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https://www.readbyqxmd.com/read/28933850/an-efficient-strategy-for-the-calculation-of-solvation-free-energies-in-water-and-chloroform-at-the-quantum-mechanical-molecular-mechanical-level
#1
Meiting Wang, Pengfei Li, Xiangyu Jia, Wei Liu, Yihan Shao, Wenxin Hu, Jun Zheng, Bernard R Brooks, Ye Mei
The partitioning of solute molecules between immiscible solvents with significantly different polarities is of great importance. The polarization between the solute and solvent molecules plays an essential role in determining the solubility of the solute, which makes computational studies utilizing molecular mechanics (MM) rather difficult. In contrast, quantum mechanics (QM) can provide more reliable predictions. In this work, the partition coefficients of the side chain analogs of some amino acids between water and chloroform were computed...
September 21, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28933813/facile-and-effective-coloration-of-dye-inert-carbon-fiber-fabrics-with-tunable-colours-and-excellent-laundering-durability
#2
Fengxiang Chen, Huiyu Yang, Ke Li, Bo Deng, Qingsong Li, Xin Liu, Binghai Dong, Xingfang Xiao, Dong Wang, Yong Qin, Shi-Min Wang, Ke-Qin Zhang, Weilin Xu
Carbon fiber is a good candidate in various applications, including military, structural, sports equipment, energy storage, and infrastructure. Coloring of carbon fiber has been a big challenge for decades due to their high degrees of crystallization and insufficient chemical affinity to dyes. Here, multicolored carbon fiber fabrics (CFFs) are fabricated using a feasible, effective atomic layer deposition (ALD) technique. The vibrant and uniform structural colors originate from thin film interference is simply regulated by controlling the thickness of comformal TiO2 coatings on the surface of black carbon fibers (CFs)...
September 21, 2017: ACS Nano
https://www.readbyqxmd.com/read/28933654/commonalities-and-differences-in-plants-deficient-in-autophagy-and-alternative-pathways-of-respiration-on-response-to-extended-darkness
#3
Jessica A S Barros, João Henrique F Cavalcanti, David B Medeiros, Adriano Nunes-Nesi, Tamar Avin-Wittenberg, Alisdair R Fernie, Wagner L Araújo
Autophagy is a highly conserved cellular mechanism in eukaryotes allowing the degradation of cell constituents. It is of crucial significance in both cellular homeostasis and nutrient recycling. During energy limited conditions plant cells can metabolize alternative respiratory substrates, such as amino acids, providing electrons to the mitochondrial metabolism via the tricarboxylic acid (TCA) cycle or electron transfer flavoprotein/ electron transfer flavoprotein ubiquinone oxidoreductase (ETF/ETFQO) system...
September 21, 2017: Plant Signaling & Behavior
https://www.readbyqxmd.com/read/28933367/targeting-metabolic-modulation-and-mitochondrial-dysfunction-in-the-treatment-of-heart-failure
#4
REVIEW
Abbey Steggall, Ify R Mordi, Chim C Lang
Despite significant improvements in morbidity and mortality with current evidence-based pharmaceutical-based treatment of heart failure (HF) over the previous decades, the burden of HF remains high. An alternative approach is currently being developed, which targets myocardial energy efficiency and the dysfunction of the cardiac mitochondria. Emerging evidence suggests that the insufficient availability of ATP to the failing myocardium can be attributed to abnormalities in the myocardial utilisation of its substrates rather than an overall lack of substrate availability...
May 10, 2017: Diseases (Basel)
https://www.readbyqxmd.com/read/28932870/ablation-of-kallikrein-7-klk7-in-adipose-tissue-ameliorates-metabolic-consequences-of-high%C3%A2-fat-diet-induced-obesity-by-counteracting-adipose-tissue-inflammation-in-vivo
#5
Konstanze Zieger, Juliane Weiner, Anne Kunath, Martin Gericke, Kerstin Krause, Matthias Kern, Michael Stumvoll, Nora Klöting, Matthias Blüher, John T Heiker
Vaspin is an adipokine which improves glucose metabolism and insulin sensitivity in obesity. Kallikrein 7 (KLK7) is the first known protease target inhibited by vaspin and a potential target for the treatment of metabolic disorders. Here, we tested the hypothesis that inhibition of KLK7 in adipose tissue may beneficially affect glucose metabolism and adipose tissue function. Therefore, we have inactivated the Klk7 gene in adipose tissue using conditional gene-targeting strategies in mice. Klk7-deficient mice (ATKlk7 (-/-)) exhibited less weight gain, predominant expansion of subcutaneous adipose tissue and improved whole body insulin sensitivity under a high fat diet (HFD)...
September 20, 2017: Cellular and Molecular Life Sciences: CMLS
https://www.readbyqxmd.com/read/28932261/determinants-of-stakeholders-attitudes-towards-biodiesel
#6
Latifah Amin, Hasrizul Hashim, Zurina Mahadi, Maznah Ibrahim, Khaidzir Ismail
BACKGROUND: Concern about the inevitable depletion of global energy resources is rising and many countries are shifting their focus to renewable energy. Biodiesel is one promising energy source that has garnered much public attention in recent years. Many believe that this alternative source of energy will be able to sustain the need for increased energy security while at the same time being friendly to the environment. Public opinion, as well as proactive measures by key players in industry, may play a decisive role in steering the direction of biodiesel development throughout the world...
2017: Biotechnology for Biofuels
https://www.readbyqxmd.com/read/28930471/possible-way-to-study-cononsolvency-in-confinement-lattice-density-functional-theory-approach
#7
Xueqian Chen, Wei Feng, Xia Han, Honglai Liu
The polymer lattice density functional theory (PLDFT) is used to investigate the cononsolvency (CNS) phenomena related to polymer adsorption in a slit pore. Specifically, two simplest types of CNS are examined: CNS1 with solvent-cosolvent binding as the dominate factor and CNS2 with polymer-cosolvent binding as the dominate factor. The simplified models for CNS1/CNS2 well capture the symmetrical/asymmetrical reentrant swelling transition of polymers positively/negatively adsorbed on the solid surface as confirmed by the calculation of PLDFT...
September 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28930435/new-triplet-sensitization-routes-for-photon-upconversion-thermally-activated-delayed-fluorescence-molecules-inorganic-nanocrystals-and-singlet-to-triplet-absorption
#8
Nobuhiro Yanai, Nobuo Kimizuka
Photon upconversion based on triplet-triplet annihilation (TTA-UC) has attracted much interest because of its possible applications to renewable energy production and biological fields. In particular, the UC of near-infrared (NIR) light to visible (vis) light is imperative to overcome the Shockley-Queisser limit of single-junction photovoltaic cells, and the efficiency of photocatalytic hydrogen production from water can also be improved with the aid of vis-to-ultraviolet (UV) UC. However, both processes have met limitations in the wavelength range, efficiency, and sensitivity for weak incident light...
September 20, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28930430/novel-strategies-for-the-production-of-fuels-lubricants-and-chemicals-from-biomass
#9
Sankaranarayanapillai Shylesh, Amit A Gokhale, Christopher R Ho, Alexis T Bell
Growing concern with the environmental impact of CO2 emissions produced by combustion of fuels derived from fossil-based carbon resources has stimulated the search for renewable sources of carbon. Much of this focus has been on the development of methods for producing transportation fuels, the major source of CO2 emissions today, and to a lesser extent on the production of lubricants and chemicals. First-generation biofuels such as bioethanol, produced by the fermentation of sugar cane- or corn-based sugars, and biodiesel, produced by the transesterification reaction of triglycerides with alcohols to form a mixture of long-chain fatty esters, can be blended with traditional fuels in limited amounts and also arise in food versus fuel debates...
September 20, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28929343/a-comparison-of-isomaltulose-versus-maltodextrin-ingestion-during-soccer-specific-exercise
#10
Emma J Stevenson, Anthony Watson, Stephan Theis, Anja Holz, Liam D Harper, Mark Russell
PURPOSE: The performance and physiological effects of isomaltulose and maltodextrin consumed intermittently during prolonged soccer-specific exercise were investigated. METHODS: University soccer players (n = 22) performed 120 min of intermittent exercise while consuming 8% carbohydrate-electrolyte drinks (equivalent to ~ 20 g h(-1)) containing maltodextrin (Glycaemic Index: 90-100), isomaltulose (Glycaemic Index: 32) or a carbohydrate-energy-free placebo in a manner replicating the practices of soccer players (i...
September 19, 2017: European Journal of Applied Physiology
https://www.readbyqxmd.com/read/28929150/developing-an-efficient-nico2s4-cocatalyst-for-improving-the-visible-light-h2-evolution-performance-of-cds-nanoparticles
#11
Junwen Peng, Junli Xu, Zhaoyu Wang, Zhengxin Ding, Sibo Wang
Developing efficient alternatives to the widely used Pt cocatalyst in photocatalytic H2O splitting is of great importance in view of large-scale production of clear H2 energy. Herein, we report the facile synthesis of NiCo2S4 and its first use as a highly active and cost-affordable cocatalyst to boost visible light H2 generation with the CdS semiconductor. The synthesized NiCo2S4/CdS composite materials are fully characterized by various techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray (EDX) spectroscopy, X-ray photoelectron spectroscopy (XPS), UV-Vis diffusion reflectance spectroscopy (DRS), and N2 adsorption measurements...
September 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28928661/ginkgo-biloba-extract-gbe-stimulates-the-hypothalamic-serotonergic-system-and-attenuates-obesity-in-ovariectomized-rats
#12
Renata M Banin, Iracema S de Andrade, Suzete M Cerutti, Lila M Oyama, Mônica M Telles, Eliane B Ribeiro
Menopause is associated with increased risk to develop obesity but the mechanisms involved are not fully understood. We have shown that Ginkgo biloba extract (GbE) improved diet-induced obesity. Since GbE might be effective in the treatment of obesity related to menopause, avoiding the side effects of hormone replacement therapy, we investigated the effect of GbE on hypothalamic systems controlling energy homeostasis. Wistar rats were either ovariectomized (OVX) or Sham-operated. After 2 months, either 500 mg...
2017: Frontiers in Pharmacology
https://www.readbyqxmd.com/read/28928483/arca-overexpression-induces-fermentation-and-results-in-enhanced-growth-rates-of-e-coli
#13
Markus Basan, Sheng Hui, James R Williamson
Overflow metabolism in the presence of oxygen occurs at fast growth rates in a wide range of organisms including bacteria, yeast and cancer cells and plays an important role in biotechnology during production of proteins or metabolic compounds. As recently suggested, overflow metabolism can be understood in terms of proteome allocation, since fermentation has lower proteome cost for energy production than respiration. Here, we demonstrate that ArcA overexpression in aerobic conditions, results in downregulation of respiratory pathways and enhanced growth rates on glycolytic substrates of E...
September 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28927953/comparison-of-a-handheld-indirect-calorimetry-device-and-predictive-energy-equations-among-individuals-on-maintenance-hemodialysis
#14
Ellis A Morrow, Andrea Marcus, Laura Byham-Gray
OBJECTIVES: Practical methods for determining resting energy expenditure (REE) among individuals on maintenance hemodialysis (MHD) are needed because of the limitations of indirect calorimetry. Two disease-specific predictive energy equations (PEEs) have been developed for this metabolically complex population. The aim of this study was to compare estimated REE (eREE) by PEEs to measured REE (mREE) with a handheld indirect calorimetry device (HICD). METHODS: A prospective pilot study of adults on MHD (N = 40) was conducted at 2 dialysis clinics in Houston and Texas City, Texas...
September 16, 2017: Journal of Renal Nutrition
https://www.readbyqxmd.com/read/28926787/a-novel-a-b-process-for-enhanced-biological-nutrient-removal-in-municipal-wastewater-reclamation
#15
Guangjing Xu, Han Wang, Jun Gu, Nan Shen, Zheng Qiu, Yan Zhou, Yu Liu
This study developed an innovative A-B process for enhanced nutrients removal in municipal wastewater reclamation, in which a micro-aerated moving bed biofilm reactor served as A-stage and a step-feed sequencing batch reactor (SBR) as B-stage. In the A-stage, 55% of COD and 15% of ammonia nitrogen was removed, while more than 88% of the total nitrogen was removed via nitritation and denitritation, together with 93% of phosphorous removal at the B-stage where ammonia oxidizing bacteria activity was significantly higher than nitrite oxidizing bacteria activity...
September 12, 2017: Chemosphere
https://www.readbyqxmd.com/read/28925867/lignocellulosic-biomass-derived-functional-materials-synthesis-and-applications-in-biomedical-engineering
#16
Lei Zhang, Xinwen Peng, Linxin Zhong, Weitian Chua, Zhihua Xiang, Runcang Sun
The pertinent issue of resources shortage arising from global climate change in the recent years has accentuated the importance of materials that are environmental friendly. Despite the merits of current material like cellulose as the most abundant natural polysaccharide on earth, the incorporation of lignocellulosic biomass has the potential to value-add the recent development of cellulose-derivatives in drug delivery systems. Lignocellulosic biomass, with a hierarchical structure, comprised of cellulose, hemicellulose and lignin...
September 18, 2017: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/28925405/intermittent-energy-restriction-improves-weight-loss-efficiency-in-obese-men-the-matador-study
#17
N M Byrne, A Sainsbury, N A King, A P Hills, R E Wood
BACKGROUND/OBJECTIVES: The MATADOR (Minimising Adaptive Thermogenesis And Deactivating Obesity Rebound) study examined whether intermittent energy restriction (ER) improved weight loss efficiency compared with continuous ER and, if so, whether intermittent ER attenuated compensatory responses associated with ER. SUBJECTS/METHODS: Fifty-one men with obesity were randomised to 16 weeks of either: (1) continuous (CON), or (2) intermittent (INT) ER completed as 8 × 2-week blocks of ER alternating with 7 × 2-week blocks of energy balance (30 weeks total)...
August 17, 2017: International Journal of Obesity: Journal of the International Association for the Study of Obesity
https://www.readbyqxmd.com/read/28924176/low-carbon-renewable-natural-gas-production-from-coalbeds-and-implications-for-carbon-capture-and-storage
#18
Zaixing Huang, Christine Sednek, Michael A Urynowicz, Hongguang Guo, Qiurong Wang, Paul Fallgren, Song Jin, Yan Jin, Uche Igwe, Shengpin Li
Isotopic studies have shown that many of the world's coalbed natural gas plays are secondary biogenic in origin, suggesting a potential for gas regeneration through enhanced microbial activities. The generation of biogas through biostimulation and bioaugmentation is limited to the bioavailability of coal-derived compounds and is considered carbon positive. Here we show that plant-derived carbohydrates can be used as alternative substrates for gas generation by the indigenous coal seam microorganisms. The results suggest that coalbeds can act as natural geobioreactors to produce low carbon renewable natural gas, which can be considered carbon neutral, or perhaps even carbon negative depending on the amount of carbon sequestered within the coal...
September 18, 2017: Nature Communications
https://www.readbyqxmd.com/read/28922800/changes-in-fibre-adherent-and-fluid-associated-microbial-communities-and-fermentation-profiles-in-the-rumen-of-cattle-fed-diets-differing-in-hay-quality-and-concentrate-amount
#19
Fenja Klevenhusen, Renee M Petri, Maria-Theresia Kleefisch, Ratchaneewan Khiaosa-Ard, Barbara U Metzler-Zebeli, Qendrim Zebeli
The rumen microbiota enable important metabolic functions to the host cattle. Feeding of starch-rich concentrate feedstuffs to cattle has been demonstrated to increase the risk of metabolic disorders and to significantly alter the rumen microbiome. Thus, alternative feeding strategies like the use of high-quality hay, rich in sugars, as an alternative energy source need to be explored. The aim of this study was to investigate changes in rumen microbial abundances in the liquid and solid-associated fraction of cattle fed two hay qualities differing in sugar content with graded amounts of starchy concentrate feeds using Illumina MiSeq sequencing and quantitative polymerase chain reaction...
September 1, 2017: FEMS Microbiology Ecology
https://www.readbyqxmd.com/read/28922380/the-warburg-effect-as-an-adaptation-of-cancer-cells-to-rapid-fluctuations-in-energy-demand
#20
Tamir Epstein, Robert A Gatenby, Joel S Brown
To maintain optimal fitness, a cell must balance the risk of inadequate energy reserve for response to a potentially fatal perturbation against the long-term cost of maintaining high concentrations of ATP to meet occasional spikes in demand. Here we apply a game theoretic approach to address the dynamics of energy production and expenditure in eukaryotic cells. Conventionally, glucose metabolism is viewed as a function of oxygen concentrations in which the more efficient oxidation of glucose to CO2 and H2O produces all or nearly all ATP except under hypoxic conditions when less efficient (2 ATP/ glucose vs...
2017: PloS One
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