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Ab initio:
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Fragment-based:
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Structure from chemical shifts:
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WeNMR CS-Rosetta
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CS23D
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Torsion angles from chemical shifts:
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Secondary structure from chemical shifts:
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MICS caps, β-turns
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Flexibility from chemical shifts:
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Interactions from chemical shifts:
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Chemical shifts re-referencing:
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UNIO Shiftinspector
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Molecular dynamics:
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From structure:
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PPM
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From sequence:
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Disordered proteins:
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Format conversion & validation:
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NMR sample preparation:
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Old 08-04-2015, 03:00 PM
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Default Discrimination of human semen specimens by NMR data, sperm parameters, and statistical analysis.

Discrimination of human semen specimens by NMR data, sperm parameters, and statistical analysis.

Discrimination of human semen specimens by NMR data, sperm parameters, and statistical analysis.

Syst Biol Reprod Med. 2015 Aug 3;:1-7

Authors: Bonechi C, Collodel G, Donati A, Martini S, Moretti E, Rossi C

Abstract
Human seminal fluid is a complex mixture of secretions originated from epididymis and the male accessory sex glands. It contains a variety of both inorganic and organic components, among which proteins are a major part of the high molecular-mass substances. In this study, 83 human seminal plasma samples were analyzed using a combined Nuclear Magnetic Resonance (NMR) Spectroscopy and Principal Component Analysis (PCA) approach to discriminate patients in relation to semen characteristics and/or conditions affecting the fertility status. Results showed a discrimination between patients with leukocytospermia and with the concomitant presence of varicocele/ex varicocele and leukocytospermia. Patients with testicular cancer, necrozoospermia, and azoospermia were separated from the other patient clusters. In addition, a differentiation of semen quality was also possible. This study represents to first use of sperm parameters together with NMR data as variables in the PCA analysis. Furthermore, this methodology allows the identification of the metabolites which play the most important role in identifying differences among human seminal plasma samples.


PMID: 26236922 [PubMed - as supplied by publisher]



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