Semantic Mediation to Improve Reproducibility for Biomolecular NMR Analysis

Glucosylation of the cis- and trans-isomers of 2-(4-methoxybenzyl)cyclohexan-1-ol (1a/1b, 2a/2b, 1a or 2a) was performed to prepare the corresponding alkyl β-D-glucopyranosides, mainly to get analytical data of pure enantiomers of the glucosides (3a-6b), required for subsequent investigations of related compounds with biological activity. One of the employed modifications of the Koenigs-Knorr synthesis resulted in achieving 85-95% yields of pure β-anomers 3a/3b, 4a/4b, 3a or 4a of protected intermediates, with several promoters and toluene as solvent, yielding finally the deprotected products 5a/5b, 6a/6b, 5a or 6a as pure β-anomers. To obtain enantiomerically pure β-anomers of the target structure (3a, 4a, 5a and 6a) for unambiguous structure assignment, an enzymic reduction of 2-(4-methoxybenzyl)cyclohexan-1-one by Saccharomyces cerevisiae whole cells was performed to get (1S,2S)- and (1S,2R)-enantiomers (1a and 2a) of 2-(4-methoxybenzyl)cyclohexan-1-ol. The opposite enantiomers of alkyl β-D-glucopyranosides (5b and 6b) were obtained by separation of the diastereoisomeric mixtures 5a/5b and 6a/6b by chiral HPLC. All stereoisomers of the products (3a-6b) were subjected to a detailed 1H NMR and 13C NMR analysis.

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Semantic Health Mediation and Access Control Manager for Interoperability Among Healthcare Systems

Journal of Information Technology Research ◽

10.4018/jitr.2018100106 ◽

2018 ◽

Vol 11 (4) ◽

pp. 87-98

Author(s):

Abdullah Alamri

Keyword(s):

Medical Information ◽

Clinical Information ◽

Healthcare Systems ◽

Patient Data ◽

Dual Model ◽

Healthcare Organizations ◽

Reference Information ◽

Proposed Model ◽

Definition Of ◽

Semantic Mediation

Healthcare systems have evolved to become more patient-centric. Many efforts have been made to transform paper-based patient data to automated medical information by developing electronic healthcare records (EHRs). Several international EHRs standards have been enabling healthcare interoperability and communication among a wide variety of medical centres. It is a dual-model methodology which comprises a reference information model and an archetype model. The archetype is responsible for the definition of clinical concepts which has limitations in terms of supporting complex reasoning and knowledge discovery requirements. The objective of this article is to propose a semantic-mediation architecture to support semantic interoperability among healthcare organizations. It provides an intermediate semantic layer to exploit clinical information based on richer ontological representations to create a “model of meaning” for enabling semantic mediation. The proposed model also provides secure mechanisms to allow interoperable sharing of patient data between healthcare organizations.

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High Resolution NMR Analysis of the Composition of Copolymer and Mixture of 6-Nylon and 66-Nylon

The Journal of the Society of Chemical Industry Japan ◽

10.1246/nikkashi1898.70.4_460 ◽

1967 ◽

Vol 70 (4) ◽

pp. 460-465

Author(s):

Mitsuru YAMAZAKI ◽

Tsugio TAKEUCHI

Keyword(s):

High Resolution ◽

Nmr Analysis ◽

High Resolution Nmr

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Structural Characterization of a Polysaccharide from Gastrodia elata and Its Bioactivity on Gut Microbiota

Molecules ◽

10.3390/molecules26154443 ◽

2021 ◽

Vol 26 (15) ◽

pp. 4443

Author(s):

Jiangyan Huo ◽

Min Lei ◽

Feifei Li ◽

Jinjun Hou ◽

Zijia Zhang ◽

...

Keyword(s):

Molecular Weight ◽

Citric Acid ◽

Gut Microbiota ◽

Structural Characterization ◽

Hot Water ◽

Nmr Analysis ◽

Gastrodia Elata ◽

Hot Water Extraction ◽

Hydroxybenzyl Alcohol

A novel homogeneous polysaccharide named GEP-1 was isolated and purified from Gastrodia elata (G. elata) by hot-water extraction, ethanol precipitation, and membrane separator. GEP-1, which has a molecular weight of 20.1 kDa, contains a polysaccharide framework comprised of only glucose. Methylation and NMR analysis showed that GEP-1 contained 1,3,6-linked-α-Glcp, 1,4-linked-α-Glcp, 1,4-linked-β-Glcp and 1,4,6-linked-α-Glcp. Interestingly, GEP-1 contained citric acid and repeating p-hydroxybenzyl alcohol as one branch. Furthermore, a bioactivity test showed that GEP-1 could significantly promote the growth of Akkermansia muciniphila (A. muciniphila) and Lacticaseibacillus paracasei (L.paracasei) strains. These results implied that GEP-1 might be useful for human by modulating gut microbiota.

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Mono- and Dinitro-BN-Naphthalenes: Formation and Characterization

Molecules ◽

10.3390/molecules26144209 ◽

2021 ◽

Vol 26 (14) ◽

pp. 4209

Author(s):

Mao-Xi Zhang ◽

Nathaniel B. Zuckerman ◽

Philip F. Pagoria ◽

Bradley A. Steele ◽

I-Feng Kuo ◽

...

Keyword(s):

Electron Density ◽

Nmr Analysis ◽

X Ray ◽

Boron Nitrogen

Mono- and dinitro-BN-naphthalenes, i.e., 1-nitro-, 3-nitro-, 1,6-dinitro-, 3,6-dinitro-, and 1,8-dinitro-BNN, were generated in the nitration of 9,10-BN-naphthalene (BNN), a boron–nitrogen (BN) bond-embedded naphthalene, with AcONO2 and NO2BF4 in acetonitrile. The nitrated products were isolated and characterized by NMR, GC-MS, IR, and X-ray single crystallography. The effects of the nitration on the electron density and aromaticity of BNN were evaluated by B-11 NMR analysis and HOMA calculations.

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