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https://www.readbyqxmd.com/read/28731702/drude-polarizable-force-field-for-molecular-dynamics-simulations-of-saturated-and-unsaturated-zwitterionic-lipids
#1
Hui Li, Janamejaya Chowdhary, Lei Huang, Xibing He, Alexander D MacKerell, Benoît Roux
Additive force fields are designed to account for induced electronic polarization in a mean-field average way using effective empirical fixed charges. The limitation of this approximation is cause for serious concerns, particularly in the case of lipid membranes, where the molecular environment undergoes dramatic variations over microscopic length scales. A polarizable force field based on the classical Drude oscillator offers a practical and computationally efficient framework for an improved representation of electrostatic interactions in molecular simulations...
July 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28731682/cold-adaptation-of-triosephosphate-isomerase
#2
Johan Åqvist
The main problem for enzymes from psychrophilic species, that need to work near the freezing point of liquid water, is the exponential decay of reaction rates as the temperature is lowered. Cold-adapted enzymes have solved this problem by shifting the activation enthalpy-entropy balance for the catalyzed reaction compared to their mesophilic orthologs. To understand the structural basis of this universal feature it is necessary to examine pairs of such orthologous enzymes, with known 3D structures, at the microscopic level...
July 21, 2017: Biochemistry
https://www.readbyqxmd.com/read/28730873/physiological-traits-determining-yield-tolerance-of-wheat-to-foliar-diseases
#3
Femke van den Berg, Neil Paveley, I J Bingham, Frank van den Bosch
Tolerance is defined as the ability of one cultivar to yield more than another cultivar, under similar disease severity. If both cultivars suffer an equal loss in healthy (green) leaf area duration (HAD) over the grain filling period due to disease presence, then the yield loss per unit HAD loss is smaller for a more tolerant cultivar. Little is understood of what physiological and developmental traits of cultivars determine disease tolerance. In this study we use a mathematical model of wheat to investigate the effect of a wide range of wheat phenotypes on tolerance...
July 21, 2017: Phytopathology
https://www.readbyqxmd.com/read/28730358/hydrogeochemical-characterization-and-groundwater-quality-assessment-in-intruded-coastal-brine-aquifers-laizhou-bay-china
#4
Xiaoying Zhang, Jinjie Miao, Bill X Hu, Hongwei Liu, Hanxiong Zhang, Zhen Ma
The aquifer in the coastal area of the Laizhou Bay is affected by salinization processes related to intense groundwater exploitation for brine resource and for agriculture irrigation during the last three decades. As a result, the dynamic balances among freshwater, brine, and seawater have been disturbed and the quality of groundwater has deteriorated. To fully understand the groundwater chemical distribution and evolution in the regional aquifers, hydrogeochemical and isotopic studies have been conducted based on the water samples from 102 observation wells...
July 20, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28729823/administration-of-tauroursodeoxycholic-acid-attenuates-early-brain-injury-via-akt-pathway-activation
#5
Dongdong Sun, Gang Gu, Jianhao Wang, Yan Chai, Yueshan Fan, Mengchen Yang, Xin Xu, Weiwei Gao, Fei Li, Dongpei Yin, Shuai Zhou, Xin Chen, Jianning Zhang
Traumatic brain injury (TBI) is one of the leading causes of trauma-induced mortality and disability, and emerging studies have shown that endoplasmic reticulum (ER) stress plays an important role in the pathophysiology of TBI. Tauroursodeoxycholic acid (TUDCA), a hydrophilic bile acid, has been reported to act as an ER stress inhibitor and chemical chaperone and to have the potential to attenuate apoptosis and inflammation. To study the effects of TUDCA on brain injury, we subjected mice to TBI with a controlled cortical impact (CCI) device...
2017: Frontiers in Cellular Neuroscience
https://www.readbyqxmd.com/read/28728141/estimates-of-soil-ingestion-in-a-population-of-chinese-children
#6
Chunye Lin, Beibei Wang, Xiaoyong Cui, Dongqun Xu, Hongguang Cheng, Qin Wang, Jin Ma, Tuanyao Chai, Xiaoli Duan, Xitao Liu, Junwei Ma, Xuan Zhang, Yanzhong Liu
BACKGROUND: China's soil pollution poses serious health risks. However, data regarding the soil ingestion rate (SIR) of the Chinese population, which is critical to assessing associated health risks, are lacking. OBJECTIVES: We estimated soil ingestion of 177 Chinese children from Guangdong, Hubei, and Gansu Provinces. METHODS: We conducted this investigation by employing a tracer mass-balance method. We collected a duplicate of all food consumed and all feces and urine excreted on 1 d () and over 3 consecutive d (), as well as soil samples from play areas and drinking-water samples...
July 5, 2017: Environmental Health Perspectives
https://www.readbyqxmd.com/read/28727890/surfactant-concentration-and-type-affects-the-removal-of-escherichia-coli-from-pig-skin-during-a-simulated-handwash
#7
Dane A Jensen, Michael A Rogers, Donald W Schaffner
The effect of surfactant type and concentration on a bland soap formulations ability to remove bacteria from hands remains largely unstudied. Several combinations of surfactants and water were combined to test bacterial removal efficacy using a handwashing device (two pieces of pig skin and a mechanical motor) to simulate a handwash. A nalidixic acid resistant, non-pathogenic strain of Escherichia coli (ATCC 11229) was used. Two anionic surfactants, sodium lauryl sulfate and sodium stearoyl lactylate, and two nonionic surfactants, poloxamer 407 and sorbitan monostearate, each in concentrations of 2%, 5%, and 10% were studied...
July 20, 2017: Letters in Applied Microbiology
https://www.readbyqxmd.com/read/28726991/high-sulfate-water-consumption-determines-intake-and-metabolic-responses-to-protein-supplementation-in-lambs-consuming-low-quality-forage
#8
A López, J I Arroquy, A V Juárez Sequeira, N DiLorenzo, M C Barrionuevo, R A Distel
Twenty Hampshire lambs (31 ± 4 kg BW) in individual metabolism cages were used in a 10-treatment by 2-period ( = 4) trial to evaluate the interaction between protein supplementation and sulfate water on intake and metabolic responses when lambs were fed low-quality grass hay (; 6.4% CP, 79.5% NDF). The treatment structure was a 2 × 5 factorial: 2 water qualities (WQ; low-sulfate [LS] and high-sulfate [HS]; 442 and 8,358 mg/kg total dissolved solids, respectively) and 5 soybean meal levels (SBM; 0%, 0.25%, 0...
May 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28725573/determination-of-nitrogen-balance-in-agroecosystems
#9
Upendra M Sainju
Nitrogen balance in agroecosystems provides a quantitative framework of N inputs and outputs and retention in the soil that examines the sustainability of agricultural productivity and soil and environmental quality. Nitrogen inputs include N additions from manures and fertilizers, atmospheric depositions including wet and dry depositions, irrigation water, and biological N fixation. Nitrogen outputs include N removal in crop grain and biomass and N losses through leaching, denitrification, volatilization, surface runoff, erosion, gas emissions, and plant senescence...
2017: MethodsX
https://www.readbyqxmd.com/read/28725389/quality-versus-quantity-foraging-decisions-in-the-honeybee-apis-mellifera-scutellata-feeding-on-wildflower-nectar-and-fruit-juice
#10
Kyle Shackleton, Nicholas J Balfour, Hasan Al Toufailia, Roberto Gaioski, Marcela de Matos Barbosa, Carina A de S Silva, José M S Bento, Denise A Alves, Francis L W Ratnieks
Foraging animals must often decide among resources which vary in quality and quantity. Nectar is a resource that exists along a continuum of quality in terms of sugar concentration and is the primary energy source for bees. Alternative sugar sources exist, including fruit juice, which generally has lower energetic value than nectar. We observed many honeybees (Apis mellifera scutellata) foraging on juice from fallen guava (Psidium guajava) fruit near others foraging on nectar. To investigate whether fruit and nectar offered contrasting benefits of quality and quantity, we compared honeybee foraging performance on P...
October 2016: Ecology and Evolution
https://www.readbyqxmd.com/read/28725384/emissions-of-methane-from-northern-peatlands-a-review-of-management-impacts-and-implications-for-future-management-options
#11
REVIEW
Mohamed Abdalla, Astley Hastings, Jaak Truu, Mikk Espenberg, Ülo Mander, Pete Smith
Northern peatlands constitute a significant source of atmospheric methane (CH 4). However, management of undisturbed peatlands, as well as the restoration of disturbed peatlands, will alter the exchange of CH 4 with the atmosphere. The aim of this systematic review and meta-analysis was to collate and analyze published studies to improve our understanding of the factors that control CH 4 emissions and the impacts of management on the gas flux from northern (latitude 40° to 70°N) peatlands. The analysis includes a total of 87 studies reporting measurements of CH 4 emissions taken at 186 sites covering different countries, peatland types, and management systems...
October 2016: Ecology and Evolution
https://www.readbyqxmd.com/read/28724475/blood-profile-and-meat-quality-of-holstein-friesian-steers-finished-on-total-mixed-ration-or-flaxseed-oil-supplemented-pellet-mixed-with-reed-canary-grass-haylage
#12
D T Utama, S G Lee, K H Baek, W S Chung, I A Chung, D I Kim, G Y Kim, S K Lee
Holstein-Friesian steer beef production is renowned globally as a secondary product of the milk industry. Grass feeding is a common practice in raising Holstein steers because of its low cost. Furthermore, grass feeding is an alternative way to produce beef with a balanced n-6 to n-3 fatty acids (FAs) ratio. However, the performance and meat quality of Holstein-Friesian cattle is more likely to depend on a high-quality diet. The aim of this study was to observe whether feeding two mixed diets; a corn-based total mixed ration (TMR) with winter ryegrass (Lolium perenne) or flaxseed oil-supplemented pellets with reed canary grass haylage (n-3 mix) provided benefits on carcass weight, meat quality and FA composition compared with cattle fed with reed canary grass (Phalaris arundinacea) haylage alone...
July 20, 2017: Animal: An International Journal of Animal Bioscience
https://www.readbyqxmd.com/read/28724452/exercise-energy-expenditure-and-energy-balance-as-measured-with-doubly-labelled-water
#13
Klaas R Westerterp
The doubly labelled water method for the measurement of total daily energy expenditure (TDEE) over 1-3 weeks under daily living conditions is the indicated method to study effects of exercise and extreme environments on energy balance. Subjects consume a measured amount of doubly labelled water (2H2 18O) to increase background enrichment of body water for 18O and 2H, and the subsequent difference in elimination rate between 18O and 2H, as measured in urine, saliva or blood samples, is a measure for carbon dioxide production and thus allows calculation of TDEE...
July 20, 2017: Proceedings of the Nutrition Society
https://www.readbyqxmd.com/read/28723095/facile-and-low-temperature-fabrication-of-thermochromic-cr2o3-vo2-smart-coatings-enhanced-solar-modulation-ability-high-luminous-transmittance-and-uv-shielding-function
#14
Tianci Chang, Xun Cao, Ning Li, Shiwei Long, Xiang Gao, Liv R Dedon, Guangyao Sun, Hongjie Luo, Ping Jin
In the pursuit of energy efficient materials, vanadium dioxide (VO2) based smart coatings have gained much attention in recent years. For smart window applications, VO2 thin films should be fabricated at low temperature to reduce the cost in commercial fabrication and solve compatibility problems. Meanwhile, thermochromic performance with high luminous transmittance and solar modulation ability as well as effective UV shielding function has become the most important developing strategy for ideal smart windows...
July 19, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28722754/-31-p-nmr-evidence-for-peroxide-intermediates-in-lipid-emulsion-photooxidations-phosphine-substituent-effects-in-trapping
#15
Prabhu P Mohapatra, Callistus O Chiemezie, Arina Kligman, Michele M Kim, Theresa M Busch, Timothy C Zhu, Alexander Greer
Intralipid is a lipid emulsion used in photodynamic therapy (PDT) for its light scattering and tissue-simulating properties. The purpose of this study is to determine whether or not Intralipid undergoes photooxidation, we have carried out an Intralipid peroxide trapping study using a series of phosphines [2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulfonate, 3-(diphenylphosphino)benzenesulfonate, triphenylphosphine-3,3',3''-trisulfonate, and triphenylphosphine]. Our new findings are as follows: (i) An oxygen atom is transferred from Intralipid peroxide to the phosphine traps in the dark, after the photooxidation of Intralipid...
July 19, 2017: Photochemistry and Photobiology
https://www.readbyqxmd.com/read/28722461/-disorders-of-water-and-electrolyte-metabolism-and-changes-in-acid-base-balance-in-patients-with-ascitic-liver-cirrhosis
#16
Halima Gottfriedová, Miroslava Horáčková, Milena Čáslavská, Julius Špičák, Otto Schück
In patients with advanced cirrhosis with ascites disorders of water and electrolyte metabolism are often present and they are associated with changes in acid-base balance. These changes can be very complicated, their diagnosis and treatment difficult. Dilutional hyponatremia is the most common disorder. Hyponatremia in these patients is associated with increased morbidity and mortality before and after liver transplantation. Other common disorders include hyperchloremic acidosis, hypokalemia, metabolic alkalosis, lactic acidosis, respiratory alkalosis...
2017: Casopís Lékar̆ů C̆eských
https://www.readbyqxmd.com/read/28721857/stress-adaptation
#17
Alistair J P Brown, Leah E Cowen, Antonio di Pietro, Janet Quinn
Fungal species display an extraordinarily diverse range of lifestyles. Nevertheless, the survival of each species depends on its ability to sense and respond to changes in its natural environment. Environmental changes such as fluctuations in temperature, water balance or pH, or exposure to chemical insults such as reactive oxygen and nitrogen species exert stresses that perturb cellular homeostasis and cause molecular damage to the fungal cell. Consequently, fungi have evolved mechanisms to repair this damage, detoxify chemical insults, and restore cellular homeostasis...
July 2017: Microbiology Spectrum
https://www.readbyqxmd.com/read/28718823/surface-chemistry-interactions-of-cationorm-with-films-by-human-meibum-and-tear-film-compounds
#18
Georgi As Georgiev, Norihiko Yokoi, Yana Nencheva, Nikola Peev, Philippe Daull
Cationorm(®) (CN) cationic nanoemulsion was demonstrated to enhance tear film (TF) stability in vivo possibly via effects on tear film lipid layer (TFLL). Therefore the interactions of CN with human meibum (MGS) and TFLL in vitro and in vivo deserve special study. MGS and CN were spread at the air/water interface of a Langmuir surface balance to ensure a range of MGS/CN oil phase ratios: 20/1, 10/1, 5/1, 3/1, 2/1 and 1/1. The films capability to reorganize during dynamic area changes was evaluated via the surface pressure-area compression isotherms and step/relaxation dilatational rheology studies...
July 18, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28717597/cuticle-hydrocarbons-in-saline-aquatic-beetles
#19
María Botella-Cruz, Adrián Villastrigo, Susana Pallarés, Elena López-Gallego, Andrés Millán, Josefa Velasco
Hydrocarbons are the principal component of insect cuticle and play an important role in maintaining water balance. Cuticular impermeability could be an adaptative response to salinity and desiccation in aquatic insects; however, cuticular hydrocarbons have been poorly explored in this group and there are no previous data on saline species. We characterized cuticular hydrocarbons of adults and larvae of two saline aquatic beetles, namely Nebrioporus baeticus (Dytiscidae) and Enochrus jesusarribasi (Hydrophilidae), using a gas chromatograph coupled to a mass spectrometer...
2017: PeerJ
https://www.readbyqxmd.com/read/28717313/study-of-morphology-chemical-and-amino-acid-composition-of-red-deer-meat
#20
Eleonora Okuskhanova, Bahytkul Assenova, Maksim Rebezov, Kumarbek Amirkhanov, Zhanibek Yessimbekov, Farida Smolnikova, Almagul Nurgazezova, Gulnur Nurymkhan, Marilyne Stuart
AIM: The aim of this study was to evaluate red deer (maral) meat quality based on chemical composition, pH, water-binding capacity (WBC), and amino acid content. MATERIALS AND METHODS: Maral meat surface morphology measurements were obtained by scanning electron microscopy. Active acidity (pH) was determined by potentiometry. Samples were analyzed for WBC by exudation of moisture to a filter paper by the application of pressure. Chemical composition (moisture, protein, fat, and ash fractions) was obtained by drying at 150°C and by extraction, using ethylic ether, and ashing at 500-600°C...
June 2017: Veterinary World
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