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https://www.readbyqxmd.com/read/28823097/epitope-mapping-of-histo-blood-group-antigens-bound-to-norovirus-vlps-using-std-nmr-experiments-reveals-fine-details-of-molecular-recognition
#1
Brigitte Fiege, Mila Leuthold, Francisco Parra, Kevin P Dalton, Peter J Meloncelli, Todd L Lowary, Thomas Peters
Attachment of human noroviruses to histo blood group antigens (HBGAs) is thought to be critical for the infection process. Therefore, we have determined binding epitopes of synthetic type 1 to 6 blood group A- and B-tetrasaccharides binding to GII.4 human Norovirus virus like particles (VLPs) using STD NMR experiments. So far, little information is available from crystal structure analysis studies on the interactions of the reducing-end sugars with the protruding domain (P-domain) of the viral coat protein VP1...
August 19, 2017: Glycoconjugate Journal
https://www.readbyqxmd.com/read/28823028/backbone-resonance-assignments-of-complexes-of-human-voltage-dependent-sodium-channel-nav1-2-iq-motif-peptide-bound-to-apo-calmodulin-and-to-the-c-domain-fragment-of-apo-calmodulin
#2
Ryan Mahling, Adina M Kilpatrick, Madeline A Shea
Human voltage-gated sodium channel NaV1.2 has a single pore-forming α-subunit and two transmembrane β-subunits. Expressed primarily in the brain, NaV1.2 is critical for initiation and propagation of action potentials. Milliseconds after the pore opens, sodium influx is terminated by inactivation processes mediated by regulatory proteins including calmodulin (CaM). Both calcium-free (apo) CaM and calcium-saturated CaM bind tightly to an IQ motif in the C-terminal tail of the α-subunit. Our thermodynamic studies and solution structure (2KXW) of a C-domain fragment of apo (13)C,(15)N- CaM (CaMC) bound to an unlabeled peptide with the sequence of rat NaV1...
August 19, 2017: Biomolecular NMR Assignments
https://www.readbyqxmd.com/read/28822346/comparative-study-of-single-combination-use-of-huang-lian-jie-du-decoction-and-berberine-on-their-protection-on-sepsis-induced-acute-liver-injury-by-nmr-metabolic-profiling
#3
Yan Lv, Junsong Wang, Dingqiao Xu, Shanting Liao, Pei Li, Qian Zhang, Minghua Yang, Lingyi Kong
Sepsis is a serious clinical disease with a high mortality rate all around the world. Liver organ dysfunction is an important sign for the severity and outcome of sepsis in patients. In this study, (1)H NMR-based metabolomics approach and biochemical assays were applied to investigate the metabolic profiling for cecal ligation and puncture (CLP) induced acute liver injury, the therapeutical effect of single/combination use of Huang-Lian-Jie-Du decoction (HLJDD) and berberine, and the interaction of them. Metabolomics analysis revealed significant perturbations in livers of septic rats, which could be ameliorated by HLJDD, berberine and their combination treatment...
August 1, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28822304/a-flow-through-elevated-temperature-and-pressure-nmr-apparatus-for-in-situ-co2-sequestration-studies
#4
Erika L Sesti, Jinlei Cui, Sophia E Hayes, Mark S Conradi
We report an apparatus for in-situ nuclear magnetic resonance (NMR) studies of chemical reactions of dissolved (13)CO2 with minerals (rock or powder) under continuous flow. The operating range of the apparatus is 18-150°C and 1-140bar. A flow pump is used to circulate a CO2-water solution, with a heated mixing vessel where CO2 gas equilibrates with a water solution. The NMR probe is built around a strong zirconia ceramic vessel, with o-ring sealed connections; the mineral is contained inside. The horizontal orientation of the zirconia vessels allows use of a radio frequency (rf) solenoid for improved spin sensitivity...
August 12, 2017: Journal of Magnetic Resonance
https://www.readbyqxmd.com/read/28822283/assessment-of-integrated-process-based-on-autohydrolysis-and-robust-delignification-process-for-enzymatic-saccharification-of-bamboo
#5
Tian-Ying Chen, Jia-Long Wen, Bing Wang, Han-Min Wang, Chuan-Fu Liu, Run-Cang Sun
In this study, bamboo (Phyllostachys pubescens) was successfully deconstructed using an integrated process (autohydrolysis and subsequent delignification). Xylooligosaccharides, high-purity lignin, and digestible substrates for producing glucose can be consecutively collected during the integrated process. The structural change and fate of lignin during autohydrolysis process was deeply investigated. Additionally, the structural characteristics and active functional groups of the lignin fractions obtained by these delignification processes were thoroughly investigated by NMR (2D-HSQC and (31)P NMR) and GPC techniques...
August 9, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28822187/-enzymatic-glycosylation-of-4-demethylepipodophyllotoxin
#6
Ke-Bo Xie, Ri-Dao Chen, Yu-Jiao Zhang, Da-Wei Chen, Jun-Gui Dai
The glycosides of 4'-demethylepipodophyllotoxin (DMEP) possess various pharmacological activities; however, the chemical synthesis of these glycosides faces challenges in regioselectivity, stereoselectivity, and the protection and de-protection of functional groups. In this work, a novel glycosyltransferase (GT) gene AbGT5 from Aloe barbadensis was successfully cloned, heterogeneously expressed and purified. Recombinant AbGT5 was able to catalyze the glycosylation of DMEP and the glycosylated product, which was separated from the preparative scale reaction, was characterized as DMEP 4'-O-β-D-glucoside via MS, 1H-NMR, 13C-NMR, HSQC and HMBC...
June 2017: Zhongguo Zhong Yao za Zhi, Zhongguo Zhongyao Zazhi, China Journal of Chinese Materia Medica
https://www.readbyqxmd.com/read/28822186/-lignan-glycosides-and-sucrose-esters-from-roots-of-securidaca-inappendiculata
#7
Zhi Wang, Xue-Dong Yang, Hai-Yan Zha, Li-Na Guo, Dan Shen, Li-Zhen Xu, Shi-Lin Yang
Nine compounds, including five lignan glycosides (1-5), three sucrose esters (6-8), and one organic acid ester (9), were isolated from the ethanol extract of the roots of Securidaca inappendiculata by various chromatographic methods including silica gel, MPLC and preparative HPLC. Their structures were elucidated as acernikol-4″-O-β-D-glucopyranoside (1), (7R, 8S)-dihydrodehydrodiconiferyl alcohol 9-O-β-D-glucopyranoside (2), (7R, 8S)-dihydrodehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside (3), (7R, 8S)-dihydrodehydrodiconiferyl alcohol 9'-O-β-D-glucopyranoside (4), (7R, 8S)-5-methoxydihydrodehy-drodiconiferyl alcohol 4-O-β-D-glucopyranoside (5), 3, 6'-O-diferuloylsucrose (6), 3-O-feruloyl-6'-O-sinapoylsucrose (7), sibricose A5 (8), and mehyl ferulate (9) on the basis of 1H-, 13C-NMR and MS experiments...
June 2017: Zhongguo Zhong Yao za Zhi, Zhongguo Zhongyao Zazhi, China Journal of Chinese Materia Medica
https://www.readbyqxmd.com/read/28822153/-analyze-moisture-transformation-and-transport-rules-during-processing-of-paeoniae-radix-alba-by-using-low-field-nmr
#8
Wen-Juan Duan, Yue Li, Li Cui, Feng Liu, Guo-Hong Yang, Lan-Ping Guo, Xiao Wang
Moisture status and content during the processing of Paeoniae Radix Alba were studied by nuclear magnetic resonance (NMR) and nuclear magnetic resonance imaging (MRI) to investigate the changes of transverse relaxation time (T ₂) and MRI images during boiling and drying processes of Paeoniae Radix Alba. The results showed that water in Paeoniae Radix Alba fresh products was major of free water, and in the boiling process, the content of free water increased whereas the content of bound water declined. At the end of boiling, content of free water reached over 90%...
June 2017: Zhongguo Zhong Yao za Zhi, Zhongguo Zhongyao Zazhi, China Journal of Chinese Materia Medica
https://www.readbyqxmd.com/read/28822032/synthesis-of-rigid-polyurethane-foams-from-phosphorylated-biopolyols
#9
Juan Carlos de Haro, Daniel López-Pedrajas, Ángel Pérez, Juan Francisco Rodríguez, Manuel Carmona
Renewable resources are playing a key role on the synthesis of biodegradable polyols. Moreover, the incorporation of covalently linked additives is increasing in importance in the polyurethane (PU) market. In this work, previously epoxidized grape seed oil and methyl oleate were transformed into phosphorylated biopolyols through an acid-catalyzed ring-opening hydrolysis in the presence of H3PO4. The formation of phosphate polyesters was confirmed by FT-IR and (31)P-NMR. However, the synthesis of a high-quality PU rigid foam was not possible using exclusively these polyols attending to their low hydroxyl value...
August 18, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28822030/ceramicines-m-p-from-chisocheton-ceramicus-isolation-and-structure-activity-relationship-study
#10
Alfarius Eko Nugroho, Akiyo Hashimoto, Chin-Piow Wong, Hiromasa Yokoe, Masayoshi Tsubuki, Toshio Kaneda, A Hamid A Hadi, Hiroshi Morita
Ceramicines are a series of limonoids which were isolated from the bark of Malaysian Chisocheton ceramicus (Meliaceae) and show various biological activities. Ceramicine B, in particular, has been reported to show a strong lipid droplet accumulation (LDA) inhibitory activity on a mouse pre-adipocyte cell line (MC3T3-G2/PA6). With the purpose of discovering compounds with stronger activity than ceramicine B, we further investigated the constituents of C. ceramicus. As a result, from the bark of C. ceramicus four new ceramicines (ceramicines M-P, 1-4) were isolated, and their structures were determined on the basis of NMR and mass spectroscopic analyses in combination with NMR chemical shift calculations...
August 18, 2017: Journal of Natural Medicines
https://www.readbyqxmd.com/read/28821883/synthesis-of-pincer-type-extractants-for-selective-extraction-of-palladium-from-pgms-an-improved-liquid-liquid-extraction-approach-to-current-refining-processes
#11
Muniyappan Rajiv Gandhi, Manabu Yamada, Kazutoshi Haga, Atsushi Shibayama
SCS pincer ligands 1-4 were synthesised, and their ability to extract Pd(II) from HCl and HNO3 media was studied. The Pd(II) extraction properties of 1-4 were compared with those of commercial extractants (DOS and LIX(®)84-I) in kerosene. 1 and 2 showed superior Pd(II) extractability (E% = 99.9) relative to DOS and LIX(®)84-I from 0.1-8.0 M HCl and to DOS from 0.1-8.0 M HNO3 and mixed HCl + HNO3 media. The Pd(II) extraction rate, acid durability, the most suitable organic/aqueous (O/A) phase ratio, and Pd(II) loading capacity of extractants 1, 2, and DOS were evaluated...
August 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28821850/comparative-metabonomics-of-wenxin-keli-and-verapamil-reveals-differential-roles-of-gluconeogenesis-and-fatty-acid-%C3%AE-oxidation-in-myocardial-injury-protection
#12
Miaomiao Jiang, Qiuying Wang, Jingrui Chen, Yanan Wang, Guanwei Fan, Yan Zhu
Metabonomics/metabolomics is a rapid technology for comprehensive profiling of small molecule metabolites in cells, tissues, or whole organisms, the application of which has led to understanding pathophysiologic mechanisms of cardiometabolic diseases, defining predictive biomarkers for those diseases, and also assessing the efficacious effects of incident drugs. In this study, proton nuclear magnetic resonance (NMR)-based metabonomics was employed to identify the metabolic changes in rat plasma caused by myocardial ischemia-reperfusion injury (MIRI), and to compare the metabolic regulatory differences between traditional Chinese medicine Wenxin Keli (WXKL) and Western medicine verapamil...
August 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28821744/exploring-the-sequence-based-prediction-of-folding-initiation-sites-in-proteins
#13
Daniele Raimondi, Gabriele Orlando, Rita Pancsa, Taushif Khan, Wim F Vranken
Protein folding is a complex process that can lead to disease when it fails. Especially poorly understood are the very early stages of protein folding, which are likely defined by intrinsic local interactions between amino acids close to each other in the protein sequence. We here present EFoldMine, a method that predicts, from the primary amino acid sequence of a protein, which amino acids are likely involved in early folding events. The method is based on early folding data from hydrogen deuterium exchange (HDX) data from NMR pulsed labelling experiments, and uses backbone and sidechain dynamics as well as secondary structure propensities as features...
August 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28821449/daphnauranins-a-and-b-two-new-antifeedants-isolated-from-daphne-aurantiaca-roots
#14
Sheng-Zhuo Huang, Qing-Yun Ma, Fan-Dong Kong, Zhi-Kai Guo, Qi Wang, Hao-Fu Dai, Yu-Qing Liu, Jun Zhou, You-Xing Zhao
Daphnauranins A (1) and B (2), two sesquiterpenoids were isolated from the roots of Daphne aurantiaca Diels. One is an unprecedented 5/7 oxacycloheptane ring system, the other is a sesquiterpene-lignan complex. Their structures were elucidated by comprehensive spectroscopic methods including MS and NMR. Their absolute configurations were further confirmed by the quantum ECD calculations. Daphnauranins A and B showed anti-insect activities against male fruit fly with anti-feeding rate up to 46.2±7.1 and 44...
August 15, 2017: Fitoterapia
https://www.readbyqxmd.com/read/28821144/extraction-purification-and-structural-characterization-of-a-galactoglucomannan-from-the-gabiroba-fruit-campomanesia-xanthocarpa-berg-myrtaceae-family
#15
Shayla Fernanda Barbieri, Andrea Caroline Ruthes, Carmen Lúcia de Oliveira Petkowicz, Rossana Catie Bueno de Godoy, Guilherme Lanzi Sassaki, Arquimedes Paixão Santana Filho, Joana Léa Meira Silveira
In this study, we isolated and structurally characterized, for the first time, a galactoglucomannan (GGM) from the pulp of gabiroba, a Myrtaceae family species. The HPSEC-MALLS-RI analysis showed a homogeneous polysaccharide with molar mass of 25,340gmol(-1). The monosaccharide composition showed that the GGM consisted of Man:Glc:Gal in a molar ratio of 1:1:0.6. Methylation and 1D and 2D NMR analyses suggested that the main chain of the GGM consisted of β-d-Glcp and β-d-Manp units (1→4)-linked. The α-d-Galp substitutions occur mainly at O-6 position of β-d-Manp units...
October 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28821143/nmr-spectroscopic-structural-characterization-of-a-water-soluble-%C3%AE-1%C3%A2-3-1%C3%A2-6-glucan-from-aureobasidium-pullulans
#16
Hiroyuki Kono, Nobuhiro Kondo, Katsuki Hirabayashi, Makoto Ogata, Kazuhide Totani, Shinya Ikematsu, Mitsumasa Osada
An unambiguous structural characterization of the water-soluble Aureobasidium pullulans β-(1→3, 1→6)-glucan is yet to be achieved, although this β-(1→3, 1→6)-glucan is expected to exhibit excellent biofunctional properties. Thus, we herein report the elucidation of the primary structure of the A. pullulans β-(1→3, 1→6)-glucan using nuclear magnetic resonance spectroscopy, followed by comparison of the obtained structure with that of schizophyllan (SPG). Structural characterization of the A. pullulans β-(1→3, 1→6)-glucan revealed that the structural units are a β-(1→3)-d-glucan backbone with four β-(1→6)-d-glucosyl side branching units every six residues...
October 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28821137/preparation-of-highly-oxidized-starch-using-hydrogen-peroxide-and-its-application-as-a-novel-ligand-for-zirconium-tanning-of-leather
#17
Yue Yu, Ya-Nan Wang, Wei Ding, Jianfei Zhou, Bi Shi
A series of highly-oxidized starch (HOS) were prepared using H2O2 and a copper-iron catalyst as a desired ligand for zirconium tanning of leather. The effects of catalyst and H2O2 dosages, and reaction temperature on the oxidation degree (OD, represented as the amount of carbonyl and carboxyl groups derived) of starch were investigated. The OD reached 76.2% when oxidation was conducted using 60% H2O2 and 0.015% catalyst at 98°C for 2h. (13)C NMR and FT-IR illustrated carbonyl and carboxyl groups were formed in HOS after oxidation...
October 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28821133/single-helix-in-v-type-starch-carrier-determines-the-encapsulation-capacity-of-ethylene
#18
Linfan Shi, Xiong Fu, Qiang Huang, Bin Zhang
V-type starch carriers with different single helix contents were prepared using alcoholic-alkaline treatment followed by ethanol precipitation. Ethylene gas was entrapped into V-type starch carriers using a solid encapsulation method. The morphological and structural properties of inclusion complexes (ICs) were characterized using scanning electron and light microscopy, X-ray diffractometry, (13)C solid-state nuclear magnetic resonance (NMR) and Raman spectroscopy. Aqueous ethanol treatment resulted in swelling and aggregation of starch granules, and B-type diffraction reflections were either reduced or completely lost with evolution of V-type pattern...
October 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28821132/the-effect-of-%C3%AE-cyclodextrin-on-poly-pseudo-rotaxane-nanoparticles-self-assembled-by-protoporphyrin-modified-poly-ethylene-glycol-for-anticancer-drug-delivery
#19
Taotao Xu, Junhua Li, Jun Cao, Wenxia Gao, Li Li, Bin He
Poly(pseudo)rotaxane (PPR) nanoparticles was facilely prepared using poly(ethylene glycol) (PEG) modified with protoporphyrin (PpIX) and α-cyclodextrin (α-CD) via host-guest interaction, the effect of α-CD number on the nanoparticle properties was investigated. The PEG with protoporphyrin (PEG-PpIX) end capping was synthesized via coupling reaction and the poly(pseudo)rotaxane nanoparticles with different amount of α-CD were fabricated by host-guest interaction between mPEG-PpIX and α-CDs. The final product was characterized by nuclear magnetic spectrum ((1)H NMR), X-ray diffraction (XRD), atomic force microscope (AFM) and dynamic light scattering (DLS)...
October 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28821129/characterization-and-anticoagulant-activity-of-a-fucosylated-chondroitin-sulfate-with-unusually-procoagulant-effect-from-sea-cucumber
#20
Mohamed Ben Mansour, Rafik Balti, Véronique Ollivier, Hichem Ben Jannet, Frédéric Chaubet, Raoui Mounir Maaroufi
The fucosylated chondroitin sulfate (FuCS) was isolated from the sea cucumber Holothuria polii body wall and then purified by anion exchange chromatography and the structure was characterized by FT-IR and NMR spectroscopy. Anticoagulant activity was measured in plasma by classical anticoagulation tests and the thrombin generation was assessed by calibrated automated thrombography. The results showed that the FuCS obtained at a yield of 4.66% possesses high sulfate content 43% and an average molecular mass of 45...
October 15, 2017: Carbohydrate Polymers
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