Publications
1004 results found
Lindon JC, Nicholson JK, Wilson ID, 1996, Direct coupling of chromatographic separations to NMR spectroscopy, PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, Vol: 29, Pages: 1-49, ISSN: 0079-6565
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- Citations: 120
Lindon JC, Nicholson JK, Wilson ID, 1996, The development and application of coupled HPLC-NMR spectroscopy, ADVANCES IN CHROMATOGRAPHY, VOL 36, Vol: 36, Pages: 315-382, ISSN: 0065-2415
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- Citations: 60
SIDELMANN UG, GAVAGHAN C, CARLESS HAJ, et al., 1995, 750-MHZ DIRECTLY COUPLED HPLC-NMR - APPLICATION TO THE SEQUENTIAL CHARACTERIZATION OF THE POSITIONAL ISOMERS AND ANOMERS OF 2-FLUOROBENZOIC, 3-FLUOROBENZOIC, AND 4-FLUOROBENZOIC ACID GLUCURONIDES IN EQUILIBRIUM MIXTURES, ANALYTICAL CHEMISTRY, Vol: 67, Pages: 4441-4445, ISSN: 0003-2700
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- Citations: 41
Holmes E, Bonner FW, Nicholson JK, 1995, Comparative studies on the nephrotoxicity of 2-bromoethanamine hydrobromide in the Fischer 344 rat and the multimammate desert mouse (Mastomys natalensis), ARCHIVES OF TOXICOLOGY, Vol: 70, Pages: 89-95, ISSN: 0340-5761
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- Citations: 33
ANTHONY ML, HOLMES E, MCDOWELL PCR, et al., 1995, H-1-NMR SPECTROSCOPIC STUDIES ON THE REACTIONS OF HALOALKYLAMINES WITH BICARBONATE IONS - FORMATION OF N-CARBAMATES AND 2-OXAZOLIDONES IN CELL-CULTURE MEDIA AND BLOOD-PLASMA, CHEMICAL RESEARCH IN TOXICOLOGY, Vol: 8, Pages: 1046-1053, ISSN: 0893-228X
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- Citations: 12
Liu ML, Farrant RD, Gillam JM, et al., 1995, Selective inverse-detected long-range heteronuclear J-resolved NMR spectroscopy and its application to the measurement of (3)J(CH), JOURNAL OF MAGNETIC RESONANCE SERIES B, Vol: 109, Pages: 275-283, ISSN: 1064-1866
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- Citations: 29
Holmes E, Sweatman BC, Bollard ME, et al., 1995, Prediction of urinary sulphate and glucuronide conjugate excretion for substituted phenols in the rat using quantitative structure-metabolism relationships, XENOBIOTICA, Vol: 25, Pages: 1269-1281, ISSN: 0049-8254
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- Citations: 18
LINDON JC, FARRANT RD, SANDERSON PN, et al., 1995, SEPARATION AND CHARACTERIZATION OF COMPONENTS OF PEPTIDE LIBRARIES USING ON-FLOW COUPLED HPLC-NMR SPECTROSCOPY, MAGNETIC RESONANCE IN CHEMISTRY, Vol: 33, Pages: 857-863, ISSN: 0749-1581
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- Citations: 43
FOXALL PJD, BEWLEY S, NEILD GH, et al., 1995, ANALYSIS OF FETAL AND NEONATAL URINE USING PROTON NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY, ARCHIVES OF DISEASE IN CHILDHOOD-FETAL AND NEONATAL EDITION, Vol: 73, Pages: F153-F157, ISSN: 1359-2998
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- Citations: 38
SIDELMANN UG, GAVAGHAN C, CARLESS HAJ, et al., 1995, IDENTIFICATION OF THE POSITIONAL ISOMERS OF 2-FLUOROBENZOIC ACID 1-O-ACYL GLUCURONIDE BY DIRECTLY COUPLED HPLC-NMR, ANALYTICAL CHEMISTRY, Vol: 67, Pages: 3401-3404, ISSN: 0003-2700
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- Citations: 47
FOXALL PJD, BEWLEY S, KINGDOM JCP, et al., 1995, THE EFFECT OF GESTATIONAL-AGE ON THE URINARY-EXCRETION OF ORGANIC OSMOLYTES, JOURNAL OF THE AMERICAN SOCIETY OF NEPHROLOGY, Vol: 6, Pages: 361-361, ISSN: 1046-6673
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- Citations: 2
ANTHONY ML, FOXALL PJD, WHITE SJ, et al., 1995, WITHDRAWAL OF AN IMMORTALIZING GENE CONFERS A MORE DIFFERENTIATED PHENOTYPE IN ADULT RENAL EPITHELIAL-CELLS, JOURNAL OF THE AMERICAN SOCIETY OF NEPHROLOGY, Vol: 6, Pages: 358-358, ISSN: 1046-6673
FARRANT RD, SPRAUL M, WILSON ID, et al., 1995, ASSIGNMENT OF THE 750 MHZ H-1-NMR RESONANCES FROM A MIXTURE OF TRANSACYLATED ESTER GLUCURONIC-ACID CONJUGATES WITH THE AID OF OVERSAMPLING AND DIGITAL FILTERING DURING ACQUISITION, JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, Vol: 13, Pages: 971-977, ISSN: 0731-7085
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- Citations: 11
HOLMES E, CADDICK S, LINDON JC, et al., 1995, H-1 AND H-2 NMR SPECTROSCOPIC STUDIES ON THE METABOLISM AND BIOCHEMICAL EFFECTS OF 2-BROMOETHANAMINE IN THE RAT, BIOCHEMICAL PHARMACOLOGY, Vol: 49, Pages: 1349-1359, ISSN: 0006-2952
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- Citations: 44
Holmes E, Caddick S, Undon JC, et al., 1995, <sup>1</sup>H and <sup>2</sup>H NMR spectroscopic studies on the metabolism and biochemical effects of 2-bromoethanamine in the rat, Biochemical Pharmacology, Vol: 49, Pages: 1349-1359, ISSN: 0006-2952
Male Fischer 344 rats were dosed with 2-bromoethanamine hydrobromide (BEA, N = 6) or [1,1,2,2,-2H4]-bromoethanamine hydrobromide (BEA-d4, N = 6) at 150 mg/kg i.p. and urine was collected -24 to 0 hr pre-dose and at 0-2 hr, 2-4 hr, 4-8 hr and 8-12 hr post-dose (p.d.). Urine samples were analysed directly using 500 and 600 MHz 1H NMR and 92.1 MHz 2H NMR spectroscopy. The major observed effect of BEA treatment was the induction of transient elevations in urinary glutaric acid (GTA) and adipic acid (ADA) excretion lasting up to 24 hr p.d. Most of the GTA was excreted in the 0-8 hr p.d. with maximal rates of 100-120 μM/hr for each rat occurring between 4 and 8 hr p.d. in animals treated with BEA or BEA-d4. GTA and ADA were shown to be of endogenous origin as there was no detectable incorporation of the 2H label into either compound following treatment of rats with BEA-d4. Following BEA-treatment there was an initial decrease in the levels of urinary citrate, succinate, 2-oxoglutarate and trimethylamine-N-oxide. A subsequent recovery of citrate and succinate was noted following the onset of medullary nephropathy. The abnormal urinary metabolite profiles were similar to that observed in the urine of humans with glutaric aciduria type II (an inborn error of metabolism) caused by a lack of mitochondrial fatty acyl coenzyme A dehydrogenases indicating that BEA or its metabolites have similar metabolic consequences. The BEA metabolite aziridine was detected by 1H and 2H NMR spectroscopy of the urine 8 hr p.d. together with BEA itself and two novel metabolites 2-oxazolidone (OX) and 5-hydroxy-2-oxazolidone (HOX). The formation of OX requires the reaction of BEA with endogenous bicarbonate followed by a cyclisation reaction eliminating HBr. Dosing rats with authentic OX resulted in the excretion of HOX but did not cause glutaric or adipic aciduria indicating that either aziridine or BEA itself was responsible for the presumed defect in mitochondrial metabolism. © 1995.
NICHOLLS AW, CADDICK S, WILSON ID, et al., 1995, HIGH-RESOLUTION NMR SPECTROSCOPIC STUDIES ON THE METABOLISM AND FUTILE DEACETYLATION OF 4-HYDROXYACETANILIDE (PARACETAMOL) IN THE RAT, BIOCHEMICAL PHARMACOLOGY, Vol: 49, Pages: 1155-1164, ISSN: 0006-2952
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- Citations: 30
LIU M, FARRANT RD, SWEATMAN BC, et al., 1995, OBSERVATION OF SEPARATE J-RESOLVED H-1-NMR SPECTRA FROM CH, CH2, AND CH3 GROUPS USING A MAXIMUM-QUANTUM FILTER, JOURNAL OF MAGNETIC RESONANCE SERIES A, Vol: 113, Pages: 251-256, ISSN: 1064-1858
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- Citations: 19
Nicholson JK, Foxall PJ, Spraul M, et al., 1995, 750 MHz 1H and 1H-13C NMR spectroscopy of human blood plasma., Anal Chem, Vol: 67, Pages: 793-811, ISSN: 0003-2700
High-resolution 750 MHz 1H NMR spectra of control human blood plasma have been measured and assigned by the concerted use of a range of spin-echo, two-dimensional J-resolved, and homonuclear and heteronuclear (1H-13C) correlation methods. The increased spectral dispersion and sensitivity at 750 MHz enable the assignment of numerous 1H and 13C resonances from many molecular species that cannot be detected at lower frequencies. This work presents the most comprehensive assignment of the 1H NMR spectra of blood plasma yet achieved and includes the assignment of signals from 43 low M(r) metabolites, including many with complex or strongly coupled spin systems. New assignments are also provided from the 1H and 13C NMR signals from several important macromolecular species in whole blood plasma, i.e., very-low-density, low-density, and high-density lipoproteins, albumin, and alpha 1-acid glycoprotein. The temperature dependence of the one-dimensional and spin-echo 750 MHz 1H NMR spectra of plasma was investigated over the range 292-310 K. The 1H NMR signals from the fatty acyl side chains of the lipoproteins increased substantially with temperature (hence also molecular mobility), with a disproportionate increase from lipids in low-density lipoprotein. Two-dimensional 1H-13C heteronuclear multiple quantum coherence spectroscopy at 292 and 310 K allowed both the direct detection of cholesterol and choline species bound in high-density lipoprotein and the assignment of their signals and confirmed the assignment of most of the lipoprotein resonances.
NICHOLSON JK, FOXALL PJD, SPRAUL M, et al., 1995, 750-MHZ H-1 AND H-1-C-13 NMR-SPECTROSCOPY OF HUMAN BLOOD-PLASMA, ANALYTICAL CHEMISTRY, Vol: 67, Pages: 793-811, ISSN: 0003-2700
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- Citations: 909
LIU M, FARRANT RD, NICHOLSON JK, et al., 1995, SELECTIVE DETECTION OF H-1-NMR RESONANCES OF CHN GROUPS USING A HETERONUCLEAR MAXIMUM-QUANTUM FILTER AND PULSED-FIELD GRADIENTS, JOURNAL OF MAGNETIC RESONANCE SERIES B, Vol: 106, Pages: 270-278, ISSN: 1064-1866
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- Citations: 28
LIU M, FARRANT RD, LINDON JC, et al., 1995, 2-DIMENSIONAL H-1-H-1 AND C-13-H-1 MAXIMUM-QUANTUM CORRELATION NMR-SPECTROSCOPY WITH APPLICATION TO THE ASSIGNMENT OF THE NMR-SPECTRA OF THE BILE-SALT SODIUM TAUROCHOLATE, MAGNETIC RESONANCE IN CHEMISTRY, Vol: 33, Pages: 212-219, ISSN: 0749-1581
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- Citations: 19
ANTHONY ML, ROSE VS, NICHOLSON JK, et al., 1995, CLASSIFICATION OF TOXIN-INDUCED CHANGES IN H-1-NMR SPECTRA OF URINE USING AN ARTIFICIAL NEURAL-NETWORK, JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, Vol: 13, Pages: 205-211, ISSN: 0731-7085
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- Citations: 52
LIU M, FARRANT RD, NICHOLSON JK, et al., 1995, SELECTIVE DETECTION OF H-1-NMR RESONANCES OF (CHN)-C-13 GROUPS USING 2-DIMENSIONAL MAXIMUM-QUANTUM CORRELATION SPECTROSCOPY, JOURNAL OF MAGNETIC RESONANCE SERIES A, Vol: 112, Pages: 208-219, ISSN: 1064-1858
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- Citations: 23
Anthony ML, Holmes E, McDowell PCR, et al., 1995, <sup>1</sup>H NMR Spectroscopic Studies on the Reactions of Haloalkylamines with Bicarbonate Ions: Formation of N-Carbamates and 2-Oxazolidones in Cell Culture Media and Blood Plasma, Chemical Research in Toxicology, Vol: 8, Pages: 1046-1053, ISSN: 0893-228X
1H NMR spectroscopic methods have been applied to compare the in vitro reactivity of the renal papillary nephrotoxin 2-bromoethanamine (BEA) with those of selected halide-substituted nephrotoxic analogues, 2-chloroethanamine (CEA), 2-fluoroethanamine (FEA), and 1-phenyl-2-iodoethanamine (PIEA). The primary 1H NMR-detectable transformation during a 24 h incubation of confluent Madin Darby canine kidney (MDCK) cells with BEA, CEA, and FEA (at concentrations up to the IC50 determined by neutral red uptake) was the appearance in cell culture media of 2-oxazolidone (OX). Additional novel signals assigned as FEA carbamate (N-carbamoyl-2-fluoroethanamine) were observed in media collected following incubation of cells with FEA. We propose that N-carbamate intermediates are formed from the spontaneous reaction of these haloalkylamines with HCO3_-buffered growth media and that OX is formed from the carbamate via elimination of the hydrogen halide. Further 1H NMR experiments, conducted for up to 8 h at 25 °C on 5 mM solutions of BEA, CEA, and FEA in 2H2O containing a 20-fold excess of HCO3- at pH 7.6, demonstrated a time-dependent decrease in the concentration of the free haloalkylamines accompanied by the production of N-carbamate intermediates and OX. Under these pseudo-first-order reaction conditions, the formation of OX from BEA was complete within approximately 6 h. In similar reaction conditions OX formation from CEA (24 h after initiation) had reached 54% of its final equilibrium concentration. Equivalent experiments demonstrated that PIEA was almost completely converted to 4-phenyl-2-oxazolidinone (PHOX) within 2 h. These observations reveal the strong disposition of this series of haloalkylamines toward reaction with HCO3- and indicate that the compounds in this family may exist only transiently as free amines in vivo, where there will virtually always be excess HCO3-. The physiological relevance of the in vitro findings is further indicated by the NMR-detectable
Foxall PJD, Bewley S, Neild GH, et al., 1995, Analysis of fetal and neonatal urine using proton nuclear magnetic resonance spectroscopy, Archives of Disease in Childhood, Vol: 73, ISSN: 0003-9888
Aim: To use high field proton nuclear magnetic resonance spectroscopy (1H NMR) to characterise the low molecular weight metabolite composition of neonatal and fetal urine in relation to gestational age and perinatal outcome. Methods: The first urine passed by two neonatal groups, six full term and five preterm infants with normal renal function, was analysed by 1H NMR and compared with fetal urine from 14 cases with obstructive uropathy. Results: The mean ratios of taurine, myo-inositol, and trimethylamine-N-oxide (TMAO) to creatinine were 4.3, 10.1, and 14.1 times higher, respectively, in the preterm group when compared with those of the full term group. Fetal obstructive uropathy was characterised by glycosuria, amino and organic aciduria, regardless of gestational age (13-30 weeks). Conclusions: Samples of the first urine passed - that is, urine produced in fetal life - by normal preterm infants are useful controls for cases of obstructive uropathy detected in the third trimester. 1H NMR will become a clinically useful tool for monitoring renal development and abnormalities in utero.
Lindon JC, Nicholson JK, Wilson ID, 1995, The development and application of coupled HPLC-NMR spectroscopy, Advances in Chromatography, Pages: 315-382
ANTHONY ML, BEDDELL CR, LINDON JC, et al., 1994, STUDIES ON THE COMPARATIVE TOXICITY OF S-(1,2-DICHLOROVINYL)-L-CYSTEINE, S-(1,2-DICHLOROVINYL)-L-HOMOCYSTEINE AND 1,1,2-TRICHLORO-3,3,3-TRIFLUORO-1-PROPENE IN THE FISCHER-344 RAT, ARCHIVES OF TOXICOLOGY, Vol: 69, Pages: 99-110, ISSN: 0340-5761
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- Citations: 28
SPRAUL M, HOFMANN M, LINDON JC, et al., 1994, EVALUATION OF LIQUID-CHROMATOGRAPHY COUPLED WITH HIGH-FIELD H-1-NMR SPECTROSCOPY FOR DRUG METABOLITE DETECTION AND CHARACTERIZATION - THE IDENTIFICATION OF PARACETAMOL METABOLITES IN URINE AND BILE, NMR IN BIOMEDICINE, Vol: 7, Pages: 295-303, ISSN: 0952-3480
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- Citations: 66
SPRAUL M, NEIDIG P, KLAUCK U, et al., 1994, AUTOMATIC REDUCTION OF NMR SPECTROSCOPIC DATA FOR STATISTICAL AND PATTERN-RECOGNITION CLASSIFICATION OF SAMPLES, JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, Vol: 12, Pages: 1215-1225, ISSN: 0731-7085
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- Citations: 93
AKIRA K, FARRANT RD, LINDON JC, et al., 1994, HIGH-FIELD DEUTERIUM NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPIC MONITORING OF THE PHARMACOKINETICS OF SELECTIVELY DEUTERATED BENZOIC-ACID IN MAN, ANALYTICAL BIOCHEMISTRY, Vol: 221, Pages: 297-302, ISSN: 0003-2697
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- Citations: 11
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