keyword
MENU ▼
Read by QxMD icon Read
search

Subtle energies

keyword
https://www.readbyqxmd.com/read/28345911/subtle-microwave-induced-overheating-effects-in-an-industrial-de-methylation-reaction-and-their-direct-use-in-the-development-of-an-innovative-microwave-reactor
#1
Mario De Bruyn, Vitaliy L Budarin, Guido S J Sturm, Georgios D Stefanidis, Marilena Radoiu, Andrzej Stankiewicz, Duncan J Macquarrie
A systematic study of the conventional and microwave (MW) kinetics of an industrially relevant demethylation reaction is presented. In using industrially relevant reaction conditions the dominant influence of the solvent on the MW energy dissipation is avoided. Below the boiling point, the effect of MWs on the activation energy Ea and k0 is found non-existent. Interestingly under reflux conditions the microwave heated (MWH) reaction displays very pronounced zero order kinetics, displaying a much higher reaction rate than observed for the conventionally thermal heated (CTH) reaction...
March 27, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28337148/on-the-estimation-accuracy-of-the-3d-body-center-of-mass-trajectory-during-human-locomotion-inverse-vs-forward-dynamics
#2
Gaspare Pavei, Elena Seminati, Dario Cazzola, Alberto E Minetti
The dynamics of body center of mass (BCoM) 3D trajectory during locomotion is crucial to the mechanical understanding of the different gaits. Forward Dynamics (FD) obtains BCoM motion from ground reaction forces while Inverse Dynamics (ID) estimates BCoM position and speed from motion capture of body segments. These two techniques are widely used by the literature on the estimation of BCoM. Despite the specific pros and cons of both methods, FD is less biased and considered as the golden standard, while ID estimates strongly depend on the segmental model adopted to schematically represent the moving body...
2017: Frontiers in Physiology
https://www.readbyqxmd.com/read/28330686/imaging-of-acute-and-chronic-thromboembolic-disease-state-of-the-art
#3
REVIEW
A Ruggiero, N J Screaton
Acute pulmonary embolism (PE) is a life-threatening condition that requires prompt diagnosis and treatment. Recent advances in imaging allow acute and rapid recognition even by the non-specialist radiologist. Most acute emboli resolve on anticoagulation without sequelae; however, some emboli fail to fully resolve becoming endothelialised with the development of chronic thromboembolic disease (CTED). Increased pulmonary vascular resistance arising from CTED may lead to chronic thromboembolic pulmonary hypertension (CTEPH) a debilitating disease affecting up to 5% of survivors of acute PE...
March 19, 2017: Clinical Radiology
https://www.readbyqxmd.com/read/28327711/a-global-coupled-cluster-potential-energy-surface-for-hcl-oh-%C3%A2-cl-h2o
#4
Junxiang Zuo, Bin Zhao, Hua Guo, Daiqian Xie
A new and more accurate full-dimensional global potential energy surface (PES) for the ground electronic state of the ClH2O system is developed by fitting 15 777 points obtained using an explicitly correlated unrestricted coupled-cluster method with single, double, and perturbative triple excitations (UCCSD(T)-F12b). The fitting is carried out using the permutation invariant polynomial-neural network (PIP-NN) method and has an error of 6.9 meV. The new PES has a slightly lower barrier for the atmospherically important HCl + OH → Cl + H2O reaction than the previous PES based on multi-reference configuration interaction (MRCI) calculations...
March 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28303116/comparative-physiology-of-energy-metabolism-fishing-for-endocrine-signals-in-the-early-vertebrate-pool
#5
REVIEW
Iris van de Pol, Gert Flik, Marnix Gorissen
Energy is the common currency of life. To guarantee a homeostatic supply of energy, multiple neuro-endocrine systems have evolved in vertebrates; systems that regulate food intake, metabolism, and distribution of energy. Even subtle (lasting) dysregulation of the delicate balance of energy intake and expenditure may result in severe pathologies. Feeding-related pathologies have fueled research on mammals, including of course the human species. The mechanisms regulating food intake and body mass are well-characterized in these vertebrates...
2017: Frontiers in Endocrinology
https://www.readbyqxmd.com/read/28301724/effects-of-solution-structure-on-the-folding-of-lysozyme-ions-in-the-gas-phase
#6
Kenneth J Laszlo, Eleanor B Munger, Matthew F Bush
The fidelity between the structures of proteins in solution and protein ions in the gas phase is critical to experiments that use gas-phase measurements to infer structures in solution. Here we generate ions of lysozyme, a 129-residue protein whose native tertiary structure contains four internal disulfide bonds, from three solutions that preserve varying extents of the original native structure. We then use cation-to-anion proton-transfer reactions (CAPTR) to reduce the charge states of those ions in the gas phase and ion mobility to probe their structures...
March 16, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28266851/phenanthridine-containing-pincer-like-amido-complexes-of-nickel-palladium-and-platinum
#7
Pavan Mandapati, Patrick K Giesbrecht, Rebecca L Davis, David E Herbert
Proligands based on bis(8-quinolinyl)amine (L1) were prepared containing one (L2) and two (L3) benzo-fused N-heterocyclic phenanthridinyl (3,4-benzoquinolinyl) units. Taken as a series, L1-L3 provides a ligand template for exploring systematic π-extension in the context of tridentate pincer-like amido complexes of group 10 metals (1-M, 2-M, and 3-M; M = Ni, Pd, Pt). Inclusion of phenanthridinyl units was enabled by development of a cross-coupling/condensation route to 6-unsubstituted, 4-substituted phenanthridines (4-Br, 4-NO2, 4-NH2) suitable for elaboration into the target ligand frameworks...
March 7, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28258886/cross-calibrated-dual-energy-x-ray-absorptiometry-scanners-demonstrate-systematic-bias-in-pediatric-and-young-adult-females
#8
Jodi N Dowthwaite, Kristen A Dunsmore, Dongliang Wang, Paula F Rosenbaum, Tamara A Scerpella
Consistency of dual-energy X-ray absorptiometry (DXA) scan results is critical for data integrity. For pediatric subjects, the extent to which cross-calibration of DXA scanners alleviates model-to-model scanner differences is unclear. In the current study, DXA bone outcomes were compared for same-day measurements performed using different scanners, cross-calibrated to alleviate discrepancies (Hologic; Discovery A [DISCO] and QDR 4500W [QDR]). Interscanner differences were evaluated in approximately 130 females aged 8-24 yr...
February 28, 2017: Journal of Clinical Densitometry
https://www.readbyqxmd.com/read/28254433/loss-of-fkbp5-impedes-adipocyte-differentiation-under-both-normoxia-and-hypoxic-stress
#9
Lingling Zhang, Bin Qiu, Tingting Wang, Jun Wang, Ming Liu, Yuxue Xu, Chao Wang, Ran Deng, Kent Williams, Zhiwei Yang, Tiebing Liang, Weidong Yong
FK506-binding protein 51 (FKBP51) is one of the most important regulators in the GR-mediated stress response, and we previously demonstrated that loss of FKBP5 arrests adipogenesis and renders mice resistant to diet-induced obesity (DIO). However, the exact role of FKBP5 in the process of adipocyte differentiation under hypoxic conditions (the common microenvironment where adipocytes reside in obese individuals) is still unclear. Here, by isolating and culturing WT- and Fkbp5-knockout mouse embryonic fibroblasts (MEFs), and treat them at normal oxygen environment (21% O2, nomorxia) or low oxygen environment (5% O2, hypoxia)...
April 15, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/28245359/many-body-interactions-in-ice
#10
C Huy Pham, Sandeep K Reddy, Karl Chen, Chris Knight, Francesco Paesani
Many-body effects in ice are investigated through a systematic analysis of the lattice energies of several proton ordered and disordered phases, which are calculated with different flexible water models, ranging from pairwise additive (q-TIP4P/F) to polarizable (TTM3-F and AMOEBA) and explicit many-body (MB-pol) potential energy functions. Comparisons with available experimental and diffusion Monte Carlo data emphasize the importance of an accurate description of the individual terms of the many-body expansion of the interaction energy between water molecules for the correct prediction of the energy ordering of the ice phases...
March 7, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28240887/hierarchy-of-supramolecular-arrangements-and-building-blocks-inverted-paradigm-of-crystal-engineering-in-the-unprecedented-metal-coordination-of-methylene-blue
#11
Stefano Canossa, Alessia Bacchi, Claudia Graiff, Paolo Pelagatti, Giovanni Predieri, Andrea Ienco, Gabriele Manca, Carlo Mealli
The aromatic methylene blue cation (MB(+)) shows unprecedented ligand behavior in the X-ray structures of the trigonal-planar (TP) complexes MBMCl2 (M = Cu(I), Ag(I)). The two isostructural compounds were exclusively synthesized by grinding together methylene blue chloride and MCl solids. Only in the case of AuCl did the technique lead to a different, yet isoformular, Au(I) derivative with separated MB(+) and AuCl2(-) counterions and no direct N-Au linkage. While the density functional theory (DFT) molecular modeling failed in reproducing the isolated Cu and Ag complexes, the solid-state program CRYSTAL satisfactorily provided for Cu the correct TP building block associated with a highly compact π stacking of the MB(+) ligands...
February 27, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28239707/optically-probing-the-localized-to-delocalized-transition-in-mo2-mo2-mixed-valence-systems
#12
Yi Yang Wu, Miao Meng, Gang Yi Wang, Pengju Feng, Chun Y Liu
Four thienylene (C4H2S) bridged Mo2 dimers, [Mo2(DAniF)3]2(μ-OOCC4H2SCOO) (DAniF = N,N'-di(p-anisyl)formamidinate), [Mo2(DAniF)3]2(μ-N(H)SCC4H2SCN(H)S), [Mo2(DAniF)3]2(μ-OSCC4H2SCSO) and [Mo2(DAniF)3]2(μ-SSCC4H2SCSS), have been synthesized and studied in terms of electronic coupling. The subtle structural differences between these compounds vary largely the extent of electron delocalization; consequently, a systematic transition from Class II to Class III via Class II-III is achieved, which is probed using spectral parameters of intervalence charge transfer (IVCT) absorption (band energy, intensity and shape) for the mixed-valence complexes...
February 27, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28236645/an-effective-noise-reduction-method-for-multi-energy-ct-images-that-exploits-spatio-spectral-features
#13
Zhoubo Li, Shuai Leng, Lifeng Yu, Armando Manduca, Cynthia H McCollough
PURPOSE: To develop and evaluate an image-domain noise reduction method for multi-energy CT (MECT) data. METHODS: Multi-Energy Non-Local Means (MENLM) is a technique that uses the redundant information in MECT images to achieve noise reduction. In this method, spatio-spectral features are used to determine the similarity between pixels, making the similarity evaluation more robust to image noise. The performance of this MENLM filter was tested on images acquired on a whole-body research photon counting CT system...
February 25, 2017: Medical Physics
https://www.readbyqxmd.com/read/28230324/effects-of-short-term-energy-restriction-on-liver-lipid-content-and-inflammatory-status-in-severely-obese-adults-results-of-a-randomised-controlled-trial-rct-using-two-dietary-approaches
#14
Emma L Baldry, Guruprasad P Aithal, Philip Kaye, Iskandar R Idris, Andrew Bennett, Paul C Leeder, Ian A Macdonald
Short-term very low energy diets (VLED) are used in clinical practice prior to bariatric surgery, however, regimens vary and outcomes for a short intervention are unclear. We examined the effect of two VLEDs; a food-based diet (FD) and meal replacement plan (MRP) (LighterLife) over two weeks in a randomised controlled trial (RCT). We collected clinical and anthropometric data, fasting blood samples, and dietary evaluation questionnaires. Surgeons took liver biopsies and made a visual assessment of the liver...
February 23, 2017: Diabetes, Obesity & Metabolism
https://www.readbyqxmd.com/read/28219998/intensity-dependences-of-the-nonlinear-optical-excitation-of-plasmons-in-graphene
#15
T J Constant, S M Hornett, D E Chang, E Hendry
Recently, we demonstrated an all-optical coupling scheme for plasmons, which takes advantage of the intrinsic nonlinear optical response of graphene. Frequency mixing using free-space, visible light pulses generates surface plasmons in a planar graphene sample, where the phase matching condition can define both the wavevector and energy of surface waves and intraband transitions. Here, we also show that the plasmon generation process is strongly intensity-dependent, with resonance features washed out for absorbed pulse fluences greater than 0...
March 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28219798/integrative-hepatoprotective-efficacy-comparison-of-raw-and-vinegar-baked-radix-bupleuri-using-nuclear-magnetic-resonance-based-metabolomics
#16
Jie Xing, Hui-Min Sun, Jin-Ping Jia, Xue-Mei Qin, Zhen-Yu Li
Radix Bupleuri (RB), with a Chinese name Chaihu, is one of the most popular Traditional Chinese herbal drug. It can be baked with vinegar to afford vinegar-baked Radix Bupleuri (VBRB), which is used in Traditional Chinese Medicine (TCM) for liver diseases treatment. In the present study, nuclear magnetic resonance-based metabolomic approach was used to compare the liver protective effect of RB and two types of VBRBs, which were prepared by two kinds of vinegar. The contents of 14 metabolites in the liver of carbon tetrachloride (CCl4) treated mice were significantly altered in comparison with control group, and VBRB prepared by Shanxi vinegar showed best effect as revealed by the amount and regulatory degree of the perturbed metabolites...
February 7, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28197890/relationships-among-diet-physical-activity-and-dual-plane-dual-energy-x-ray-absorptiometry-bone-outcomes-in-pre-pubertalgirls
#17
Jie Ren, Lynn S Brann, Kay S Bruening, Tamara A Scerpella, Jodi N Dowthwaite
In pre-pubertal girls, nutrient intakes and non-aquatic organized activity were evaluated as factors in vertebral body bone mass, structure, and strength. Activity, vitamin B12, and dietary fiber predicted bone outcomes most consistently. Exercise and vitamin B12 appear beneficial, whereas high fiber intake appears to be adverse for vertebral body development. PURPOSE: Childhood development sets the baseline for adult fracture risk. Most studies evaluate development using postero-anterior (PA) dual-energy X-ray absorptiometry (DXA) areal bone mineral density, bone mineral content, and bone mineral apparent density...
December 2017: Archives of Osteoporosis
https://www.readbyqxmd.com/read/28194987/mass-defect-based-n-n-dimethyl-leucine-labels-for-quantitative-proteomics-and-amine-metabolomics-of-pancreatic-cancer-cells
#18
Ling Hao, Jillian Johnson, Christopher B Lietz, Amanda Buchberger, Dustin Frost, W John Kao, Lingjun Li
Mass spectrometry-based stable isotope labeling has become a key technology for protein and small-molecule analyses. We developed a multiplexed quantification method for simultaneous proteomics and amine metabolomics analyses via nano reversed-phase liquid chromatography-tandem mass spectrometry (nanoRPLC-MS/MS), called mass defect-based N,N-dimethyl leucine (mdDiLeu) labeling. The duplex mdDiLeu reagents were custom-synthesized with a mass difference of 20.5 mDa, arising from the subtle variation in nuclear binding energy between the two DiLeu isotopologues...
January 17, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28186094/obliquity-paced-climate-change-recorded-in-antarctic-debris-covered-glaciers
#19
Sean L Mackay, David R Marchant
The degree to which debris-covered glaciers record past environmental conditions is debated. Here we describe a novel palaeoclimate archive derived from the surface morphology and internal debris within cold-based debris-covered glaciers in Antarctica. Results show that subtle changes in mass balance impart major changes in the concentration of englacial debris and corresponding surface topography, and that over the past ∼220 ka, at least, the changes are related to obliquity-paced solar radiation, manifest as variations in total summer energy...
February 10, 2017: Nature Communications
https://www.readbyqxmd.com/read/28181433/influence-of-surface-adsorption-on-the-oxygen-evolution-reaction-on-iro2-110
#20
Ding-Yuan Kuo, Jason K Kawasaki, Jocienne N Nelson, Jan Kloppenburg, Geoffroy Hautier, Kyle M Shen, Darrell G Schlom, Jin Suntivich
A catalyst functions by stabilizing reaction intermediates, usually through surface adsorption. In the oxygen evolution reaction (OER), surface oxygen adsorption plays an indispensable role in the electrocatalysis. The relationship between the adsorption energetics and OER kinetics, however, has not yet been experimentally measured. Herein we report an experimental relationship between the adsorption of surface oxygen and the kinetics of the OER on IrO2(110) epitaxially grown on a TiO2(110) single crystal. The high quality of the IrO2 film grown using molecular-beam epitaxy affords the ability to extract the surface oxygen adsorption and its impact on the OER...
February 21, 2017: Journal of the American Chemical Society
keyword
keyword
111714
1
2
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"