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https://www.readbyqxmd.com/read/29778689/network-analysis-of-a-proposed-exit-pathway-for-protons-to-the-p-side-of-cytochrome-c-oxidase
#1
Xiuhong Cai, Kamran Haider, Jianxun Lu, Slaven Radic, Chang Yun Son, Qiang Cui, M R Gunner
Cytochrome c Oxidase (CcO) reduces O2 , the terminal electron acceptor, to water in the aerobic respiration electron transport chain. The energy released by O2 reductions is stored by removing eight protons from the high pH, N-side, of the membrane with four used for chemistry in the active site and four pumped to the low pH, P-side. The proton transfers must occur along controllable proton pathways that prevent energy dissipating movement towards the N-side. The CcO N-side has well established D- and K-channels to deliver protons to the protein interior...
May 17, 2018: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/29777946/screening-method-for-rapid-classification-of-psychoactive-substances-in-illicit-tablets-using-mid-infrared-spectroscopy-and-pls-da
#2
Leandro S A Pereira, Fernanda L C Lisboa, José Coelho Neto, Frederico N Valladão, Marcelo M Sena
Several new psychoactive substances (NPS) have reached the illegal drug market in recent years, and ecstasy-like tablets are one of the forms affected by this change. Cathinones and tryptamines have increasingly been found in ecstasy-like seized samples as well as other amphetamine type stimulants. A presumptive method for identifying different drugs in seized ecstasy tablets (n=92) using ATR-FTIR (attenuated total reflectance - Fourier transform infrared spectroscopy) and PLS-DA (partial least squares discriminant analysis) was developed...
May 9, 2018: Forensic Science International
https://www.readbyqxmd.com/read/29777147/prediction-of-moisture-content-for-congou-black-tea-withering-leaves-using-image-features-and-nonlinear-method
#3
Gaozhen Liang, Chunwang Dong, Bin Hu, Hongkai Zhu, Haibo Yuan, Yongwen Jiang, Guoshuang Hao
Withering is the first step in the processing of congou black tea. With respect to the deficiency of traditional water content detection methods, a machine vision based NDT (Non Destructive Testing) method was established to detect the moisture content of withered leaves. First, according to the time sequences using computer visual system collected visible light images of tea leaf surfaces, and color and texture characteristics are extracted through the spatial changes of colors. Then quantitative prediction models for moisture content detection of withered tea leaves was established through linear PLS (Partial Least Squares) and non-linear SVM (Support Vector Machine)...
May 18, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29776647/-effect-of-green-alga-ulva-lactuca-polysaccharides-supplementation-on-blood-pressure-and-on-atherogenic-risk-factors-in-rats-fed-a-high-fat-diet
#4
Z I Tair, F Bensalah, F Boukortt
AIM OF THE STUDY: To highlight the benefits of green alga Ulva lactuca polysaccharides supplementation on blood pressure and atherogenic risk factors in rats fed a high fat diet. METHODS: Wistar male rats were fed a high fat diet (30% sheep fat) for 3 months. At an average body weight (BW) of 360g, the rats (n=18) were divided into 3 groups and consumed, for 28 days, either a high fat diet (HFD) or a high fat diet enriched with 1% of whole green algae (WGA) powder or with 1% of its polysaccharides (PLS)...
May 15, 2018: Annales de Cardiologie et D'angéiologie
https://www.readbyqxmd.com/read/29776539/near-infrared-emission-spectroscopy-for-rapid-compositional-analysis-of-portland-cements
#5
Jicarla Portela Rebouças, Jarbas José Rodrigues Rohwedder, Celio Pasquini
Near infrared emission spectroscopy (NIRES) has been investigated to yield a new analytical method for determination of CaO, SiO2 , Al2 O3 , Fe2 O3 , MgO, and SO3 in Portland cement samples. The analyses were accomplished by correlation of the second derivative NIRES spectra with reference elemental analyses made by X-ray Fluorescence (XRF), using Partial Least Square (PLS) regression models. Four different types of cements (type II, III, IV and V) were included in the models. The results show RMSEP from 0...
September 18, 2018: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29776536/rapid-profiling-and-quantification-of-phospholipid-molecular-species-in-human-plasma-based-on-chemical-derivatization-coupled-with-electrospray-ionization-tandem-mass-spectrometry
#6
Fang Wei, Xiang Wang, Hui-Fang Ma, Xin Lv, Xu-Yan Dong, Hong Chen
In this study, we developed a novel strategy using solid-phase extraction (SPE) coupled with shotgun mass spectrometry (MS) based on trimethylsilyldiazomethane (TMSCHN2 ) stable-isotope derivatization for rapid profiling and accurate quantification of phospholipids (PLs) in human plasma. HybridSPE-Phospholipid (HybridSPE-PL, zirconia coated silica stationary phase) was used for sample pretreatment via the Lewis acid-base interaction between zirconia and phosphate moiety of PLs. This step allows rapid enrichment and recovery of PLs from human plasma...
September 18, 2018: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29772504/characterization-and-prediction-of-organic-nitrogen-biodegradability-during-anaerobic-digestion-a-bioaccessibility-approach
#7
Y Bareha, R Girault, J Jimenez, A Trémier
Prediction of organic nitrogen mineralization into ammonium during anaerobic digestion is required for optimizing substitution of mineral fertilizer by digestates. The aim of this study was to understand organic nitrogen biodegradability and to investigate how it can be predicted from carbon biodegradability, and nitrogen bioaccessibility, respectively. Bioaccessibility was assessed using fractionation methods based on sequential extractions. Results showed that organic nitrogen was present in fractions whose bioaccessibility levels differed...
April 26, 2018: Bioresource Technology
https://www.readbyqxmd.com/read/29769007/qsar-and-docking-studies-on-piperidyl-cyclohexylurea-derivatives-for-prediction-of-selective-and-potent-inhibitor-of-matriptase
#8
Agha Zeeshan Mirza, Hina Shamshad
QSAR models as PLS, GFA, and 3D were developed for series of matriptase inhibitors using 35 piperidyl-cyclohexylurea compounds. The training and test sets were divided into a set of 28 and 8 compounds, respectively and the pki values of each compound were used in the analysis. Docking and alignment methodologies were used to develop models in 3D QSAR. The best models among all were selected on the basis of regression statistics as r2, predictive r2 and Friedman Lack of fit measure. Hydrogen donors and rotatable bonds were found to be positively correlated properties for this target...
May 16, 2018: Current Computer-aided Drug Design
https://www.readbyqxmd.com/read/29768481/complexity-in-african-savannas-direct-indirect-and-cascading-effects-of-animal-densities-rainfall-and-vegetation-availability
#9
Tim Leeuwis, Mike Peel, Willem F de Boer
Savanna ecosystems are popular subjects for interaction studies. Multiple studies have been done on the impact of elephants on vegetation, the impact of grass and browse availability on animal densities or on competition between herbivore species. Previous studies showed that elephant densities are frequently negatively correlated with densities of tall trees, and that browse and grass availability are correlated with browser and grazer density respectively. Additionally, a competition effect between browse and grass availability has been reported...
2018: PloS One
https://www.readbyqxmd.com/read/29766820/salient-aspects-of-pbp2a-inhibition-a-qsar-study
#10
Adewale J Ogunleye, Gabriel O Eniafe, Olumide K Inyang, Benjamin Adewumi, Olaposi I Omotuyi
Backgound: Inhibition of penicillin binding protein 2A (PBP2A) represents a sound drug design strategy in combatting Methicillin resistant Staphylococcus aureus (MRSA). Considering the urgent need for effective antimicrobials in combatting MRSA infections, we have developed a statistically robust ensemble of molecular descriptors (1, 2, & 3-D) from compounds targeting PBP2A in vivo. METHODS: 37 (training set: 26, test set: 11) PBP2A-inhibitors were submitted for descriptor generation after which an unsupervised, non-exhaustive genetic algorithm (GA) was deployed for fishing out the best descriptor subset...
May 15, 2018: Current Computer-aided Drug Design
https://www.readbyqxmd.com/read/29766518/pls-ipls-ga-pls-models-for-soluble-solids-content-ph-and-acidity-determination-in-intact-dovyalis-fruit-using-near-infrared-spectroscopy
#11
Mateus Wagner Dantas de Assis, Deborah Oliveira De Fusco, Rosangela Câmara Costa, Kássio Michell Gomes de Lima, Luis Carlos Cunha Júnior, Gustavo Henrique de Almeida Teixeira
BACKGROUND: Dovyalis species Dovyalis abyssinica Warb. and Dovyalis hebecarpa Warb. were introduced in Brazil, but the fruit quality of these species are not appropriate for fresh consumption due to the high titratable acidity (TA) and low soluble solids content (SSC). With the selection of new D. abyssinica clones with lower acidity and the hybridization of these two dovyalis specie (D. abyssinica and D. hebecarpa) the fruit quality improved and the better physical-chemical characteristics make them more suitable for fresh consumption...
May 16, 2018: Journal of the Science of Food and Agriculture
https://www.readbyqxmd.com/read/29766441/metabolomic-analysis-and-biochemical-changes-in-the-urine-and-serum-of-streptozotocin-induced-normal-and-obese-diabetic-rats
#12
Ahmed Mediani, Faridah Abas, M Maulidiani, Azliana Abu Bakar Sajak, Alfi Khatib, Chin Ping Tan, Intan Safinar Ismail, Khozirah Shaari, Amin Ismail, N H Lajis
Diabetes mellitus (DM) is a chronic disease that can affect metabolism of glucose and other metabolites. In this study, the normal- and obese-diabetic rats were compared to understand the diabetes disorders of type 1 and 2 diabetes mellitus. This was done by evaluating their urine metabolites using proton nuclear magnetic resonance (1 H NMR)-based metabolomics and comparing with controls at different time points, considering the induction periods of obesity and diabetes. The biochemical parameters of the serum were also investigated...
May 15, 2018: Journal of Physiology and Biochemistry
https://www.readbyqxmd.com/read/29764522/treatment-resistant-depression-and-peripheral-c-reactive-protein
#13
Samuel R Chamberlain, Jonathan Cavanagh, Peter de Boer, Valeria Mondelli, Declan N C Jones, Wayne C Drevets, Philip J Cowen, Neil A Harrison, Linda Pointon, Carmine M Pariante, Edward T Bullmore
BACKGROUND: C-reactive protein (CRP) is a candidate biomarker for major depressive disorder (MDD), but it is unclear how peripheral CRP levels relate to the heterogeneous clinical phenotypes of the disorder.AimTo explore CRP in MDD and its phenotypic associations. METHOD: We recruited 102 treatment-resistant patients with MDD currently experiencing depression, 48 treatment-responsive patients with MDD not currently experiencing depression, 48 patients with depression who were not receiving medication and 54 healthy volunteers...
May 16, 2018: British Journal of Psychiatry: the Journal of Mental Science
https://www.readbyqxmd.com/read/29763824/use-of-continuous-wavelet-transform-approach-for-simultaneous-quantitative-determination-of-multicomponent-mixture-by-uv-vis-spectrophotometry
#14
Mahmoud Reza Sohrabi, Vahid Mirzabeygi, Mehran Davallo
In the present paper, a multicomponent analysis approach based on spectrophotometry method was developed for simultaneous determination of Guaifenesin (GU), Chlorpheniramine (CHL) and Pseudoephedrine (PSE) without any separation steps. The method under study is signal processing method based on Continuous Wavelet Transform (CWT) coupled with zero cross point technique. In this paper, CWT method was tested by synthetic ternary mixtures and was applied to the commercial cough syrup as a real sample and assessed by applying the standard addition technique...
May 8, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29762762/coulomb-and-ch-%C3%AF-interactions-in-6-4-photolyase-dna-complex-dominate-dna-binding-and-repair-abilities
#15
Yuma Terai, Ryuma Sato, Takahiro Yumiba, Ryuhei Harada, Kohei Shimizu, Tatsuya Toga, Tomoko Ishikawa-Fujiwara, Takeshi Todo, Shigenori Iwai, Yasuteru Shigeta, Junpei Yamamoto
(6-4) Photolyases ((6-4)PLs) are flavoenzymes that repair the carcinogenic UV-induced DNA damage, pyrimidine(6-4)pyrimidone photoproducts ((6-4)PPs), in a light-dependent manner. Although the reaction mechanism of DNA photorepair by (6-4)PLs has been intensively investigated, the molecular mechanism of the lesion recognition remains obscure. We show that a well-conserved arginine residue in Xenopus laevis (6-4)PL (Xl64) participates in DNA binding, through Coulomb and CH-π interactions. Fragment molecular orbital calculations estimated attractive interaction energies of -80-100 kcal mol-1 for the Coulomb interaction and -6 kcal mol-1 for the CH-π interaction, and the loss of either of them significantly reduced the affinity for (6-4)PP-containing oligonucleotides, as well as the quantum yield of DNA photorepair...
May 14, 2018: Nucleic Acids Research
https://www.readbyqxmd.com/read/29762468/multivariate-analysis-as-a-tool-to-identify-concentrations-from-strongly-overlapping-gas-spectra
#16
Yannick Saalberg, Marcus Wolff
We applied a multivariate analysis (MVA) to spectroscopic data of gas mixtures in the mid-IR in order to calculate the concentrations of the single components which exhibit strongly overlapping absorption spectra. This is a common challenge in broadband spectroscopy. Photoacoustic (PA) measurements of different volatile organic compounds (VOCs) in the wavelength region of 3250 nm to 3550 nm served as the exemplary detection technique. Partial least squares regression (PLS) was used to calculate concentrations from the PA spectra...
May 15, 2018: Sensors
https://www.readbyqxmd.com/read/29760824/the-impact-of-orthodontic-bands-on-the-marginal-periodontium-of-maxillary-first-molars-a-retrospective-cross-sectional-radiographic-analysis
#17
Sabine Teubner, Patrick R Schmidlin, Giorgio Menghini, Thomas Attin, Stefan Baumgartner
Aim: Available information on the effect of orthodontic treatment on crestal alveolar bone levels measured in radiographs is contradictory. The aim of this study was to compare the alveolar bone level and periodontal ligament space of banded upper first molars to untreated controls. Materials and Methods: This retrospective cross-sectional radiographic study investigated alveolar bone levels of upper first molars of an orthodontic test group and an untreated control group of comparable age (15-16...
2018: Open Dentistry Journal
https://www.readbyqxmd.com/read/29758151/clinical-effects-of-stabilized-stannous-fluoride-dentifrice-in-reducing-plaque-microbial-virulence-ii-metabonomic-changes
#18
Michael Cannon, Deepa Khambe, Malgorzata Klukowska, David L Ramsey, Melanie Miner, Tom Huggins, Donald J White
OBJECTIVES: The clinical effects of stannous fluoride (SnF2) dentifrice in reducing symptoms of gingivitis and reducing the virulence of subgingival plaque through suppression of activation of gene expression in toll receptor based reporter cells were previously reported. This study expanded analysis of the clinical study to include evaluation of dentifrice effects on salivary metabolites using 1H Nuclear Magnetic Resonance (1H NMR) systems biology-based metabonomics. METHODS: The clinical design was reported previously (J Clin Dent2017;28:16-26)...
March 2018: Journal of Clinical Dentistry
https://www.readbyqxmd.com/read/29755498/rice-premature-leaf-senescence-2-encoding-a-glycosyltransferase-gt-is-involved-in-leaf-senescence
#19
Min Wang, Tao Zhang, Hao Peng, Sheng Luo, Juejie Tan, Kaifeng Jiang, Yueqin Heng, Xin Zhang, Xiuping Guo, Jiakui Zheng, Zhijun Cheng
Premature leaf senescence (PLS), which has a significant impact on yield, is caused by various underlying mechanisms. Glycosyltransferases, which function in glycosyl transfer from activated nucleotides to aglycones, are involved in diverse biological processes, but their roles in rice leaf senescence remain elusive. Here, we isolated and characterized a leaf senescence-related gene from the Premature Leaf Senescent mutant ( pls2 ). The mutant phenotype began with leaf yellowing at tillering and resulted in PLS during the reproductive stage...
2018: Frontiers in Plant Science
https://www.readbyqxmd.com/read/29754800/pcyt1a-regulates-phosphatidylcholine-homeostasis-from-the-inner-nuclear-membrane-in-response-to-membrane-stored-curvature-elastic-stress
#20
Afreen Haider, Yu-Chen Wei, Koini Lim, Antonio D Barbosa, Che-Hsiung Liu, Ursula Weber, Marek Mlodzik, Kadri Oras, Simon Collier, M Mahmood Hussain, Liang Dong, Satish Patel, Anna Alvarez-Guaita, Vladimir Saudek, Benjamin J Jenkins, Albert Koulman, Marcus K Dymond, Roger C Hardie, Symeon Siniossoglou, David B Savage
Cell and organelle membranes consist of a complex mixture of phospholipids (PLs) that determine their size, shape, and function. Phosphatidylcholine (PC) is the most abundant phospholipid in eukaryotic membranes, yet how cells sense and regulate its levels in vivo remains unclear. Here we show that PCYT1A, the rate-limiting enzyme of PC synthesis, is intranuclear and re-locates to the nuclear membrane in response to the need for membrane PL synthesis in yeast, fly, and mammalian cells. By aligning imaging with lipidomic analysis and data-driven modeling, we demonstrate that yeast PCYT1A membrane association correlates with membrane stored curvature elastic stress estimates...
May 7, 2018: Developmental Cell
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