keyword
MENU ▼
Read by QxMD icon Read
search

frontier

keyword
https://www.readbyqxmd.com/read/28107683/altering-intra-to-inter-molecular-hydrogen-bonding-by-dimethylsulfoxide-a-tddft-study-of-charge-transfer-for-coumarin-343
#1
Xiaochun Liu, Hang Yin, Hui Li, Ying Shi
DFT and TDDFT methods were carried out to investigate the influences of intramolecular and intermolecular hydrogen bonding on excited state charge transfer for coumarin 343 (C343). Intramolecular hydrogen bonding is formed between carboxylic acid group and carbonyl group in C343 monomer. However, in dimethylsulfoxide (DMSO) solution, DMSO 'opens up' the intramolecular hydrogen bonding and forms solute-solvent intermolecular hydrogen bonded C343-DMSO complex. Analysis of frontier molecular orbitals reveals that intramolecular charge transfer (ICT) occurs in the first excited state both for C343 monomer and complex...
January 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28106749/new-frontiers-on-the-metabolism-bioavailability-and-health-effects-of-phenolic-compounds
#2
EDITORIAL
Pedro Mena, Rafael Llorach
n/a.
January 17, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28106550/factors-underpinning-caregiver-burden-in-frontotemporal-dementia-differ-in-spouses-and-their-children
#3
Cassandra Kaizik, Jashelle Caga, Julieta Camino, Claire M O'Connor, Colleen McKinnon, Jan R Oyebode, Olivier Piguet, John R Hodges, Eneida Mioshi
The objectives of this observational study were to (1) compare spousal and child caregiver burden; (2) compare co-resident and live-out child caregiver burden; and (3) investigate factors influencing spousal and child caregiver burden. Data was collected from 90 caregivers of people with frontotemporal degeneration (FTD) recruited from the Frontotemporal Dementia Research Group (Frontier) at Neuroscience Research, Australia. Of this caregiver group, 43 were spousal caregivers and 47 were child caregivers. Caregiver burden and emotional state were evaluated using the short Zarit Burden Interview and the short version of the Depression, Anxiety and Stress Scale-21...
January 18, 2017: Journal of Alzheimer's Disease: JAD
https://www.readbyqxmd.com/read/28106432/time-to-go-beyond-triple-gauge-boson-coupling-interpretation-of-w-pair-production
#4
Zhengkang Zhang
W boson pair production processes at e^{+}e^{-} and pp colliders have been conventionally interpreted as measurements of WWZ and WWγ triple gauge couplings (TGCs). Such an interpretation is based on the assumption that new physics effects other than anomalous TGCs are negligible. While this "TGC dominance assumption" was well motivated and useful at LEP2 thanks to precision electroweak constraints, it is already challenged by recent LHC data. In fact, contributions from anomalous Z boson couplings that are allowed by electroweak precision data but neglected in LHC analyses, which are enhanced at high energy, can even dominate over those from the anomalous TGCs considered...
January 6, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28105002/erratum-association-of-cell-adhesion-molecules-contactin-6-and-latrophilin-1-regulates-neuronal-apoptosis
#5
(no author information available yet)
[This corrects the article on p. 143 in vol. 9, PMID: 28018171.].
2017: Frontiers in Molecular Neuroscience
https://www.readbyqxmd.com/read/28103871/a-descriptive-survey-study-of-violence-management-and-priorities-among-psychiatric-staff-in-mental-health-services-across-seventeen-european-countries
#6
Seamus Cowman, Anna Björkdahl, Eric Clarke, Georgina Gethin, Jim Maguire
BACKGROUND: In mental health services what is commonplace across international frontiers is that to prevent aggressive patients from harming themselves, other patients or staff, coercive measures and foremost, violence management strategies are required. There is no agreement, recommendations or direction from the EU on which measures of coercion should be practiced across EU countries, and there is no overall one best practice approach. METHODS: The project was conceived through an expert group, the European Violence in Psychiatry Research Group (EViPRG)...
January 19, 2017: BMC Health Services Research
https://www.readbyqxmd.com/read/28103626/nonalcoholic-fatty-liver-disease-in-adolescents-and-young-adults-the-next-frontier-in-the-epidemic
#7
REVIEW
Iliana Doycheva, Kymberly D Watt, Naim Alkhouri
Nonalcoholic fatty liver disease (NAFLD) is a significant health burden in adolescents and young adults (AYAs) with substantial rise in prevalence over the last decades. This parallels high rates of obesity and metabolic syndrome in this age group, with unhealthy lifestyle also playing an independent role. Genetic factors, gender, and ethnicity should be considered in a risk stratification model. NAFLD and nonalcoholic steatohepatitis (NASH) in AYAs often go unrecognized and if untreated, can progress eventually to cirrhosis requiring liver transplantation before the age of 40...
January 19, 2017: Hepatology: Official Journal of the American Association for the Study of Liver Diseases
https://www.readbyqxmd.com/read/28103513/interventional-radiology-in-the-management-of-thoracic-duct-injuries-anatomy-techniques-and-results
#8
REVIEW
Mohammad Toliyat, Kanwar Singh, Robert C Sibley, Murthy Chamarthy, Sanjeeva P Kalva, Anil K Pillai
Disruption of the thoracic duct can have devastating consequences and be associated with a high morbidity and mortality. Conservative therapies have been attempted to treat chylothorax without much success. Surgical management has traditionally been necessary to provide definitive treatment at the expense of increased morbidity. Lymphatic interventions have recently emerged as a new frontier for interventional radiologists to add value and provide minimally invasive therapies for debilitating conditions. The goal of this manuscript is to review the anatomy of the thoracic duct, describe various percutaneous techniques for accessing the duct, and briefly discuss outcomes as reported in the literature...
January 3, 2017: Clinical Imaging
https://www.readbyqxmd.com/read/28103289/cost-effectiveness-analysis-of-five-competing-strategies-for-the-management-of-multiple-recurrent-community-onset-clostridium-difficile-infection-in-france
#9
Emilie Baro, Tatiana Galperine, Fanette Denies, Damien Lannoy, Xavier Lenne, Pascal Odou, Benoit Guery, Benoit Dervaux
BACKGROUND: Clostridium difficile infection (CDI) is characterized by high rates of recurrence, resulting in substantial health care costs. The aim of this study was to analyze the cost-effectiveness of treatments for the management of second recurrence of community-onset CDI in France. METHODS: We developed a decision-analytic simulation model to compare 5 treatments for the management of second recurrence of community-onset CDI: pulsed-tapered vancomycin, fidaxomicin, fecal microbiota transplantation (FMT) via colonoscopy, FMT via duodenal infusion, and FMT via enema...
2017: PloS One
https://www.readbyqxmd.com/read/28102243/frontiers-in-biology
#10
Orli Bahcall, Angela K Eggleston, Nathalie Le Bot, Ursula Weiss
No abstract text is available yet for this article.
January 18, 2017: Nature
https://www.readbyqxmd.com/read/28101544/tetrathienyl-functionalized-red-and-nir-absorbing-bodipy-dyes-appending-various-peripheral-substituents
#11
Ping Liu, Feng Gao, Lina Zhou, Yu Chen, Zhijian Chen
A series of boron-dipyrromethene dyes (BODIPYs) 4a-g with different thienyl moieties at 2,3,5,6-positions of the BODIPY core were synthesized by the Stille cross-coupling reaction. The new compounds were characterized by (1)H NMR, (13)C NMR, HRMS, and IR spectroscopy. The single crystal structure of compound 4e was obtained by X-ray crystallography. The optical and electrochemical properties of these dyes were studied by UV/Vis spectroscopy, fluorescence spectroscopy, and cyclic voltammetry. The DFT calculation of the frontier molecular orbitals of these dyes corroborates the observed effects of peripheral substituents on the optical and redox properties...
January 19, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28101127/mental-health-and-trauma-in-asylum-seekers-landing-in-sicily-in-2015-a-descriptive-study-of-neglected-invisible-wounds
#12
Anna Crepet, Francesco Rita, Anthony Reid, Wilma Van den Boogaard, Pina Deiana, Gaia Quaranta, Aurelia Barbieri, Francesco Bongiorno, Stefano Di Carlo
BACKGROUND: In 2015, Italy was the second most common point of entry for asylum seekers into Europe after Greece. The vast majority embarked from war-torn Libya; 80,000 people claimed asylum that year. Their medical conditions were assessed on arrival but their mental health needs were not addressed in any way, despite the likelihood of serious trauma before and during migration. Médecins sans Frontières (MSF), in agreement with the Italian Ministry of Health, provided mental health (MH) assessment and care for recently-landed asylum seekers in Sicily...
2017: Conflict and Health
https://www.readbyqxmd.com/read/28100016/validation-of-an-enzyme-immunoassay-and-comparison-of-fecal-cortisol-metabolite-levels-in-black-and-gold-howler-monkeys-alouatta-caraya-inhabiting-fragmented-and-continuous-areas-of-the-humid-chaco-region-argentina
#13
Verónica Inés Cantarelli, Maria Amparo Perez-Rueda, Martin M Kowalewski, Gabriela F Mastromonaco, Marina Flavia Ponzio
In the last years, the study of how environmental stimuli influence the physiology and specifically the endocrinology of an organism became increasingly important, relying mainly on the quantification of glucocorticoids to monitor animal welfare. Most studies investigating cortisol levels in primates were focused on the impact of social stressors; however, a major concern for the conservation of howler monkeys is the increased habitat fragmentation led by the advancement of the agricultural frontier. We compared fecal cortisol metabolite levels (FGCM) in howler monkeys (Alouatta caraya) living in fragmented and continuous forests of the Argentine humid Chaco region, throughout the warm season (spring-summer)...
January 18, 2017: American Journal of Primatology
https://www.readbyqxmd.com/read/28099551/cholesterol-and-prevention-of-atherosclerotic-events-limits-of-a-new-frontier
#14
Luís Eduardo Teixeira de Macedo, Faerstein E
Control of atherosclerotic cardiovascular disease - a highly prevalent condition and one of the main causes of mortality in Brazil and worldwide - is a recurrent subject of great interest for public health. Recently, three new guidelines on dyslipidemia and atherosclerosis prevention have been published. The close release of these important publications is a good opportunity for comparison: the Brazilian model has greater sensitivity, the English model does not work with risk stratification, and the American model may be overestimating the risk...
January 12, 2017: Revista de Saúde Pública
https://www.readbyqxmd.com/read/28099548/teledermatology-in-tijuana-mexico
#15
Megan Brown
The Health Frontiers in Tijuana (HFiT) clinic is a binational partnership between the University of California, San Diego School of Medicine (San Diego, California); the Universidad Autónoma de Baja California School of Medicine (Tijuana, Mexico); and Desayunador Salesiano Padre Chava, a community grassroots organization in Tijuana, Mexico. Health Frontiers in Tijuana provides accessible quality health care for the underserved in Tijuana's Zona Norte. This article is a narrative meant to share my clinical experience as a dermatology resident who worked with HFiT to establish teledermatology services at this clinic...
December 2016: Cutis; Cutaneous Medicine for the Practitioner
https://www.readbyqxmd.com/read/28097216/the-last-frontiers-of-wilderness-tracking-loss-of-intact-forest-landscapes-from-2000-to-2013
#16
Peter Potapov, Matthew C Hansen, Lars Laestadius, Svetlana Turubanova, Alexey Yaroshenko, Christoph Thies, Wynet Smith, Ilona Zhuravleva, Anna Komarova, Susan Minnemeyer, Elena Esipova
An intact forest landscape (IFL) is a seamless mosaic of forest and naturally treeless ecosystems with no remotely detected signs of human activity and a minimum area of 500 km(2). IFLs are critical for stabilizing terrestrial carbon storage, harboring biodiversity, regulating hydrological regimes, and providing other ecosystem functions. Although the remaining IFLs comprise only 20% of tropical forest area, they account for 40% of the total aboveground tropical forest carbon. We show that global IFL extent has been reduced by 7...
January 2017: Science Advances
https://www.readbyqxmd.com/read/28095695/frontier-molecular-orbital-contributions-to-chlorination-versus-hydroxylation-selectivity-in-the-non-heme-iron-halogenase-syrb2
#17
Martin Srnec, Edward I Solomon
The ability of an Fe(IV)=O intermediate in SyrB2 to perform chlorination vs. hydroxylation was computationally evaluated for different substrates that had been studied experimentally. The π-trajectory for H-atom abstraction (Fe(IV)=O oriented perpendicular to the C-H bond of substrate) was found to lead to the S = 2 five-coordinate HO-Fe(III)-Cl complex with the C• of the substrate, π-oriented relative to both the Cl(-) and OH(-) ligands. From this ferric intermediate, hydroxylation is thermodynamically favored, but chlorination is intrinsically more reactive due to the energy splitting between two key redox-active dπ* frontier molecular orbitals (FMOs)...
January 18, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28094502/highly-efficient-full-color-thermally-activated-delayed-fluorescent-organic-light-emitting-diodes-extremely-low-efficiency-roll-off-utilizing-a-host-with-small-singlet-triplet-splitting
#18
Dongdong Zhang, Chongguang Zhao, Yunge Zhang, Xiaozeng Song, Pengcheng Wei, Minghan Cai, Lian Duan
Numerous efforts have been devoted to boost the efficiency of thermally activated delayed fluorescence (TADF) devices; however, strategies to suppress the device efficiency roll-off are still in urgent need. Here, a general and effective approach to suppress the efficiency roll-off of TADF devices is proposed, that is utilizing TADF materials as the hosts for TADF emitters. Bearing small singlet-triplet splitting (ΔEST) with donor and acceptor units, TADF materials as the hosts possess the potential to achieve matched frontier energy levels with the adjacent transporting layers, facilitating balanced charge injection, as well as bipolar charge transport mobilities, beneficial to the balanced charges transportation...
January 17, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28093831/light-controlled-reversible-modulation-of-frontier-molecular-orbital-energy-levels-in-trifluoromethylated-diarylethenes
#19
Martin Herder, Fabian Eisenreich, Aurelio Bonasera, Anna Grafl, Lutz Grubert, Michael Pätzel, Jutta Schwarz, Stefan Hecht
Among bistable photochromic molecules diarylethenes (DAEs) possess the distinct feature that upon photoisomerization they undergo a large modulation of their π-electronic system, accompanied by a marked shift of the HOMO/LUMO energies and hence oxidation/reduction potentials. In order to exploit such photoswitchable systems it is important to precisely adjust the absolute position of their HOMO and LUMO levels and to maximize the extent of the photoinduced shifts of these energy levels. Here, we present a comprehensive study detailing how variation of the substitution pattern of DAE compounds, in particular using strongly electron-accepting and chemically stable trifluoromethyl groups either in the periphery or at the reactive carbon atoms, allows for the precise tuning of frontier molecular orbital levels over a broad energy range and the generation of photoinduced shifts of more than 1 eV...
January 17, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28088901/advanced-structure-activity-relationships-applied-to-mentha-spicata-l-subsp-spicata-essential-oil-compounds-as-ache-and-nmda-ligands-in-comparison-with-donepezil-galantamine-and-memantine-new-approach-in-brain-disorders-pharmacology
#20
Speranta Avram, Mernea Maria, Eyup Bagci, Lucian Hritcu, Livia-Cristina Borcan, Dan Mihailescu
BACKGROUND: Alzheimer's disease (AD) therapy is based on several natural and synthetic compounds that act as acetylcholinesterase (AChE) and N-methyl-D-aspartate receptor (NMDA) ligands that have limited efficiency in relieving AD symptoms. Recent studies show that inhibitors isolated from Mentha spicata L. subsp. spicata are promising for AD therapy. OBJECTIVE: We aimed to identify novel and more potent phytopharmaceutical compounds for AD treatment by taking into account the compounds from Mentha spicata L...
January 13, 2017: CNS & Neurological Disorders Drug Targets
keyword
keyword
68703
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"