
D Fabregat-Safont, X Carbón, M Ventura, I Fornís, E Guillamón, J V Sancho, F Hernández, M Ibáñez
New psychoactive substances have been rapidly growing in popularity in the drug market as non-illegal drugs. In the last few years, an increment has been reported on the use of synthetic alternatives to heroin, the synthetic opioids. Based on the information provided by the European Monitoring Centre for Drug and Drug Addiction, these synthetic opioids have been related to overdoses and deaths in Europe and North America. One of these opioids is the U-47700. A few months ago, U-47700 was scheduled in the U...
July 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28739210/bile-salt-stimulated-lipase-inhibition-by-phospholipids-and-relief-by-phospholipase-a2
#12
Elena Venuti, Dmitry Shishmarev, Philip W Kuchel, Shoma Dutt, Caron S Blumenthal, Kevin J Gaskin
INTRODUCTION: Bile salt stimulated lipase (BSSL; Enzyme Commission (EC) number 3.1.1.13) has been a candidate triglyceridase for improving enzyme therapy for pancreatic insufficiency; however, its efficacy is near absent. We hypothesise that similarly to pancreatic lipase, BSSL is inhibited by phospholipids and this inhibition is relieved by Phospholipase A2 (PLA2; EC 3.1.1.4), and the present study was undertaken to explore this possibility. MATERIALS AND METHODS: Synthetic emulsions of triglyceride and phosphatidylcholine (PC) or lysophosphatidylcholine (LPC)/bile salt mixed micelles were used as a model of intestinal digestion-media...
July 21, 2017: Journal of Cystic Fibrosis: Official Journal of the European Cystic Fibrosis Society
https://www.readbyqxmd.com/read/28739055/dietary-fatty-acids-were-not-independently-associated-with-lipoprotein-subclasses-in-elderly-women
#13
Fatemeh Ramezan Alaghehband, Maria Lankinen, Miika Värri, Joonas Sirola, Heikki Kröger, Arja T Erkkilä
Dietary fatty acids are known to affect serum lipoproteins; however, little is known about the associations between consumption of dietary fatty acids and lipoprotein subclasses. In this study, we hypothesized that there is an association between dietary fatty acids and lipoprotein subclasses and investigated the cross-sectional association of dietary fat intake with subclasses of lipoproteins in elderly women. Altogether, 547 women (aged ≥65 years) who were part of OSTPRE cohort participated. Dietary intake was assessed by 3-day food records, lifestyle, and health information obtained through self-administrated questionnaires, and lipoprotein subclasses were determined by nuclear magnetic resonance spectroscopy...
July 2017: Nutrition Research
https://www.readbyqxmd.com/read/28738646/synthesis-characterization-and-application-of-a-novel-multifunctional-stationary-phase-for-hydrophilic-interaction-reversed-phase-mixed-mode-chromatography
#14
Hayriye Aral, K Serdar Çelik, Ramazan Altındağ, Tarık Aral
A novel multifunctional stationary phase based on silica gel was synthesised starting from L- isoleucine and 4-phenylbutylamine and evaluated as a hydrophilic interaction/reversed-phase mixed-mode stationary phase for high-performance liquid chromatography (HPLC). The prepared stationary phase was characterized by elemental analysis, infrared spectroscopy (IR), scanning electron microscopy (SEM), Brunauer, Emmett and Teller (BET) and solid-state (13)C nuclear magnetic resonance (NMR). The mechanisms involved in the chromatographic separation are multi-interaction, including hydrophobic, π-π, hydrogen-bonding, dipole-dipole and ion-dipole interactions...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28738439/terpenoids-from-the-oleo-gum-resin-of-boswellia-serrata-and-their-antiplasmodial-effects-in-vitro
#15
Hippolyt L Greve, Marcel Kaiser, Reto Brun, Thomas J Schmidt
In the course of our ongoing search for new natural products as leads against protozoal diseases, the dichloromethane extract of Indian frankincense, the oleo-gum-resin obtained from Boswellia serrata, showed in vitro activity against Plasmodium falciparum. Bioactivity-guided fractionation led to the isolation of eight diterpenes: (1S,3E,7E,11R)-verticilla-3,7,12(18)-triene (1), cembrene A (2), serratol (3), 1S,3E,7R,8R,11E-7,8-epoxy-cembra-3,11-dien-1-ol (4), incensole oxide (5), rel (1S,3R,7E,11S,12R)-1,12-epoxy-4-methylenecembr-7-ene-3, 11-diol (6), isoincensole oxide (7), and isodecaryiol (8)...
July 24, 2017: Planta Medica
https://www.readbyqxmd.com/read/28738230/fluorinated-tripodal-receptors-for-potentiometric-chloride-detection-in-biological-fluids
#16
Nadezda Pankratova, Maria Cuartero, Laura A Jowett, Ethan N W Howe, Philip A Gale, Eric Bakker, Gastón A Crespo
Fluorinated tripodal compounds were recently reported to be efficient transmembrane transporters for a series of inorganic anions. In particular, this class of receptors has been shown to be suitable for the effective complexation of chloride, nitrate, bicarbonate and sulfate anions via hydrogen bonding. The potentiometric properties of urea and thiourea-based fluorinated tripodal receptors are explored here for the first time, in light of the need for reliable sensors for chloride monitoring in undiluted biological fluids...
July 8, 2017: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/28737968/pattern-of-tumor-shrinkage-during-neoadjuvant-chemotherapy-is-associated-with-prognosis-in-low-grade-luminal-early-breast-cancer
#17
Ippei Fukada, Kazuhiro Araki, Kokoro Kobayashi, Tomoko Shibayama, Shunji Takahashi, Naoya Gomi, Yumi Kokubu, Katsunori Oikado, Rie Horii, Futoshi Akiyama, Takuji Iwase, Shinji Ohno, Kiyohiko Hatake, Naohiro Sata, Yoshinori Ito
Purpose To evaluate the association between tumor shrinkage patterns shown with magnetic resonance (MR) imaging during neoadjuvant chemotherapy (NAC) and prognosis in patients with low-grade luminal breast cancer. Materials and Methods This retrospective study was approved by the institutional review board and informed consent was obtained from all subjects. The low-grade luminal breast cancer was defined as hormone receptor-positive and human epidermal growth factor receptor 2-negative with nuclear grades 1 or 2...
July 24, 2017: Radiology
https://www.readbyqxmd.com/read/28736875/assessment-of-unilateral-ureter-obstruction-with-multi-parametric-mri
#18
Feng Wang, Keiko Takahashi, Hua Li, Zhongliang Zu, Ke Li, Junzhong Xu, Raymond C Harris, Takamune Takahashi, John C Gore
PURPOSE: Quantitative multi-parametric MRI (mpMRI) methods may allow the assessment of renal injury and function in a sensitive and objective manner. This study aimed to evaluate an array of MRI methods that exploit endogenous contrasts including relaxation rates, pool size ratio (PSR) derived from quantitative magnetization transfer (qMT), chemical exchange saturation transfer (CEST), nuclear Overhauser enhancement (NOE), and apparent diffusion coefficient (ADC) for their sensitivity and specificity in detecting abnormal features associated with kidney disease in a murine model of unilateral ureter obstruction (UUO)...
July 24, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/28736379/-preparation-of-nanoparticles-for-sustained-insulin-release-using-poly-ethylene-glycol-poly-%C3%AE%C2%B5-caprolactone-poly-n-n-diethylamino-2-ethylmethaerylate
#19
Lei Wu, Wen-Ting Zhu, Jun Wang, Jie Liu, Qing-Bing Zeng
OBJECTIVE: To prepare an insulin-loaded nanoparticle assembled using pH-sensitive poly(ethylene glycol)-poly(ε-caprolactone)-poly(N,N-diethylamino-2-ethylmethaerylate) (mPEG-PCL-PDEAEMA) and investigate its performance of sustained insulin release in vitro and its hypoglycemic effects in diabetic rats. METHDOS: mPEG-PCL-PDEAEMA triblock copolymers with different hydrophobic lengths were synthesized by ring opening polymerization (ROP) combined with atom transfer radical polymerization (ATRP)...
July 20, 2017: Nan Fang Yi Ke da Xue Xue Bao, Journal of Southern Medical University
https://www.readbyqxmd.com/read/28735547/nano-aramid-dressed-latex-particles-the-direct-synthesis-via-pickering-emulsion-polymerization
#20
Chunjie Xie, Teng Qiu, Jinglong Li, Heling Zhang, Xiaoyu Li, Xinlin Tuo
The direct synthesis of polymer microspheres modified by aramid nanofibers (ANF) is an interesting challenge. This work describes a simple aqueous process to prepare polystyrene (PS)/ANF composite microspheres, where the specific ANF network was "dressed" on PS. ANF was derived from the copolymerization of terephthaloyl chloride (TPC), p-phenylene diamine (PPD), and methoxypolyethylene glycol (MPEG), and could be dispersed in water stably. We applied the as-synthesized ANF as Pickering emulsifier in the o/w emulsion of styrene monomer...
July 22, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
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