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Marion Pupier, Jean-Marc Nuzillard, Julien Wist, Nils E Schlörer, Stefan Kuhn, Mate Erdelyi, Christoph Steinbeck, Antony J Williams, Craig Butts, Tim D W Claridge, Bozhana Mikhova, Wolfgang Robien, Hesam Dashti, Hamid R Eghbalnia, Christophe Farès, Christian Adam, Kessler Pavel, Fabrice Moriaud, Mikhail Elyashberg, Dimitris Argyropoulos, Manuel Pérez, Patrick Giraudeau, Roberto R Gil, Paul Trevorrow, Damien Jeannerat
Even though NMR has found countless applications in the field of small molecule characterization, there is no standard file format available for the NMR data relevant to structure characterization of small molecules. A new format is therefore introduced to associate the NMR parameters extracted from 1D and 2D spectra of organic compounds to the proposed chemical structure. These NMR parameters, which we shall call NMReDATA (for nuclear magnetic resonance extracted data), include chemical shift values, signal integrals, intensities, multiplicities, scalar coupling constants, lists of 2D correlations, relaxation times and diffusion rates...
April 14, 2018: Magnetic Resonance in Chemistry: MRC
Zhi Fang, Xingxing Jiang, Meihong Duan, Zhanyu Hou, Changcheng Tang, Mingjun Xia, Lijuan Liu, Zheshuai Lin, Feidi Fan, Lei Bai, Chuangtian Chen
For the explorations on deep ultraviolet (DUV) nonlinear optical (NLO) borates, a type of important optoelectronic materials, (BO3)3- group is long-termly regarded as the sole microscopic optical-active unit and the toxic Be-containing raw materials are frequently-adopted. Herein, a new DUV NLO crystal Cs2Al2(B3O6)2O (CABO) was designed and synthesized by simultaneously replacing the (BO3)3- groups and Be2+ cations in Sr2Be2(BO3)2O that possesses a favorable structure for large NLO response by (B3O6)3- units and Al3+ cations through cosubstitution approach...
April 15, 2018: Chemistry: a European Journal
Lei Fang, Guoming Li, Ruizeng Gu, Muyi Cai, Jun Lu
BACKGROUND: Shellfish, including oysters, often cause allergic reactions in adults. Thermal treatment is one of the most common technologies to deal with seafood, which may affect biological properties. The aim of this work was to evaluate the impact of heating on conformation and potential allergenicity of oyster-derived tropomyosin (Cra g 1). RESULTS: SDS-PAGE showed that there was an apparent band at 35KD of raw tropomyosin after purification and more significant polymers appeared in heated protein...
April 15, 2018: Journal of the Science of Food and Agriculture
Yao Lu, Deliang He, Huibin Lei, Jun Hu, Houqiang Huang, Huiying Ren
Taro stalks (TS) were modified by diethylenetriamine (DETA) to obtain the modified taro stalks adsorbents (recorded as MTSA). This kind of raw material is unprecedented and the method of modification is relatively simple. The physicochemical properties of MTSA were characterized by scanning electron microscope (SEM), FTIR, and zeta potential analyzer. The capacity of MTSA for adsorbing heavy metals under different influencing factors was tested by UV-visible spectrophotometer. The results indicated that the gaps between the microspheres of MTSA are more, which are conducive to adsorption...
April 14, 2018: Environmental Science and Pollution Research International
Baiwen Ma, Wenjiang Li, Ruiping Liu, Gang Liu, Jingqiu Sun, Huijuan Liu, Jiuhui Qu, Walter van der Meer
The integration of adsorbents with ultrafiltration (UF) membranes is a promising method for alleviating membrane fouling and reducing land use. However, adsorbents typically are only injected into the membrane tank once, resulting in a single dynamic protection layer and low removal efficiency over long-term operation. In addition, the granular adsorbents used can cause membrane surface damage. To overcome these disadvantages, we injected inexpensive and loose aluminum (Al)-based flocs directly into a membrane tank with bottom aeration in the presence of humic acid (HA) or raw water taken from the Miyun Reservoir (Beijing, China)...
April 5, 2018: Water Research
Yi Min, Chengjun Liu, Peiyang Shi, Chongda Qin, Yutao Feng, Baichen Liu
Raw materials were co-sintered with municipal solid waste incineration (MSWI) fly ash through iron ore sintering to promote the safe treatment and utilization of MSWI fly ash. To assess the feasibility of this co-sintering method, in this study, the effects of the addition of MSWI fly ash on the formation and emission of polychlorinated dibenzo-p-dioxins and furans (PCDD/Fs) were estimated via iron ore sintering pot experiments. During co-sintering, most of the PCDD/Fs in the added MSWI fly ash were decomposed and transformed into PCDD/Fs associated with iron sintering, and the concentrations of lower- and mid-chlorinated congeners increased...
April 11, 2018: Waste Management
Chih-Hung Lee, Chia-Ching Wu, Yu-Chang Tyan, Wei-Tai Yu, Edward S Huang, Hsu-Sheng Yu
Food allergy is one of the most important health issues worldwide. In Taiwan, current literature suggests shrimps and crabs are the most common causes of food allergy, and are frequently associated with acute allergic reactions such as urticaria, atopic dermatitis, and asthma. However, knowledge regarding the shrimp allergens remains limited. Thus, there is an urgent need to establish comprehensive information for elucidating underlying triggers for food allergy. In this study, whiteleg shrimp (Litopenaeus vannamei) was used to evaluate the IgE-binding properties of various shrimp proteins to 7 allergic patients' sera by western blot...
August 30, 2018: Food Chemistry
Huiying Zhang, Dandan Pu, Baoguo Sun, Fazheng Ren, Yuyu Zhang, Haitao Chen
A study was carried out to determine and compare the key aroma compounds in raw and dry porcini mushroom (Boletus edulis). The volatile fractions were prepared by solvent-assisted flavor evaporation (SAFE), and aroma extract dilution analysis (AEDA) combined with gas chromatography-mass spectrometry (GC-MS) was employed to identify the odorants. Selected aroma compounds were quantitated and odor activity values (OAVs) were calculated revealing OAVs ≥ 1 for 12 compounds in raw porcini, among which 1-octen-3-one showed the highest OAV...
August 30, 2018: Food Chemistry
Miao-Miao Zhou, Wen-Yan Zhang, Rui-Jun Li, Chao Guo, Shan-Shan Wei, Xiao-Meng Tian, Jun Luo, Ling-Yi Kong
BACKGROUND: Immunocytes-involved inflammation is considered to modulate the damage in various diseases. Herein, novel therapeutics suppressing over-activation of immunocytes could prove an effective strategy to prevent inflammation-related diseases. PURPOSE: The objective of this study is to evaluate the anti-inflammatory activity of Khayandirobilide A (KLA), a new andirobin-type limonoid with modified furan ring isolated from the Khaya senegalensis (Desr.) A. Juss...
March 15, 2018: Phytomedicine: International Journal of Phytotherapy and Phytopharmacology
Ahmed H El-Desoky, Rehab F Abdel-Rahman, Osama K Ahmed, Hossam S El-Beltagi, Masao Hattori
BACKGROUND: Carissa carandas L. is known in folk medicine for its anti-inflammatory and hepatoprotective activities. Meanwhile it is an evergreen shrub that constitutes a continuous source of leaves throughout the year. HYPOTHESIS/PURPOSE: The leaves of Carissa carandas L. may be rich in compounds that can be used as safe anti-inflammatory and antioxidant remedies. The combined antioxidant and anti-inflammatory activities provoked the study of the hepatoprotective effects...
March 15, 2018: Phytomedicine: International Journal of Phytotherapy and Phytopharmacology
Hangzhou Xu, Haiyan Pei, Yan Jin, Chunxia Ma, Yuting Wang, Jiongming Sun, Hongmin Li
The microbial community structures of drinking water treatment sludge (DWTS) generated for raw water (RW) from different locations and with different source types - including river water, lake water and reservoir water -were investigated using high-throughput sequencing. Because the unit operations in the six DWTPs were similar, community composition in fresh sludge may be determined by microbial community in the corresponding RW. Although Proteobacteria, Cyanobacteria, Bacteroidetes, Firmicutes, Verrucomicrobia, and Planctomycetes were the dominant phyla among the six DWTS samples, no single phylum exhibited similar abundance across all the samples, owing to differences in total phosphorus, chemical oxygen demand, Al, Fe, and chloride in RW...
April 10, 2018: Science of the Total Environment
Pei-Ying Liu, Zhao-Hua Miao, Kai Li, Huanjie Yang, Liang Zhen, Cheng-Yan Xu
Near-infrared (NIR) light absorbing nanomaterials, which can convert light to heat energy, have great prospects in biomedical applications. In the current work, Fe3+ -TA (Tannic Acid) coordination complex formed by simple mixing of tannic acid and FeCl3 solutions was explored as a novel photothermal agent. Due to the strong absorbance in the near-infrared region induced by the coordination effect between TA molecule and Fe3+ ion, the as-prepared Fe3+ -TA complex exhibited excellent photothermal performance with high photothermal conversion efficiency of 77...
March 22, 2018: Colloids and Surfaces. B, Biointerfaces
Libo Zhang, Wenxiu Zheng, Ziming Wang, Yubo Ma, Ling Jiang, Tianfu Wang
The aim of this work was to study the degradation of lignin in raw wood via pretreatment with heteropoly acids as substitutes for traditional H2 SO4 in γ-valerolactone/water. By optimizing catalyst concentration, reaction time and temperature, the optimal lignin degradation conditions are obtained (130 °C, 3 h and 20 mM silicotungstic acid). SEM and FTIR measurements demonstrated the efficient lignin degradation ability of HPAs in the GVL/H2 O solvent, with negligible damage to cellulose within the raw wood...
April 5, 2018: Bioresource Technology
Irina Higgins, Simon Stringer, Jan Schnupp
It is well known that auditory nerve (AN) fibers overcome bandwidth limitations through the volley principle, a form of multiplexing. What is less well known is that the volley principle introduces a degree of unpredictability into AN neural firing patterns that may be affecting even simple stimulus categorization learning. We use a physiologically grounded, unsupervised spiking neural network model of the auditory brain with spike time dependent plasticity learning to demonstrate that plastic auditory cortex is unable to learn even simple auditory object categories when exposed to the raw AN firing input without subcortical preprocessing...
April 13, 2018: Neural Computation
N K Dzhabarova, N G Sidorina, I N Smirnova, A A Kokhanenko, N G Klopotova
BACKGROUND: the creation of the efficient system of the spa and health resort-based health care for the population of the entire territory of the Russian Federation requires the systematic evaluation and protection of the natural resources of country as a basis for the further development of the health resort and recreation facilities in different regions. AIM: The objective of the present study was to estimate the possibilities of expansion of the health resort and recreational activities based on the rational exploitation of the natural resources of the medical-recreational and balneotherapeutic areas of the Krasnoyarsk Territory...
April 9, 2018: Voprosy Kurortologii, Fizioterapii, i Lechebnoĭ Fizicheskoĭ Kultury
Caoimhe M Harrington Stack, Ariel N James, Duane G Watson
Language comprehension requires successfully navigating linguistic variability. One hypothesis for how listeners manage variability is that they rapidly update their expectations of likely linguistic events in new contexts. This process, called adaptation, allows listeners to better predict the upcoming linguistic input. In previous work, Fine, Jaeger, Farmer, and Qian (PLoS ONE, 8, e77661, 2013) found evidence for syntactic adaptation. Subjects repeatedly encountered sentences in which a verb was temporarily ambiguous between main verb (MV) and reduced relative clause (RC) interpretations...
April 12, 2018: Memory & Cognition
Oleg V'yunov, Anatolii Belous, Sofiia Kobylianska, Leonid Kovalenko
The effect of starting reagents (PbI2:{CH3 NH3 I + CH3 NH3 Cl}) with different ratios in raw solutions on the microstructure of films of organic-inorganic perovskites CH3 NH3 PbI3-x Clx , as well as on the electrical properties, has been investigated. It was found that the crystallinity is increased sharply when the ratio of the starting reagents increases from 1:1 to 1:2 and is changed slightly with a further increase of ratio to 1:3. It is shown that when the ratio of starting reagents varies, the morphology of the films changes; at a ratio of 1:1, the films consist of needle-like particles, and when the ratio is increased, particles become roundish and then faceted...
April 12, 2018: Nanoscale Research Letters
Qingqing Zhang, Mengqi Huo, Yanling Zhang, Yanjiang Qiao, Xiaoyan Gao
High-resolution mass spectrometry (HRMS) provides a powerful tool for the rapid analysis and identification of compounds in herbs. However, the diversity and large differences in the content of the chemical constituents in herbal medicines, especially isomerisms, are a great challenge for mass spectrometry-based structural identification. In the current study, a new strategy for the structural characterization of potential new phthalide compounds was proposed by isomer structure predictions combined with a quantitative structure-retention relationship (QSRR) analysis using phthalide compounds in Chuanxiong as an example...
March 28, 2018: Journal of Chromatography. A
Lynne M Boddy, Robert J Noonan, Youngwon Kim, Alex V Rowlands, Greg J Welk, Zoe R Knowles, Stuart J Fairclough
OBJECTIVES: To examine the comparability of children's free-living sedentary time (ST) derived from raw acceleration thresholds for wrist mounted GENEActiv accelerometer data, with ST estimated using the waist mounted ActiGraph 100count·min-1 threshold. DESIGN: Secondary data analysis. METHOD: 108 10-11-year-old children (n=43 boys) from Liverpool, UK wore one ActiGraph GT3X+ and one GENEActiv accelerometer on their right hip and left wrist, respectively for seven days...
March 28, 2018: Journal of Science and Medicine in Sport
Christian Visscher, Anne Kruse, Saara Sander, Christoph Keller, Jasmin Mischok, Robert Tabeling, Hubert Henne, Ricarda Deitmer, Josef Kamphues
BACKGROUND: Lawsonia intracellularis is one of the most economically important pathogens in swine production. This study tested the hypothesis that the composition of diets for pigs has an impact on the excretion of L. intracellularis in a natural infection model. RESULTS: Fifty boars (~ 90 kg BW) from a SPF-farm with a strict hygiene and management regime for reducing the spread of an L. intracellularis infection up to the beginning of the final fattening period were transported, regrouped and randomly allotted to groups of five animals each at the research facility...
April 12, 2018: Acta Veterinaria Scandinavica
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