Read by QxMD icon Read


Xuan Shi, Huu Hao Ngo, Langtao Sang, Pengkang Jin, Xiaochang C Wang, Guanghua Wang
In this study, a pilot combined sewer system was constructed to characterize the pollutant transformation in sewer sediment. The results showed that particulate contaminants deposited from sewage could be transformed into dissolved matter by distinct pollutant transformation pathways. Although the oxidation-reduction potential (ORP) was varied from -80 mV to -340 mV in different region of the sediment, the fermentation was the dominant process in all regions of the sediment, which induced hydrolysis and decomposition of particulate contaminants...
March 13, 2018: Environmental Pollution
S Sengottuvel, Pathan Fayaz Khan, N Mariyappa, Rajesh Patel, S Saipriya, K Gireesan
Cutaneous measurements of electrogastrogram (EGG) signals are heavily contaminated by artifacts due to cardiac activity, breathing, motion artifacts, and electrode drifts whose effective elimination remains an open problem. A common methodology is proposed by combining independent component analysis (ICA) and ensemble empirical mode decomposition (EEMD) to denoise gastric slow-wave signals in multichannel EGG data. Sixteen electrodes are fixed over the upper abdomen to measure the EGG signals under three gastric conditions, namely, preprandial, postprandial immediately, and postprandial 2 h after food for three healthy subjects and a subject with a gastric disorder...
March 1, 2018: SLAS Technology
Simon Badger, Christian Brønnum-Hansen, Heribertus Bayu Hartanto, Tiziano Peraro
We compute the leading-color contributions to five-gluon scattering at two loops in massless QCD. The integrands of all independent helicity amplitudes are evaluated using d-dimensional generalized unitarity cuts and finite field reconstruction techniques. Numerical evaluation of the integral basis is performed with sector decomposition methods to obtain the first benchmark results for all helicity configurations of a 2→3 scattering process in QCD.
March 2, 2018: Physical Review Letters
Xiaodi Niu, Yawen Gao, Yiding Yu, Yanan Yang, Guizhen Wang, Lin Sun, Hongsu Wang
Previous studies found that the activity of Sortase A, a bacterial surface protein from Staphylococcus aureus, was inhibited by curcumin and its analogues. To explore this inhibitory mechanism, Sortase A and its inhibitors in complex systems were studied by molecular docking, molecular modelling, binding energy decomposition calculation, and steered molecular dynamics simulations. Energy decomposition analysis indicated that PRO-163, LEU-169, GLN-172, ILE-182, and ILE-199 are key residues in Sortase A-inhibitor complexes...
March 16, 2018: Journal of Biomolecular Structure & Dynamics
Kaimin Lu, Xin Wang, Yuyu Chen, Danfeng Liang, Hao Luo, Li Long, Zongyue Hu, Jinku Bao
Osteosarcoma is the most common primary malignant bone tumor among adolescents worldwide with high mortality rate. Glycogen synthase kinase 3β (GSK3β) is a serine/threonine kinase and is considered as a validated target in osteosarcoma therapy. Therefore, the study of GSK3β inhibitors is one of the most popular fields in anti-osteosarcoma drug development. Here, the tools of bioinformatics were used to screen novel effective inhibitors of GSK3β from ZINC Drug Database. The molecular docking, molecular dynamic simulations, MM/GBSA, and energy decomposition analysis were performed to identify the inhibitors...
March 13, 2018: Acta Biochimica et Biophysica Sinica
Wouter Saelens, Robrecht Cannoodt, Yvan Saeys
A critical step in the analysis of large genome-wide gene expression datasets is the use of module detection methods to group genes into co-expression modules. Because of limitations of classical clustering methods, numerous alternative module detection methods have been proposed, which improve upon clustering by handling co-expression in only a subset of samples, modelling the regulatory network, and/or allowing overlap between modules. In this study we use known regulatory networks to do a comprehensive and robust evaluation of these different methods...
March 15, 2018: Nature Communications
Audrius Gegeckas, Aistė Šimkutė, Renata Gudiukaitė, Donaldas Jonas Čitavičius
Solid keratin-rich waste management is one of essential research area in nowadays. Conventional chemical and high thermal keratin waste decomposition methods are fully explored and not enough effective for future biotechnology perspectives. However, traditional keratin-rich waste decomposition methods could be replaced by environmentally-friendly and economical microbial keratin waste biodegradation methods without energy wastage and essential amino acids and nutrition elements loss. In this study BPKer and BAKer keratinolytic peptidases from Bacillus sp...
March 12, 2018: International Journal of Biological Macromolecules
Amit Acharyya, Pranit N Jadhav, Valentina Bono, Koushik Maharatna, Ganesh R Naik
BACKGROUND AND OBJECTIVE: EEG is a non-invasive tool for neuro-developmental disorder diagnosis and treatment. However, EEG signal is mixed with other biological signals including Ocular and Muscular artifacts making it difficult to extract the diagnostic features. Therefore, the contaminated EEG channels are often discarded by the medical practitioners which may result in less accurate diagnosis. Many existing methods require reference electrodes, which will create discomfort to the patient/children and cause hindrance to the diagnosis of the neuro-developmental disorder and Brain Computer Interface in the pervasive environment...
May 2018: Computer Methods and Programs in Biomedicine
Pablo E Videla, Peter J Rossky, D Laria
We present a path-integral-molecular-dynamics study of the thermodynamic stabilities of DOH⋯ X- and HOD⋯ X- (X = F, Cl, Br, I) coordination in aqueous solutions at ambient conditions. In agreement with experimental evidence, our results for the F- case reveal a clear stabilization of the latter motif, whereas, in the rest of the halogen series, the former articulation prevails. The DOH⋯ X- preference becomes more marked the larger the size of the ionic solute. A physical interpretation of these tendencies is provided in terms of an analysis of the global quantum kinetic energies of the light atoms and their geometrical decomposition...
March 14, 2018: Journal of Chemical Physics
Katsuyuki Taguchi, Toshihide Itoh, Matthew K Fuld, Eric Fournie, Okkyun Lee, Kyo Noguchi
OBJECTIVES: A novel imaging technique ("X-map") has been developed to identify acute ischemic lesions for stroke patients using non-contrast-enhanced dual-energy computed tomography (NE-DE-CT). Using the 3-material decomposition technique, the original X-map ("X-map 1.0") eliminates fat and bone from the images, suppresses the gray matter (GM)-white matter (WM) tissue contrast, and makes signals of edema induced by severe ischemia easier to detect. The aim of this study was to address the following 2 problems with the X-map 1...
March 14, 2018: Investigative Radiology
Colin K Egan, Francesco Paesani
The importance of many-body effects in the hydration of the hydroxide ion (OH- is investigated through a systematic analysis of the many-body expansion of the inter- action energy carried out at the CCSD(T) level of theory, extrapolated to the complete basis set limit, for the low-lying isomers of OH- (H2 O)n clusters, with n = 1 - 5. This is ac- complished by partitioning individual fragments extracted from the whole clusters into "groups" that are classified by both the number of OH- and H2 O molecules and the hydrogen bonding connectivity within each fragment...
March 15, 2018: Journal of Chemical Theory and Computation
Nika Mahne, Sara E Renfrew, Bryan D McCloskey, Stefan A Freunberger
Solid alkaline carbonates are universal passivation layer components of intercalation battery materials, common side products in metal-O₂ batteries, and are believed to form and decompose reversibly in metal-O₂/CO₂ cells. In all of these cathode chemistries, Li₂CO₃ decomposes to CO₂ when exposed to potentials >3.8 V vs. Li/Li+. Notably, though, O₂ evolution is not detected, as is expected according to the decomposition reaction 2 Li₂CO₃ → 4 Li+ + 4 e- + 2 CO₂ + O₂. O-moieties were therefore previously considered unaccounted for in unidentified parasitic reactions...
March 15, 2018: Angewandte Chemie
Lu Wang, Weiyu Song, Jianlin Deng, Huiling Zheng, Jian Liu, Zhen Zhao, Manglai Gao, Yuechang Wei
The photocatalytic N2O dissociation on anatase TiO2 is an attractive reaction and the mechanism of the photocalytic process, the role of excited electrons, and the favorable facet for higher activity need a more detailed study at the molecular level. Using DFT + U calculations, we investigate the dissociation process of N2O into N2 with and without photoexcited electrons on anatase TiO2 (001) and (101) facets to unravel such puzzles. The optical absorption properties of TiO2 (001) and (101) facets are compared in combination with electronic analysis...
March 15, 2018: Nanoscale
Alexandre Osmar Ortolan, Ina Oestroem, Giovanni Finoto Caramori, Renato Luis Tame Parreira, Eder Henrique da Silva, F Matthias Bickelhaupt
We have explored and analysed the physical factors through which non-covalent in- teractions in anion sensing based on calixarene-type hosts can be tuned, using dispersion- corrected DFT and Kohn-Sham molecular orbital (KS-MO) theory in conjunction with a canonical energy decomposition analysis (EDA). We find that the host-guest interac- tion can be enhanced through the introduction of strongly electron-withdrawing groups at particular positions of the arene and triazine units in the host molecule as well as by coordination of a metal complex to the arene and triazine rings...
March 15, 2018: Journal of Physical Chemistry. A
Melissa P Woodard, Scott T Akin, Collin J Dibble, Michael A Duncan
Ultra-small chromium oxide nanoclusters produced by laser vaporization in a fast flowtube reactor are ligand-coated by gas phase reactions with acetonitrile vapor and then captured in a cold trap and transferred to solution. The resulting clusters are characterized with mass spectrometry, UV-visible absorption and emission, infrared spectroscopy, and surface-enhanced Raman spectroscopy (SERS). According to mass spectrometry, clusters of the form CrxOy(MeCN)z are produced in the size range of x  10 and y < 25...
March 15, 2018: Journal of Physical Chemistry. A
Chantal Paquet, Thomas Lacelle, Xiangyang Liu, Bhavana Deore, Arnold J Kell, Sylvie Lafrenière, Patrick R L Malenfant
Copper formate complexes with various primary amines, secondary amines and pyridines were prepared, and their decomposition into conductive films was characterized. A comparison of the various complexes reveals that the temperature of thermolysis depends on the number of hydrogen bonds that can be formed between the amine and formate ligands. The particle size resulting from sintering of the copper complexes is shown to depend on the fraction of amine ligand released during the thermolysis reaction. The particle size in turn is shown to govern the electrical properties of the copper films...
March 15, 2018: Nanoscale
Thomas J Wood, Joshua W Makepeace, William I F David
Manganese and its nitrides have recently been shown to co-catalyse the ammonia decomposition reaction. The nitriding reaction of manganese under ammonia decomposition conditions is studied in situ simultaneously by thermogravimetric analysis and neutron diffraction. Combining these complementary measurements has yielded information on the rate of manganese nitriding as well as the elucidation of a gamut of different manganese nitride phases. The neutron diffraction background was shown to be related to the extent of the ammonia decomposition and therefore the gas composition...
March 15, 2018: Physical Chemistry Chemical Physics: PCCP
Yancong Feng, Rui Tan, Yan Zhao, Rongtan Gao, Luyi Yang, Jinlong Yang, Hao Li, Guofu Zhou, Haibiao Chen, Feng Pan
A novel hybrid single Li-ion conductor (SLIC) for a Li-ion solid electrolyte was prepared by mixing aluminate complexes-polyethylene glycol (LiAl-PEG) and polyethylene oxide (PEO) for solid-state Li-ion batteries. The LiAl-PEG/PEO blend possesses high thermal stability and electrochemical stability with an oxidation decomposition voltage up to 4.8 V. Notably, this hybrid SLIC exhibits not only excellent Li-ion migration kinetics, but also good ionic conductivity as high as 4.0 × 10-5 and 2.6 × 10-4 S cm-1 at 30 and 100 °C, respectively, which is much higher than previously reported SLICs...
March 15, 2018: Nanoscale
Nicholas R Andreychuk, Tara Dickie, David J H Emslie, Hilary A Jenkins
Palladium-catalyzed coupling of 1-adamantylamine (2 equiv.) with 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene afforded the proligand 4,5-bis(1-adamantylamino)-2,7-di-tert-butyl-9,9-dimethylxanthene, H2 [XAd] (1), which upon deprotonation with excess KH or KCH2 Ph in THF or dme generated [{K(THF)3 }2 (XAd)] (2a) and [K2 (XAd)(dme)] (2b). Subsequent reaction of in situ generated 2a or 2b with [ThCl4 (dme)2 ] yielded [(XAd)ThCl4 K2 ]·x(dme) (3; x = 0.5-2), which reacted with 2 equiv. of LiCH2 SiMe3 or K[allylTMS ] to afford the bis(hydrocarbyl) complexes [(XAd)Th(CH2 SiMe3 )2 (THF)] (4) and [(XAd)Th(η3 -allylTMS )2 ] {5; allylTMS = 1-(SiMe3 )C3 H4 }...
March 15, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Min Yang, Youcong Chuan, Cunwu Guo, Jingjing Liao, Yanguo Xu, Xinyue Mei, Yixiang Liu, Huichuan Huang, Xiahong He, Shusheng Zhu
Panax notoginseng is a highly valuable medicinal herb, but its culture is strongly hindered by replant failure, mainly due to autotoxicity. Deciphering the response mechanisms of plants to autotoxins is critical for overcoming the observed autotoxicity. Here, we elucidated the response of P. notoginseng to the autotoxic ginsenoside Rg1 via transcriptomic and cellular approaches. Cellular analyses demonstrated that Rg1 inhibited root growth by disrupting the cell membrane and wall. Transcriptomic analyses confirmed that genes related to the cell membrane, cell wall decomposition and reactive oxygen species (ROS) metabolism were up-regulated by Rg1 stress...
2018: Frontiers in Plant Science
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"