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https://www.readbyqxmd.com/read/28319375/dissociative-photoionization-of-dimethyl-carbonate-the-more-it-is-cut-the-bigger-the-fragment-ion
#1
Xiangkun Wu, Xiaoguo Zhou, Patrick Hemberger, Andras Bodi
The dissociation of internal energy selected dimethyl carbonate (DMC) cations was studied by imaging photoelectron photoion coincidence spectroscopy (iPEPICO) in the 10.3-12.5 eV photon energy range. Vibrational fine structure is observed in the ground state band of the threshold photoelectron spectrum up to the dissociation threshold, and Franck-Condon simulations identify the O-C-O bend mode, in particular in combination with the C=O stretch mode, to be active. The DMC ionization energy was determined to be 10...
March 20, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28318548/a-uniform-lmi-formulation-for-tuning-pid-multi-term-fractional-order-pid-and-tilt-integral-derivative-tid-for-integer-and-fractional-order-processes
#2
Farshad Merrikh-Bayat
In this paper first the Multi-term Fractional-Order PID (MFOPID) whose transfer function is equal to [Formula: see text] , where kj and αj are unknown and known real parameters respectively, is introduced. Without any loss of generality, a special form of MFOPID with transfer function kp+ki/s+kd1s+kd2s(μ) where kp, ki, kd1, and kd2 are unknown real and μ is a known positive real parameter, is considered. Similar to PID and TID, MFOPID is also linear in its parameters which makes it possible to study all of them in a same framework...
March 15, 2017: ISA Transactions
https://www.readbyqxmd.com/read/28317443/deterioration-of-the-anammox-process-at-decreasing-temperatures-and-long-srts
#3
Maaike Hoekstra, Florence A de Weerd, Robbert Kleerebezem, Mark C M van Loosdrecht
The implementation of autotrophic nitrogen removal in the mainstream of a municipal wastewater treatment plant is currently pursued. Among the crucial unknown factors are the kinetic properties of anaerobic ammonium oxidising (anammox) bacteria at low temperatures, as typically encountered for sewage in winter. In this study we investigated the adaptation of a fast growing anammox culture to a lower temperature. In a membrane bioreactor a highly enriched anammox community was obtained at 30, 25 and 20°C. The culture grew as free cells and small flocs (50 -150µm)...
March 19, 2017: Environmental Technology
https://www.readbyqxmd.com/read/28316005/purification-kinetic-and-thermodynamic-characteristics-of-an-exo-polygalacturonase-from-penicillium-notatum-with-industrial-perspective
#4
Faiza Amin, Haq Nawaz Bhatti, Muhammad Bilal, Muhammad Asgher
An extracellular exo-polygalacturonase (exo-PG) produced by Penicillium notatum was purified (3.07-folds) by ammonium sulfate fractionation, ion exchange, and gel filtration chromatography. Two distinct isoforms of the enzyme, namely exo-PGI and exo-PGII, were identified during column purification with molecular weights of 85 and 20 kDa, respectively, on sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). The enzyme displayed its optimum activity at pH 6.0 and 50 °C and was found to be stable in the slightly acidic pH (ranging from 4...
March 18, 2017: Applied Biochemistry and Biotechnology
https://www.readbyqxmd.com/read/28314372/exploring-fluorescent-dyes-at-biomimetic-interfaces-with-second-harmonic-generation-and-molecular-dynamics
#5
Giuseppe Licari, Lukasz Cwiklik, Pavel Jungwirth, Eric Vauthey
The adsorption of a DNA fluorescent probe belonging to the thiazole orange family at the dodecane/water and dodecane/phospholipid/water interfaces has been investigated using a combination of surface-second harmonic generation (SSHG) and all-atomistic molecular dynamics (MD) simulations. Both approaches point to a high affinity of the cationic dye for the dodecane/water interface with a Gibbs free energy of adsorption of the order of -45 kJ/mol. Similar affinity was observed with a monolayer of negatively charged DPPG (1,2-dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol)) lipids...
March 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28301170/substituent-correlations-characterized-by-hammett-constants-in-the-spiropyran-merocyanine-transition
#6
Oliver Brügner, Thomas Reichenbach, Michael Sommer, Michael Walter
The modification of molecular properties by the use of substituents is a versatile route for molecular design. Here we show for the example of multi-responsive spiropyrans that substituent effects and their correlations can be accurately described by Hammett constants, which in turn can be obtained directly from density functional theory calculations. The internal energetic difference ΔU between the non-colored and the colored form is determined for 63 spiropyran derivatives with substituents at the spiropyran N- and C 6 -positions, and can be described by only five parameters with an accuracy better than 0...
March 16, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28300527/the-development-of-an-evacuation-protocol-for-patients-with-ventricular-assist-devices-during-a-disaster
#7
Katherine J Davis, Joseph Suyama, Jennifer Lingler, Michael Beach
Introduction Health care providers are on the forefront of delivering care and allocating resources during a disaster; however, very few are adequately trained to respond in these situations. Furthermore, there is a void in the literature regarding the specific care needs of patients with ventricular assist devices (VADs) in a disaster setting. This project aimed to develop an evidenced-based protocol to aid health care providers during the evacuation of patients with VADs during a disaster. METHODS: This is a qualitative study that used expert review, tabletop discussion, and a survey of health care professionals to develop and evaluate an evacuation protocol...
March 16, 2017: Prehospital and Disaster Medicine
https://www.readbyqxmd.com/read/28300412/reconciling-differences-between-lipid-transfer-in-free-standing-and-solid-supported-membranes-a-time-resolved-small-angle-neutron-scattering-study
#8
Benny Wah, Jeffrey Michael Breidigan, Joseph Adams, Piotr Horbal, Sumit Garg, Lionel Porcar, Ursula Perez-Salas
Maintaining compositional lipid gradients across membranes in animal cells is essential to biological function, but what is the energetic cost to maintain these differences? It has long been recognized that studying the passive movement of lipids in membranes can provide insight into this toll. Unfortunately the reported values of inter, and particularly, intra- lipid transport rates of lipids in membranes show significant differences. To overcome this difficulty, biases introduced by experimental approaches have to be identified...
March 16, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28296943/new-approaches-to-determine-fatigue-in-elite-athletes-during-intensified-training-resting-metabolic-rate-and-pacing-profile
#9
Amy L Woods, Laura A Garvican-Lewis, Bronwen Lundy, Anthony J Rice, Kevin G Thompson
BACKGROUND: Elite rowers complete a high volume of training across a number of modalities to prepare for competition, including periods of intensified load, which may lead to fatigue and short-term performance decrements. As yet, the influence of substantial fatigue on resting metabolic rate (RMR) and exercise regulation (pacing), and their subsequent utility as monitoring parameters, has not been explicitly investigated in elite endurance athletes. METHOD: Ten National-level rowers completed a four-week period of intensified training...
2017: PloS One
https://www.readbyqxmd.com/read/28296293/direct-access-to-primary-amines-and-particle-morphology-control-in-nanoporous-co2-sorbents
#10
Nesibe A Dogan, Ercan Ozdemir, Cafer T Yavuz
Chemical tuning of nanoporous, solid sorbents for an ideal CO2 binding requires unhindered amine functional groups on the pore walls. Although common for soluble organics, post-synthetic reduction of nitriles in porous networks often fail due to the insufficient and irreversible metal hydride penetration. Here, we synthesized a nanoporous network with pendant nitrile groups, microsphere morphology and in large scale. The hollow microspheres were easily decorated with primary amines through in situ reduction by widely available boranes...
March 13, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28295772/dual-physical-cross-linked-tough-and-photoluminescent-hydrogels-with-good-biocompatibility-and-antibacterial-activity
#11
Chen Hu, Mei Xiang Wang, Lei Sun, Jian Hai Yang, Miklós Zrínyi, Yong Mei Chen
Development of novel photoluminescent hydrogels with toughness, biocompatibility, and antibiosis is important for the applications in biomedical field. Herein, novel tough photoluminescent lanthanide (Ln)-alginate/poly(vinyl alcohol) (PVA) hydrogels with the properties of biocompatibility and antibiosis have been facilely synthesized by introducing hydrogen bonds and coordination bonds into the interpenetrating networks of Na-alginate and PVA, via approaches of frozen-thawing and ion-exchanging. The resultant hydrogels exhibit high mechanical strength (0...
March 15, 2017: Macromolecular Rapid Communications
https://www.readbyqxmd.com/read/28294605/a-uranyl-peroxide-dimer-in-the-gas-phase
#12
Phuong D Dau, Phuong V Dau, Linfeng Rao, Attila Kovács, John K Gibson
The gas-phase uranyl peroxide dimer, [(UO2)2(O2)(L)2](2+) where L = 2,2'-trifluoroethylazanediyl)bis(N,N'-dimethylacetamide), was synthesized by electrospray ionization of a solution of UO2(2+) and L. Collision-induced dissociation of this dimer resulted in endothermic O atom elimination to give [(UO2)2(O)(L)2](2+), which was found to spontaneously react with water via exothermic hydrolytic chemisorption to yield [(UO2)2(OH)2(L)2](2+). Density functional theory computations of the energies for the gas-phase reactions are in accord with observations...
March 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28294431/fluorine-substituted-molecular-motors-with-a-quaternary-stereogenic-center
#13
Peter Štacko, Jos C M Kistemaker, Ben Lucas Feringa
A series of unprecedented second generation molecular motors featuring a quaternary stereogenic center substituted with a fluorine atom has been synthesized. It is demonstrated that a seemingly benign replacement of the stereogenic hydrogen for a fluorine atom, regarded as a common substituent in pharmacology, resulted in a dramatic change in the energetic profile of thermal helix inversion. The barrier for the thermal helix inversion was found to increase considerably (by 20-30 kJ·mol-1), presumably due to destabilization of the transition state by increased steric hindrance when the fluorine atom is forced to pass over the lower half of the motor...
March 15, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28294242/design-construction-and-testing-of-a-supercapacitive-swing-adsorption-module-for-co2-separation
#14
Cong Liu, Kai Landskron
We present a device which is able to separate gases from a gas stream using supercapacitive energy. When a small bias (1 V) is applied to the electrodes and a CO2/N2 mixture is fed through the device, carbon dioxide is selectively adsorbed to those electrodes, and N2 leaves the device in a purified form. When the module is discharged, the CO2 is quantitatively desorbed, and leaves the device in a concentrated form. A single module is able to concentrate CO2 from 15% in the feed gas to 46% in the effluent gas...
March 15, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28294231/temperature-dependence-of-photocatalytic-co2-reduction-by-trans-cl-ru-bpy-co-2cl2-activation-energy-difference-between-co-and-formate-production
#15
Hitoshi Ishida, Akihiko Sakaba
The temperature dependence of photocatalytic CO2 reduction by trans(Cl)-Ru(bpy)(CO)2Cl2 (bpy: 2,2'-bipyridine) has been researched in ethanol (EtOH)/N,N-dimethylacetamide (DMA) solutions containing [Ru(bpy)3](2+) (a photosensitizer) and 1-benzyl-1,4-dihydronicotinamide (BNAH, an electron donor). The catalytic system efficiently reduces CO2 to carbon monoxide (CO) with formate (HCOO(-)) as a minor product. The mechanism of the catalysis consists of the electron-relay cycle and the catalytic cycle: in the former cycle the photochemically generated reduced species of the photosensitizer injects an electron to the catalyst, and in the latter the catalyst reduces CO2...
March 15, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28293826/utility-of-thermo-alkali-stable-%C3%AE-ca-from-polyextremophilic-bacterium-aeribacillus-pallidus-tshb1-in-biomimetic-sequestration-of-co2-and-as-a-virtual-peroxidase
#16
Himadri Bose, Tulasi Satyanarayana
Aeribacillus pallidus TSHB1 polyextremophilic bacterium produces a γ-carbonic anhydrase (ApCA), which is a homotrimeric biocatalyst with a subunit molecular mass of 32 ± 2 kDa. The enzyme is stable in the pH range between 8.0 and 11.0 and thus alkali-stable and moderately thermostable with T1/2 values of 40 ± 1, 15 ± 1, and 8 ± 0.5 min at 60, 70, and 80 °C, respectively. Activation energy for irreversible inactivation "E d " of carbonic anhydrase is 67.119 kJ mol(-1). The enzyme is stable in the presence of various flue gas contaminants such as SO3(2-),SO4(2-), and NO3(-) and cations Mg(2+), Mn(2+), Ca(2+), and Ba(2+)...
March 14, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28293802/history-of-hypertension-heart-disease-and-diabetes-and-ovarian-cancer-patient-survival-evidence-from-the-ovarian-cancer-association-consortium
#17
Albina N Minlikeeva, Jo L Freudenheim, Rikki A Cannioto, J Brian Szender, Kevin H Eng, Francesmary Modugno, Roberta B Ness, Michael J LaMonte, Grace Friel, Brahm H Segal, Kunle Odunsi, Paul Mayor, Emese Zsiros, Barbara Schmalfeldt, Rüdiger Klapdor, Thilo Dӧrk, Peter Hillemanns, Linda E Kelemen, Martin Kӧbel, Helen Steed, Anna de Fazio, Susan J Jordan, Christina M Nagle, Harvey A Risch, Mary Anne Rossing, Jennifer A Doherty, Marc T Goodman, Robert Edwards, Keitaro Matsuo, Mika Mizuno, Beth Y Karlan, Susanne K Kjær, Estrid Høgdall, Allan Jensen, Joellen M Schildkraut, Kathryn L Terry, Daniel W Cramer, Elisa V Bandera, Lisa E Paddock, Lambertus A Kiemeney, Leon F Massuger, Jolanta Kupryjanczyk, Andrew Berchuck, Jenny Chang-Claude, Brenda Diergaarde, Penelope M Webb, Kirsten B Moysich
PURPOSE: Survival following ovarian cancer diagnosis is generally low; understanding factors related to prognosis could be important to optimize treatment. The role of previously diagnosed comorbidities and use of medications for those conditions in relation to prognosis for ovarian cancer patients has not been studied extensively, particularly according to histological subtype. METHODS: Using pooled data from fifteen studies participating in the Ovarian Cancer Association Consortium, we examined the associations between history of hypertension, heart disease, diabetes, and medications taken for these conditions and overall survival (OS) and progression-free survival (PFS) among patients diagnosed with invasive epithelial ovarian carcinoma...
March 14, 2017: Cancer Causes & Control: CCC
https://www.readbyqxmd.com/read/28292745/cardiopulmonary-resuscitation-training-in-schools-following-8%C3%A2-years-of-mandating-legislation-in-denmark-a-nationwide-survey
#18
Carolina Malta Hansen, Line Zinckernagel, Annette Kjær Ersbøll, Tine Tjørnhøj-Thomsen, Mads Wissenberg, Freddy Knudsen Lippert, Peter Weeke, Gunnar Hilmar Gislason, Lars Køber, Christian Torp-Pedersen, Fredrik Folke
BACKGROUND: School cardiopulmonary resuscitation (CPR) training has become mandatory in many countries, but whether legislation has translated into implementation of CPR training is largely unknown. We assessed CPR training of students following 8 years of legislative mandates in Denmark. METHODS AND RESULTS: A nationwide cross-sectional survey of Danish school leadership (n=1240) and ninth-grade homeroom teachers (n=1381) was carried out for school year 2013-2014...
March 14, 2017: Journal of the American Heart Association
https://www.readbyqxmd.com/read/28290257/an-analysis-of-partial-efficiencies-of-energy-utilisation-of-different-macronutrients-by-barramundi-lates-calcarifer-shows-that-starch-restricts-protein-utilisation-in-carnivorous-fish
#19
Brett D Glencross, David Blyth, Nicholas Bourne, Susan Cheers, Simon Irvin, Nicholas M Wade
This study examined the effect of including different dietary proportions of starch, protein and lipid, in diets balanced for digestible energy, on the utilisation efficiencies of dietary energy by barramundi (Lates calcarifer). Each diet was fed at one of three ration levels (satiety, 80 % of initial satiety and 60 % of initial satiety) for a 42-d period. Fish performance measures (weight gain, feed intake and feed conversion ratio) were all affected by dietary energy source. The efficiency of energy utilisation was significantly reduced in fish fed the starch diet relative to the other diets, but there were no significant effects between the other macronutrients...
March 14, 2017: British Journal of Nutrition
https://www.readbyqxmd.com/read/28288657/evaluation-of-a-smartphone-food-diary-application-using-objectively-measured-energy-expenditure
#20
Felicity J Pendergast, Nicola D Ridgers, Anthony Worsley, Sarah A McNaughton
BACKGROUND: Dietary assessment methods are limited in their ability to adequately measure food and beverage consumption. Smartphone applications may provide a novel method of dietary assessment to capture real-time food intake and the contextual factors surrounding eating occasions. The aim of this study is to evaluate the capability of a Smartphone meal diary app ("FoodNow") to measure food intake using a validated objective method for assessing energy expenditure among young adults...
March 14, 2017: International Journal of Behavioral Nutrition and Physical Activity
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