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https://www.readbyqxmd.com/read/28905427/anion-induced-conformational-preference-of-c-%C3%AE-nn-motif-residues-in-functional-proteins
#1
Piya Patra, Mahua Ghosh, Raja Banerjee, Jaydeb Chakrabarti
Among different ligand binding motifs, anion binding C(α) NN motif consisting of peptide backbone atoms of three consecutive residues are observed to be important for recognition of free anions, like sulphate or bi-phosphate and participate in different key functions. Here we study the interaction of sulphate and bi-phosphate with C(α) NN motif present in different proteins. Instead of total protein, a peptide fragment has been studied keeping C(α) NN motif flanked in between other residues. We use classical force field based Molecular Dynamics Simulations to understand the stability of this motif...
September 14, 2017: Proteins
https://www.readbyqxmd.com/read/28888681/nano-reversed-phase-versus-nano-hydrophilic-interaction-liquid-chromatography-on-a-chip-in-the-analysis-of-hemopexin-glycopeptides
#2
Petr Kozlik, Miloslav Sanda, Radoslav Goldman
Analysis of the glycosylation of proteins is a challenge that requires orthogonal methods to achieve separation of the diverse glycoforms. A combination of reversed phase chromatography with tandem mass spectrometry (RP-LC-MS/MS) is one of the most powerful tools for glycopeptide analysis. In this work, we developed and compared RP-LC and hydrophilic interaction liquid chromatography (HILIC) in nanoscale on a chip combined with MS/MS in order to separate glycoforms of two peptides obtained from the tryptic digest of hemopexin...
August 26, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28874049/understanding-the-capsanthin-tails-in-regulating-the-hydrophilic-lipophilic-balance-of-carbon-dots-for-rapid-crossing-cell-membrane
#3
Jing Chen, Xiang Zhang, Ye Zhang, Wei Wang, Shuya Li, Yucai Wang, Mengyue Hu, Li Liu, Hong Bi
Here we use natural Chinese paprika to prepare a new kind of amphiphilic carbon dots (A-Dots) that exhibit bright, multicolored fluorescence and contain hydrophilic groups as well as lipophilic capsanthin tails on the surface. It is found that the capsanthin tails in a phospholipid-like structure can promote cell internalization of the A-Dots via crossing cell membranes rapidly in an energy-independent fashion. Compared with highly hydrophilic carbon dots (H-Dots), a control sample prepared from microwave thermolysis of citric acid and ethylenediamine, our synthesized A-Dots can be uptaken by CHO, HeLa and HFF cells more easily...
September 5, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28855617/colossal-permittivity-behavior-and-its-origin-in-rutile-mg1-3ta2-3-xti1-xo2
#4
Wen Dong, Dehong Chen, Wanbiao Hu, Terry J Frankcombe, Hua Chen, Chao Zhou, Zhenxiao Fu, Xiaoyong Wei, Zhuo Xu, Zhifu Liu, Yongxiang Li, Yun Liu
This work investigates the synthesis, chemical composition, defect structures and associated dielectric properties of (Mg(2+), Ta(5+)) co-doped rutile TiO2 polycrystalline ceramics with nominal compositions of (Mg(2+)1/3Ta(5+)2/3) x Ti1-x O2. Colossal permittivity (>7000) with a low dielectric loss (e.g. 0.002 at 1 kHz) across a broad frequency/temperature range can be achieved at x = 0.5% after careful optimization of process conditions. Both experimental and theoretical evidence indicates such a colossal permittivity and low dielectric loss intrinsically originate from the intragrain polarization that links to the electron-pinned [Formula: see text] defect clusters with a specific configuration, different from the defect cluster form previously reported in tri-/pent-valent ion co-doped rutile TiO2...
August 30, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28853679/massilia-phosphatilytica-sp-nov-a-phosphate-solubilizing-bacteria-isolated-from-a-long-term-fertilized-soil
#5
Bang-Xiao Zheng, Qing-Fang Bi, Xiu-Li Hao, Guo-Wei Zhou, Xiao-Ru Yang
A Gram-stain-negative and rod-shaped bacterial strain, 12-OD1T, with rock phosphate solubilizing ability was isolated from agricultural soil in Hailun, Heilongjiang, PR China. The isolate was affiliated to the genus Massilia, based on 16S rRNA gene sequence alignments, having the highest similarities with Massilia putida6 NM-7T (98.67 %), Massilia kyonggiensis TSA1T (98.28 %), and Massilia norwichensis NS9T (98.07 %), respectively. The DNA G+C content was 67.72 mol% and DNA-DNA hybridization showed low relatedness values (less than 47 %) between strain 12-OD1T and other phylogenetically related species of the genus Massilia...
August 2017: International Journal of Systematic and Evolutionary Microbiology
https://www.readbyqxmd.com/read/28844299/glycoform-analysis-of-alpha1-acid-glycoprotein-based-on-capillary-electrophoresis-and-electrophoretic-injection
#6
Chenhua Zhang, Cong Bi, William Clarke, David S Hage
A method based on capillary electrophoresis (CE) with electrophoretic injection and absorbance detection was developed for the direct analysis of AGP glycoforms in human serum. Electrophoretic injection of AGP was performed in the reversed-polarity mode of CE with a capillary coated with poly(ethylene oxide) and that had minimal electroosmotic flow. This situation created an essentially stationary interface between the sample and running buffer during injection and sample stacking. This approach allowed an 11,000-fold increase in sample loading for a 5min injection versus hydrodynamic injection and without introducing any significant levels of extra band-broadening...
August 15, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28828732/coding-of-class-i-and-ii-aminoacyl-trna-synthetases
#7
Charles W Carter
The aminoacyl-tRNA synthetases and their cognate transfer RNAs translate the universal genetic code. The twenty canonical amino acids are sufficiently diverse to create a selective advantage for dividing amino acid activation between two distinct, apparently unrelated superfamilies of synthetases, Class I amino acids being generally larger and less polar, Class II amino acids smaller and more polar. Biochemical, bioinformatic, and protein engineering experiments support the hypothesis that the two Classes descended from opposite strands of the same ancestral gene...
August 22, 2017: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/28816097/meltblown-polymer-fabrics-as-candidate-scaffolds-for-rotator-cuff-tendon-tissue-engineering
#8
Thomas Jenkins, Sean Meehan, Behnam Pourdeyhimi, Dianne Little
Various biomaterial technologies are promising for tissue engineering, including electrospinning, but commercial scale-up of throughput is difficult. The goal of the study was to evaluate meltblown fabrics as candidate scaffolds for rotator cuff tendon tissue engineering. Meltblown poly(lactic acid) fabrics were produced with several polymer crystallinities and airflow velocities (500(low), 900(medium) or 1400(high) m<sup>3</sup>air/hour/m fabric). Fiber diameter, alignment, and baseline bi-directional tensile mechanical properties were evaluated...
August 17, 2017: Tissue Engineering. Part A
https://www.readbyqxmd.com/read/28802992/effects-of-humic-acid-and-heavy-metals-on-the-sorption-of-polar-and-apolar-organic-pollutants-onto-biochars
#9
Fei Wang, Hongwen Sun, Xinhao Ren, Yarui Liu, Hongkai Zhu, Peng Zhang, Chao Ren
The effects of humic acid (HA) and heavy metals (Cu(2+) and Ag(+)) on the sorption of polar and apolar organic pollutants onto biochars that were produced at temperatures of 200 °C (BC200) and 700 °C (BC700) were studied. Due to the plentiful polar functional groups on BC200, cationic propranolol exhibited higher levels of sorption than naphthalene on BC200 while naphthalene and propranolol showed similar sorption capacities on BC700. HA changed the characteristics of biochars and generally inhibited the sorption of target organic pollutants on biochars; however, enhancement occurred in some cases depending on the pollutants involved and their concentrations, biochars used and the addition sequences and concentrations of HA...
August 10, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28799134/roles-of-polar-groups-and-aromatic-structures-of-biochar-in-1-methyl-3-octylimidazolium-chloride-ionic-liquid-adsorption-ph-effect-and-thermodynamics-study
#10
Qiuci Miao, Erping Bi, Binghua Li
Adsorption mechanisms of 1-methyl-3-octylimidazolium chloride ([OMIM]Cl) on rice straw-derived biochars produced at 400, 500, and 700 °C (referred as RB400, RB500, and RB700, respectively) were evaluated. Adsorption affinity followed the order of RB700 > RB400 > RB500. Electrostatic attraction and hydrogen bond controlled adsorption of [OMIM]Cl on RB400, while π-π EDA interaction between [OMIM]Cl and the aromatic rings of biochar dominated adsorption of RB500 and RB700. With increasing solution pH, -COOH and -OH on biochar became deprotonated...
August 10, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28795800/prompt-and-robust-humoral-immunity-elicited-by-a-conjugated-chimeric-malaria-antigen-with-a-truncated-flagellin
#11
Fangxia Guo, Yongdong Liu, Chun Zhang, Qi Wang, Lianyan Wang, Yuhui Gao, Jingxiu Bi, Heng Wang, Zhiguo Su
As one of the pathogen-associated molecular patterns (PAMPs), flagellin is recently utilized as a potent adjuvant for many subunit vaccines. In this study, a truncated flagellin (tFL) with deletion of the hypervariable regions was adopted as a carrier-adjuvant by chemical conjugation with a chimeric malaria antigen M.RCAg-1 (M312) via a heterobifunctional polyethylene glycol (PEG) linker. After booster immunization in mice without any extra adjuvants, the M312-PEG-tFL conjugates elicited M312-specific antibody titers 100-1000 times higher than M312 and 10-100 times higher than the physical mixture of M312 and tFL...
August 22, 2017: Bioconjugate Chemistry
https://www.readbyqxmd.com/read/28791391/a20-protein-regulates-lipopolysaccharide-induced-acute-lung-injury-by-downregulation-of-nf-%C3%AE%C2%BAb-and-macrophage-polarization-in-rats
#12
Ying Wang, Zhenju Song, Jing Bi, Jie Liu, Lin Tong, Yuanlin Song, Chunxue Bai, Xiaodan Zhu
Modulation of inflammation is a crucial component of the development of acute lung injury. A20, a ubiquitin editing enzyme, may regulate cellular inflammatory reactions, particularly those involving the signaling pathway of nuclear factor NF-κB (NF‑κB). The present study investigated the mechanism by which A20 downregulated NF‑κB and further contributed to macrophage polarization from the M1 to M2 phenotypes in lipopolysaccharide (LPS)‑induced lung injury. Sprague‑Dawley rats injected with LPS were used in the present study...
October 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28774055/energy-storage-characteristics-of-bifeo%C3%A2-batio%C3%A2-bi-layers-integrated-on-si
#13
Menglin Liu, Hanfei Zhu, Yunxiang Zhang, Caihong Xue, Jun Ouyang
BiFeO₃/BaTiO₃ bi-layer thick films (~1 μm) were deposited on Pt/Ti/SiO₂/(100) Si substrates with LaNiO₃ buffer layers at 500 °C via a rf magnetron sputtering process. X-ray diffraction (XRD) analysis revealed that both BiFeO₃ and BaTiO₃ layers have a (00l) preferred orientation. The films showed a small remnant polarization (Pr ~ 7.8 μC/cm²) and a large saturated polarization (Ps ~ 65 μC/cm²), resulting in a slim polarization-electric field (P-E) hysteresis loop with improved energy storage characteristics (Wc = 71 J/cm³, η = 61%)...
November 18, 2016: Materials
https://www.readbyqxmd.com/read/28773082/controlling-morphology-and-aggregation-in-semiconducting-polymers-the-role-of-solvents-on-lasing-emission-in-poly-2-methoxy-5-2-ethyl-hexyloxy-1-4-phenylene-vinylene
#14
Minghuan Liu, Yonggang Liu, Zenghui Peng, Chengliang Yang, Quanquan Mu, Zhaoliang Cao, Ji Ma, Li Xuan
Systematic experiments were performed to investigate solvent-dependent morphology and aggregation of the semiconducting polymer film poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene-vinylene] (MEH-PPV), which was span-cast from nonaromatic strong polarity solvents tetrahydrofuran (THF), trichloromethane (TCM) and aromatic weak polarity solvents chlorobenzene (CB), toluene, and p-xylene. The results indicated that the conformation of the spin-cast MEH-PPV films with weak aggregation such as THF and TCM demonstrated excellent lasing emission performances because of inhibiting the fluorescence quenching induced by bi-molecule process...
June 29, 2017: Materials
https://www.readbyqxmd.com/read/28765547/simultaneous-determination-of-hydrophilic-and-lipophilic-constituents-in-herbal-medicines-using-directly-coupled-reversed-phase-and-hydrophilic-interaction-liquid-chromatography-tandem-mass-spectrometry
#15
Wan-Yang Sun, Qin-Wei Lu, Hao Gao, Ling Tong, Dong-Xiang Li, Zheng-Qun Zhou, Zheng-Jin Jiang, Henry Sun, Kai-Shun Bi
Limitations in the separation ability of conventional liquid chromatography system remains a challenge in developing a versatile method for simultaneously determining both hydrophilic and lipophilic constituents in herbal medicines (HMs). To measure compounds covering a broad polarity span in HMs, we developed a directly-coupled reversed-phase and hydrophilic interaction liquid chromatography-tandem mass spectrometry system. Samples were firstly separated according to lipophilicity by using a C18 column. Utilizing a T-piece as connector, the eluent was then pumped into an amide column to get further separation that mainly based on the hydrogen bonding effects...
August 1, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28755479/identifying-exposition-to-low-oxygen-environment-in-human-macrophages-using-secondary-ion-mass-spectrometry-and-multivariate-analysis
#16
Magali Court, Jean-Paul Barnes, Arnaud Millet
RATIONALE: Macrophages are innate immune cells presenting a strong phenotypic plasticity and deeply involved in tissue homeostasis. Oxygen environmental tension is a physical parameter that could influence their polarizations. In this study we use ToF-SIMS to describe how various polarizations are modified by a low oxygen exposure. METHODS: ToF-SIMS experiments were performed using an IONTOF ToF-SIMS 5-100 (ION-TOF GmbH, Munster, Germany). Analysis was performed using a pulsed 25 keV Bi(3+) beam, sputtering was performed using a 250 eV Cs beam...
July 29, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28749664/matildite-contact-with-media-first-principles-study-of-agbis2-surfaces-and-nanoparticle-morphology
#17
Francesc Viñes, Gerasimos Konstantatos, Francesc Illas
Motivated by the interest in AgBiS2 material for solar light harvesting applications, a detailed bulk first principles quantum mechanical of surface properties is presented. Density functional theory based calculations with the Perdew-Burke-Ernzerhof functional have been carried out for different surface orientations and terminations. From the results, two particularly stable facets are predicted to dominate Wulff shaped AgBiS2 nanoparticles. These are the (001) type nonpolar surface and the (111) polar terminations where facets are exposed containing solely Ag or S atoms...
July 27, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28726893/diverse-polarization-bi-stability-in-ferroelectric-tunnel-junctions-due-to-the-effects-of-the-electrode-and-strain-an-ab-initio-study
#18
G L Jiang, W J Chen, Biao Wang, Jian Shao, Yue Zheng
Both electrodes and substrates are factors of great significance for the performance of ferroelectric tunnel junctions (FTJs) in designing functional nanodevices. To provide a comprehensive view on the polarization stability in FTJs due to the effects of an electrode and a substrate misfit strain, in this work we calculated more than 1000 FTJ structures by utilizing an ab initio density functional theory (DFT) method, via changing the symmetry of the FTJ structure (i.e., both asymmetric and symmetric FTJs), electrodes (including Au, Ag, Cu, Pt, Co, Fe, and SrRuO3), barrier thickness (ranging from 2 to 10 unit cells), polarization direction (both positive and negative polarizations) and epitaxial strain (i...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28696350/synthesis-and-study-of-fe-doped-bi%C3%A2-s%C3%A2-semimagnetic-nanocrystals-embedded-in-a-glass-matrix
#19
Ricardo S Silva, Hanna D Mikhail, Eder V Guimarães, Elis R Gonçalves, Nilo F Cano, Noelio O Dantas
Iron-doped bismuth sulphide (Bi2-xFexS₃) nanocrystals have been successfully synthesized in a glass matrix using the fusion method. Transmission electron microscopy images and energy dispersive spectroscopy data clearly show that nanocrystals are formed with an average diameter of 7-9 nm, depending on the thermic treatment time, and contain Fe in their chemical composition. Magnetic force microscopy measurements show magnetic phase contrast patterns, providing further evidence of Fe incorporation in the nanocrystal structure...
July 11, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28692195/homologous-catalysts-based-on-fe-doped-cop-nanoarrays-for-high-performance-full-water-splitting-under-benign-conditions
#20
Min Ma, Guilei Zhu, Fengyu Xie, Fengli Qu, Zhiang Liu, Gu Du, Abdullah M Asiri, Yadong Yao, Xuping Sun
The design and development of earth-abundant electrocatalysts for efficient full water splitting under mild conditions are highly desired, yet remain a challenging task. A homologous Fe-doped Co-based nanoarray incorporating complementary catalysts is shown to effect high-performance and durable water splitting in near-neutral media. Iron-doped cobalt phosphate borate nanoarray on carbon cloth (Fe-Co-Pi-Bi/CC) derived from iron-doped cobalt phosphide on CC (Fe-CoP/CC) through oxidative polarization behaves as a highly active bimetallic electrocatalyst for water oxidation with an overpotential of 382 mV to afford a catalytic current density of 10 mA cm(-2) in 0...
August 24, 2017: ChemSusChem
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