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Article: Three-dimensional heteronuclear NMR techniques for assignment and conformational analysis using exchangeable protons in uniformly 13C-enriched oligosaccharides.

Harris, R / Rutherford, T J / Milton, M J / Homans, S W

2010 Volume 9, Issue 1, Page(s) 47–54

Abstract: We present heteronuclear three-dimensional gradient-NMR techniques for the resonanceassignment of exchangeable (-OH and -NH) protons in uniformly 13C isotopically enrichedoligosaccharides and for the measurement of 1H-1H nuclear Overhauser ... ...

Abstract	We present heteronuclear three-dimensional gradient-NMR techniques for the resonanceassignment of exchangeable (-OH and -NH) protons in uniformly 13C isotopically enrichedoligosaccharides and for the measurement of 1H-1H nuclear Overhauser enhancementsinvolving these protons. These techniques are derived from conventional HOHAHA-HSQCand NOESY(ROESY)-HSQC experiments, and are illustrated in application to a sample ofuniformly 13C-enriched Galbeta1-4GlcNAc, and demonstrate that a total of 35 ROEs involvingexchangeable protons can be detected and assigned. We present a quantitative analysis ofthese ROEs that can only be accommodated in a model of the solution behaviour of theoligosaccharide that involves considerable internal motion.
Language	English
Publishing date	2010-08-04
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1081696-3
ISSN	0925-2738
ISSN	0925-2738
DOI	10.1023/A:1018671517876
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Article: Psammoma bodies in cervicovaginal smears.

Zreik, T G / Rutherford, T J

Obstetrics and gynecology

2001 Volume 97, Issue 5 Pt 1, Page(s) 693–695

Abstract: Objective: To estimate the prevalence of psammoma bodies in routine cervical cytology specimens and describe clinical diagnoses associated with them in pre- and postmenopausal women.: Methods: We identified all reports that contained psammoma bodies ... ...

Abstract	Objective: To estimate the prevalence of psammoma bodies in routine cervical cytology specimens and describe clinical diagnoses associated with them in pre- and postmenopausal women. Methods: We identified all reports that contained psammoma bodies from a retrospective review of 34,816 cytology reports over 4 consecutive years from the computerized pathology database at Yale New-Haven Medical Center. Slides were reviewed to confirm and qualify psammoma bodies. Medical records of women with psammoma bodies were reviewed and information on follow-up was collected. Results: We identified 18 women with psammoma bodies on their Papanicolaou smears. The median age was 49.5 years (range 17--78 years). Seven of eight postmenopausal women had gynecologic malignancies. Five presented with postmenopausal bleeding and had uterine serous or clear-cell carcinomas. One presented with a pelvic mass that was ovarian serous carcinoma. Another had a serous carcinoma of the fallopian tube with only psammoma bodies on Papanicolaou smears. Only one of the remaining 11 nonmalignant cases was a postmenopausal woman. Conclusion: The prevalence of psammoma bodies in consecutively screened Papanicolaou smears was 18 of 34,816. Psammoma bodies on Papanicolaou smears are ominous in postmenopausal women. Their presence in asymptomatic premenopausal women warrants further evaluation, but not necessarily surgical exploration.
MeSH term(s)	Adolescent ; Adult ; Age Distribution ; Aged ; Female ; Genital Neoplasms, Female/epidemiology ; Genital Neoplasms, Female/pathology ; Humans ; Mass Screening ; Middle Aged ; Papanicolaou Test ; Postmenopause ; Precancerous Conditions/epidemiology ; Precancerous Conditions/pathology ; Premenopause ; Prevalence ; Retrospective Studies ; Risk Assessment ; Sensitivity and Specificity ; Vaginal Smears
Language	English
Publishing date	2001-05
Publishing country	United States
Document type	Journal Article
ZDB-ID	207330-4
ISSN	1873-233X ; 0029-7844
ISSN (online)	1873-233X
ISSN	0029-7844
DOI	10.1016/s0029-7844(01)01124-3
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Article: Efficacy and tolerability of combination cisplatin and ifosfamide chemotherapy with vaginal cuff brachytherapy in the first line treatment of uterine carcinosarcoma.

Abu-Khalaf, M M / Raza, M A / Hatzis, C / Wang, H / Lin, K / Higgins, S / Ratner, E / Silasi, D A / Azodi, M / Rutherford, T J / Santin, A Dd / Schwartz, P Ee

European journal of gynaecological oncology

2016 Volume 37, Issue 2, Page(s) 199–203

Abstract: Purpose of investigation: A retrospective study to evaluate six cycles of cisplatin 40 mg/m2 on day 1 and ifosfamide 1,200 mg/m2 daily on days 1 to 4 with Mesna every four weeks as first line treatment for 29 patients with a diagnosis of uterine ... ...

Abstract	Purpose of investigation: A retrospective study to evaluate six cycles of cisplatin 40 mg/m2 on day 1 and ifosfamide 1,200 mg/m2 daily on days 1 to 4 with Mesna every four weeks as first line treatment for 29 patients with a diagnosis of uterine carcinosarcoma. Materials and methods: A total of 23 of 29 patients received high dose rate intracavitary vaginal cuff brachytherapy (VCBT) with two fractions of seven Gy each. Median age was 65 years (range 40-82); 13 (44.8%) had Stage I disease, three (10.3%) had Stage II, eight (27.6%) had Stage III, and five (17.2%) patients had Stage IV disease. Results: Most common toxicities were anemia grade 1 (35%)/grade 2 (45%), and neutropenia grade 3 (17%)/grade 4 (6.9%). Eleven dose modifications, four treatment discontinuations, and one patient withdrawal occurred. At a median follow up of 45 months (range 9 to 144), Progression free survival (PFS) was 20% and overall survival (OS) was 40% for Stage IV, PFS 75% and OS 62.5% for Stage III, compared to a PFS 75% and OS 72.2% for Stages I-II. Median OS for the entire group was 12.43 years (95% CI 3.69 to inf); for Stage I-III 12.4 years (6.1 to inf), and for Stage IV 15.6 months (95% CI 9.4 to inf). Conclusions: Cisplatin and ifosfamide chemotherapy with VCBT was well tolerated and has promising activity in uterine carcinosarcoma.
MeSH term(s)	Adult ; Aged ; Aged, 80 and over ; Anemia/chemically induced ; Antineoplastic Combined Chemotherapy Protocols/therapeutic use ; Brachytherapy/methods ; Carcinosarcoma/pathology ; Carcinosarcoma/therapy ; Chemoradiotherapy ; Cisplatin/administration & dosage ; Disease-Free Survival ; Female ; Humans ; Ifosfamide/administration & dosage ; Mesna/therapeutic use ; Middle Aged ; Neoplasm Staging ; Neutropenia/chemically induced ; Protective Agents/therapeutic use ; Retrospective Studies ; Treatment Outcome ; Uterine Neoplasms/pathology ; Uterine Neoplasms/therapy
Chemical Substances	Protective Agents ; Mesna (NR7O1405Q9) ; Cisplatin (Q20Q21Q62J) ; Ifosfamide (UM20QQM95Y)
Language	English
Publishing date	2016-04-25
Publishing country	China
Document type	Journal Article
ZDB-ID	604589-3
ISSN	0392-2936
ISSN	0392-2936
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Article ; Online: Liver metastasis in a case of adenoid cystic carcinoma of the Bartholin's gland: a rare presentation.

Shahabi, Shohreh / Nathan, Lisa Marie / Chanana, Charu / Garett, Wendy / Zheng, W / Rutherford, T J

Archives of gynecology and obstetrics

2009 Volume 279, Issue 5, Page(s) 747–750

Abstract: Introduction: Adenoid cystic carcinoma of the Bartholin's gland accounts for a minority of all Bartholin's gland malignancies. Although local recurrences commonly occur distant metastasis is rare.: Case report: We present the first reported case of ... ...

Abstract	Introduction: Adenoid cystic carcinoma of the Bartholin's gland accounts for a minority of all Bartholin's gland malignancies. Although local recurrences commonly occur distant metastasis is rare. Case report: We present the first reported case of Adenoid cystic carcinoma of the Bartholin's gland with metastasis to the liver. Discussion: There is no consensus on the treatment of adenoid cystic carcinoma of the Bartholin's gland. Wide local excision and/or vulvectomy and radiotherapy are advocated for treatment of this cancer. There is not much data on treatment of metastasis and it varies according to site.
MeSH term(s)	Bartholin's Glands/pathology ; Biopsy, Fine-Needle ; Carcinoma, Adenoid Cystic/secondary ; Female ; Humans ; Liver Neoplasms/pathology ; Liver Neoplasms/secondary ; Middle Aged ; Tomography, X-Ray Computed ; Vulvar Neoplasms/pathology
Language	English
Publishing date	2009-05
Publishing country	Germany
Document type	Case Reports ; Journal Article
ZDB-ID	896455-5
ISSN	1432-0711 ; 0932-0067
ISSN (online)	1432-0711
ISSN	0932-0067
DOI	10.1007/s00404-008-0771-8
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Article: Proton resonance assignments in oligosaccharides containing multiple monosaccharide residues of the same type.

Rutherford, T J / Homans, S W

Journal of magnetic resonance. Series B

1995 Volume 106, Issue 1, Page(s) 10–13

Abstract: A technique is described for assisting the resonance assignment process in oligosaccharide proton NMR spectra, where multiple residues of the same type generate extreme resonance overlap in the spectrum. The approach involves the modification of a ... ...

Abstract	A technique is described for assisting the resonance assignment process in oligosaccharide proton NMR spectra, where multiple residues of the same type generate extreme resonance overlap in the spectrum. The approach involves the modification of a conventional HOHAHA experiment with constant-time acquisition in t1, which effectively proton decouples the C-1 protons of residues whose resonances overlap, thus affording a significant increase in effective resolution in that dimension. For a sufficiently long spin-lock time, complete one-dimensional subspectra are obtained essentially free of cross talk from adjacent resonances. Further simplification of the assignment process is illustrated by incorporation of the constant-time modification into a three-dimensional HOHAHA-HOHAHA experiment.
MeSH term(s)	Acetylglucosamine/analysis ; Hydrogen ; Magnetic Resonance Spectroscopy/methods ; Monosaccharides/analysis ; Oligosaccharides/analysis ; Polyisoprenyl Phosphate Sugars/analysis ; Polysaccharides/analysis ; Protons
Chemical Substances	Monosaccharides ; Oligosaccharides ; Polyisoprenyl Phosphate Sugars ; Polysaccharides ; Protons ; Hydrogen (7YNJ3PO35Z) ; Acetylglucosamine (V956696549)
Language	English
Publishing date	1995-01
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2012011-4
ISSN	1096-0872 ; 1064-1866
ISSN (online)	1096-0872
ISSN	1064-1866
DOI	10.1006/jmrb.1995.1002
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Article: Restrained vs free dynamics simulations of oligosaccharides: application to solution dynamics of biantennary and bisected biantennary N-linked glycans.

Rutherford, T J / Homans, S W

Biochemistry

1994 Volume 33, Issue 32, Page(s) 9606–9614

Abstract: We have examined the dynamic behavior in solution of the biantennary glycan GlcNAc beta 1-2Man alpha 1-6(GlcNAc beta 1-2Man alpha 1-3)Man beta 1- 4GlcNAc beta 1-4GlcNAc, and its "bisected" analogue GlcNAc beta 1-2Man alpha 1-6(GlcNAc beta 1-2Man alpha 1- ... ...

Abstract	We have examined the dynamic behavior in solution of the biantennary glycan GlcNAc beta 1-2Man alpha 1-6(GlcNAc beta 1-2Man alpha 1-3)Man beta 1- 4GlcNAc beta 1-4GlcNAc, and its "bisected" analogue GlcNAc beta 1-2Man alpha 1-6(GlcNAc beta 1-2Man alpha 1-3)(GlcNAc beta 1- 4)Man beta 1-4GlcNAc beta 1-4GlcNAc, by use of both free dynamics simulations and restrained dynamics simulations using distance restraints derived from 1H NMR rotating frame Overhauser effect measurements. Data resulting from each type of simulation are compared with experimental data and are critically evaluated. Both methods suggest that most glycosidic linkages exhibit significant torsional oscillations in solution, and the dynamic behavior of certain linkages, notably Man alpha 1-6Man and Man alpha 1-3Man, were found to be restricted by the presence of the bisecting GlcNAc residue. The average structures so obtained were found to agree closely with those predicted in previous investigations where torsional oscillations about glycosidic linkages were not considered. In particular, the characteristic chemical shift perturbations induced by the bisecting GlcNAc residue could be explained in terms of the dynamic differences between the two glycans.
MeSH term(s)	Acetylglucosamine/chemistry ; Carbohydrate Conformation ; Carbohydrate Sequence ; Computer Simulation ; Disaccharides/chemistry ; Glycosides/chemistry ; Models, Molecular ; Molecular Sequence Data ; Oligosaccharides/chemistry ; Polysaccharides/chemistry ; Solutions
Chemical Substances	Disaccharides ; Glycosides ; Oligosaccharides ; Polysaccharides ; Solutions ; Acetylglucosamine (V956696549)
Language	English
Publishing date	1994-08-16
Publishing country	United States
Document type	Comparative Study ; Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1108-3
ISSN	1520-4995 ; 0006-2960
ISSN (online)	1520-4995
ISSN	0006-2960
DOI	10.1021/bi00198a029
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Article: Studies on the three-dimensional behaviour of the selectin ligands Lewis(a) and sulphated Lewis(a) using NMR spectroscopy and molecular dynamics simulations.

Kogelberg, H / Rutherford, T J

Glycobiology

1994 Volume 4, Issue 1, Page(s) 49–57

Abstract: Sulphated blood group Lewis(a)/Lewis(x) (Le(a)/Le(x)) type sequences, with sulphate at the 3-position of galactose, have emerged as potent ligands for the endothelial adhesion molecule E-selectin and the leukocyte adhesion molecule L-selectin. As a first ...

Abstract	Sulphated blood group Lewis(a)/Lewis(x) (Le(a)/Le(x)) type sequences, with sulphate at the 3-position of galactose, have emerged as potent ligands for the endothelial adhesion molecule E-selectin and the leukocyte adhesion molecule L-selectin. As a first step in elucidating the molecular basis of the strong interactions with the selectins, we have performed conformational studies of the sulphated Le(a) in comparison with the non-sulphated analogue which is less strongly bound by E-selectin and not at all by L-selectin. Experimental NMR parameters [nuclear Overhauser effects (NOE) and interglycosidic 3JC,H] and theoretical values back-calculated from the minimum energy structures are in excellent agreement for both molecules. Molecular dynamics calculations for SuLe(a) depict only minor torsional fluctuations around the glycosidic linkages over the time course of the 500 ps simulations, leading to the conclusion that the conformation of SuLe(a) approximates to a single-rigid structure, as does the previously investigated Le(a) molecule. Comparison of experimentally and theoretically obtained parameters for SuLe(a) with those for the non-sulphated Le(a) molecule indicate that no detectable changes occur in the three-dimensional structure of the trisaccharide upon sulphation. Thus, the enhanced selectin binding to the sulphated Le(a) is most likely due to favourable electrostatic interactions between the charged sulphate group and corresponding charged groups on the selectin protein.
MeSH term(s)	Carbohydrate Conformation ; Carbohydrate Sequence ; Cell Adhesion Molecules/metabolism ; Glycosides/chemistry ; Lewis Blood-Group System/chemistry ; Ligands ; Magnetic Resonance Spectroscopy ; Models, Molecular ; Molecular Sequence Data ; Oxidation-Reduction ; Sulfates
Chemical Substances	Cell Adhesion Molecules ; Glycosides ; Lewis Blood-Group System ; Ligands ; Sulfates
Language	English
Publishing date	1994-02
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1067689-2
ISSN	1460-2423 ; 0959-6658
ISSN (online)	1460-2423
ISSN	0959-6658
DOI	10.1093/glycob/4.1.49
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Article: Synthesis, analysis and rearrangement of novel unnatural glucosinolates.

Davidson, N E / Rutherford, T J / Botting, N P

Carbohydrate research

2001 Volume 330, Issue 3, Page(s) 295–307

Abstract: As part of a structure activity study to examine the interaction of glucosinolates with leaf surfaces, a number of glucosinolates were synthesised bearing novel side chain functionalities. These included 7-carboxyheptyl, heptyl, and naphthyl side chains. ...

Abstract	As part of a structure activity study to examine the interaction of glucosinolates with leaf surfaces, a number of glucosinolates were synthesised bearing novel side chain functionalities. These included 7-carboxyheptyl, heptyl, and naphthyl side chains. For the carboxyheptyl glucosinolate, a novel intramolecular rearrangement reaction was observed during the final deprotection step, which generated an ester attached to the C-3 of glucose. Studies by 1H NMR spectroscopy showed that the hydrophobic side chain associated with one face of the glucose ring and it was proposed that this was the driving force for the rearrangement. Similar hydrophobic interactions were also observed between the heptyl and naphthyl side chains and the glucose.
MeSH term(s)	Carbohydrate Conformation ; Glucose/chemistry ; Glucosinolates/chemical synthesis ; Glucosinolates/chemistry ; Hydrogen ; Indicators and Reagents ; Magnetic Resonance Spectroscopy ; Models, Molecular ; Molecular Structure ; Structure-Activity Relationship
Chemical Substances	Glucosinolates ; Indicators and Reagents ; Hydrogen (7YNJ3PO35Z) ; Glucose (IY9XDZ35W2)
Language	English
Publishing date	2001-02-15
Publishing country	Netherlands
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1435-7
ISSN	1873-426X ; 0008-6215
ISSN (online)	1873-426X
ISSN	0008-6215
DOI	10.1016/s0008-6215(00)00308-6
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Article: Design, synthesis and characterisation of a peptide with oxaloacetate decarboxylase activity.

Taylor, S E / Rutherford, T J / Allemann, R K

Bioorganic & medicinal chemistry letters

2001 Volume 11, Issue 19, Page(s) 2631–2635

Abstract: The synthesis of Oxaldie-3, a synthetic 31-residue peptide with oxaloacetate decarboxylase activity, is described. Biophysical characterisation by gel filtration, CD and NMR spectroscopy indicated that the peptide adopted a folded structure in solution. ... ...

Abstract	The synthesis of Oxaldie-3, a synthetic 31-residue peptide with oxaloacetate decarboxylase activity, is described. Biophysical characterisation by gel filtration, CD and NMR spectroscopy indicated that the peptide adopted a folded structure in solution. Oxaldie-3 was an efficient catalyst at concentrations as low as 2 microM, 100-fold lower than the previously described Oxaldie-2, which relied on aggregating alpha-helices for activity. Oxaldie-3 speeded decarboxylation by more than three orders of magnitude relative to simple amines.
MeSH term(s)	Amino Acid Sequence ; Carboxy-Lyases/chemistry ; Carboxy-Lyases/metabolism ; Catalysis ; Circular Dichroism ; Kinetics ; Models, Molecular ; Molecular Sequence Data ; Oligopeptides/chemical synthesis ; Oligopeptides/chemistry ; Oligopeptides/metabolism ; Peptides/chemical synthesis ; Peptides/chemistry ; Peptides/metabolism ; Protein Conformation ; Sequence Homology, Amino Acid
Chemical Substances	Oligopeptides ; Peptides ; oxaldie-3 ; Carboxy-Lyases (EC 4.1.1.-) ; oxaloacetate decarboxylase (EC 4.1.1.112)
Language	English
Publishing date	2001-10-08
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1063195-1
ISSN	1464-3405 ; 0960-894X
ISSN (online)	1464-3405
ISSN	0960-894X
DOI	10.1016/s0960-894x(01)00519-4
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Article: Reducing the overlap problem in the proton NMR spectra of oligosaccharides by application of pseudo-four-dimensional homonuclear HOHAHA-HOHAHA-COSY.

Rutherford, T J / Homans, S W

Glycobiology

1992 Volume 2, Issue 4, Page(s) 293–298

Abstract: A new homonuclear NMR experiment is described for the assignment of the proton NMR spectra of oligosaccharides, namely HOHAHA-HOHAHA-COSY (where HOHAHA is homonuclear Hartmann-Hahn spectroscopy and COSY is correlated spectroscopy). While this technique ... ...

Abstract	A new homonuclear NMR experiment is described for the assignment of the proton NMR spectra of oligosaccharides, namely HOHAHA-HOHAHA-COSY (where HOHAHA is homonuclear Hartmann-Hahn spectroscopy and COSY is correlated spectroscopy). While this technique may formally be thought of as a four-dimensional NMR experiment, by use of selective pulses it is demonstrated that the analogous pseudo-four-dimensional experiment is a valuable improvement over conventional three-dimensional HOHAHA-COSY, in that the degree of resonance overlap is markedly reduced by the dispersion of resonances into a fourth effective dimension. The technique is demonstrated by application to the biantennary nonasaccharide Gal beta 1-4-GlcNAc beta 1-2Man alpha 1-6(Gal beta 1-4GlcNAc beta 1-2Man alpha 1-3)Man-beta 1-4GlcNAc beta 1-4GlcNAc.
MeSH term(s)	Carbohydrate Conformation ; Carbohydrate Sequence ; Magnetic Resonance Spectroscopy/methods ; Molecular Sequence Data ; Oligosaccharides/chemistry
Chemical Substances	Oligosaccharides
Language	English
Publishing date	1992-08
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1067689-2
ISSN	1460-2423 ; 0959-6658
ISSN (online)	1460-2423
ISSN	0959-6658
DOI	10.1093/glycob/2.4.293
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