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https://www.readbyqxmd.com/read/28738450/the-effect-of-pressure-on-organic-reactions-in-fluids-a-new-theoretical-perspective
#1
REVIEW
Bo Chen, Roald Hoffmann, Roberto Cammi
This Review brings a new perspective to the study of chemical reactions in compressed fluid media. We begin by reviewing the substantial insight gained from more than 50 years of experimental studies on organic reactions in solution under pressure. These led to a proper estimation of the critical roles of volume of activation (Δ(≠) V) and reaction volume (ΔV) in understanding pressure effect on rates and equilibria of organic reactions. A recently developed computational method, the XP-PCM (extreme pressure polarizable continuum model) method, capable of carrying out quantum mechanical calculations of reaction pathways of molecules under pressure, is introduced...
July 24, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28738327/updated-concepts-on-treatment-outcomes-for-obstructive-sleep-apnea
#2
Victor Certal, Robson Capasso
Obstructive sleep apnea is a highly prevalent and poorly understood condition that not only leads to significant individual patient health damage, but carries a large societal cost secondary to excessive healthcare utilization, motor-vehicle accidents, and work absenteeism. While a significant fund of knowledge about its damaging effects on the cardiovascular system and neural pathways has been gathered over the past few decades, the translation to direct patient care still presents numerous challenges. With the exception of clear issues such as socially unacceptable snoring and breathing irregularities, the exact cause and effect relationship between airway narrowing, hypoxemia, and sleep fragmentation with subjective sleep-related complaints and neurocognitive symptoms is less clear...
2017: Advances in Oto-rhino-laryngology
https://www.readbyqxmd.com/read/28738201/interbasin-water-transfer-for-the-rehabilitation-of-a-transboundary-mediterranean-stream-an-economic-analysis
#3
Ariel Akron, Andrea Ghermandi, Tamar Dayan, Yaron Hershkovitz
Global demand for freshwater is increasing as human population grows, climate changes and water resources are being overexploited. Consequently, many freshwater ecosystems, particularly in water-stressed regions, are severely degraded. Here we present a unique case of an Interbasin Water Transfer (IWT) project aiming at ecosystem rehabilitation and recreation enhancement of an intermittent transboundary stream (Ayun, Israel). For the past century, water diversion at the Lebanese side had led to flow secession in the Israeli Ayun Nature Reserve during the dry season (May-November)...
July 21, 2017: Journal of Environmental Management
https://www.readbyqxmd.com/read/28738200/global-distribution-of-dissolved-organic-matter-along-the-aquatic-continuum-across-rivers-lakes-and-oceans
#4
Philippe Massicotte, Eero Asmala, Colin Stedmon, Stiig Markager
Based on an extensive literature survey containing more than 12,000 paired measurements of dissolved organic carbon (DOC) concentrations and absorption of chromophoric dissolved organic matter (CDOM) distributed over four continents and seven oceans, we described the global distribution and transformation of dissolved organic matter (DOM) along the aquatic continuum across rivers and lakes to oceans. A strong log-linear relationship (R(2)=0.92) between DOC concentration and CDOM absorption at 350nm was observed at a global scale, but was found to be ecosystem-dependent at local and regional scales...
July 21, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28738136/key-word-signing-usage-of-adults-with-intellectual-disabilities-influence-of-communication-partners-sign-usage-and-responsivity
#5
Ellen Rombouts, Bea Maes, Inge Zink
Purpose: In services for adults with intellectual disabilities, various staff members may have different key word signing (KWS) skills and conversational style. Little is known about how these clients use KWS with different staff members. Therefore, we observed staff-client conversations and examined how clients' KWS usage was shaped by staff members' KWS usage and conversational style. Method: Three 10-min dyadic conversations between an adult with moderate or severe intellectual disabilities (N = 15) and three familiar staff members were filmed and transcribed...
July 24, 2017: American Journal of Speech-language Pathology
https://www.readbyqxmd.com/read/28737787/coming-full-circle-constructing-a-gd6-wheel-dimer-by-dimer-and-the-importance-of-spin-topology
#6
Thomas N Hooper, Stuart K Langley, Silvia Gómez-Coca, Giulia Lorusso, Eliseo Ruiz, Keith S Murray, Marco Evangelisti, Euan K Brechin
The syntheses, structures, magnetic and thermodynamic properties of three related triethanolamine-based Gd(III) complexes are described. The smallest, a dimer ([Gd2]), can be viewed as the subunit from which the two larger complexes, a linear tetramer ([Gd2]2) and a cyclic hexamer ([Gd2]3), are composed by further deprotonation of the triethanolamine ligand. In all cases, nearest neighbour magnetic ions are weakly correlated by antiferromagnetic isotropic exchange, whose strength does not change significantly from one complex to another; J ranging from -0...
July 24, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28737167/polymer-models-with-optimal-good-solvent-behavior
#7
Giuseppe D'Adamo, Andrea Pelissetto
We consider three different continuum polymer models, that all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model chains are obtained by concatenating hard spherocylinders of height b and diameter rb (we call them thick self-avoiding chains). The other two models are generalizations of the tangent hard-sphere and of the Kremer-Grest models. We show that, for a specific value r^*, all models show an optimal behavior: asymptotic long-chain behavior is observed for relatively short chains...
July 24, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28736394/changing-forms-of-hiv-related-stigma-along-the-hiv-care-and-treatment-continuum-in-sub-saharan-africa-a-temporal-analysis
#8
O Bonnington, J Wamoyi, W Ddaaki, D Bukenya, K Ondenge, M Skovdal, J Renju, M Moshabela, A Wringe
OBJECTIVES: Stigma remains pervasive for people living with HIV (PLHIV) in sub-Saharan Africa, undermining care engagement. Using everyday, biographical and epochal temporalities, we explored the manifestation of stigma at different stages of the HIV care continuum in seven health and demographic surveillance sites in Eastern and Southern Africa. METHODS: Between 2015 and 2016, we conducted qualitative in-depth interviews with 264 PLHIV, 54 health providers and 48 family members of people who had died from HIV...
July 2017: Sexually Transmitted Infections
https://www.readbyqxmd.com/read/28736335/tfos-dews-ii-definition-and-classification-report
#9
REVIEW
Jennifer P Craig, Kelly K Nichols, Esen K Akpek, Barbara Caffery, Harminder S Dua, Choun-Ki Joo, Zuguo Liu, J Daniel Nelson, Jason J Nichols, Kazuo Tsubota, Fiona Stapleton
The goals of the TFOS DEWS II Definition and Classification Subcommittee were to create an evidence-based definition and a contemporary classification system for dry eye disease (DED). The new definition recognizes the multifactorial nature of dry eye as a disease where loss of homeostasis of the tear film is the central pathophysiological concept. Ocular symptoms, as a broader term that encompasses reports of discomfort or visual disturbance, feature in the definition and the key etiologies of tear film instability, hyperosmolarity, and ocular surface inflammation and damage were determined to be important for inclusion in the definition...
July 2017: Ocular Surface
https://www.readbyqxmd.com/read/28735723/a-rate-independent-continuum-model-for-bone-tissue-with-interaction-of-compressive-and-tensile-micro-damage
#10
Philippe K Zysset, Uwe Wolfram
Low bone strength is a major risk factor for osteoporotic fractures and is only partially determined by clinical densitometry. Accumulated micro-damage induces residual strains, degrades elastic modulus and reduces bone strength independently of bone mineral density. Histologically, overloading of bone in compression and tension leads to distinct crack size, distribution and orientation which interact during combined loading scenarios. Statistics of rheological models can describe this process and reproduce experimental stress-strain curves with an unprecedented realism, but are computationally expensive and therefore difficult to generalize to 3D...
July 8, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/28735498/theoretical-insight-into-the-solvent-effect-of-h2o-and-formamide-on-the-cooperativity-effect-in-hmx-complex
#11
Rui-Hong Meng, Xiong Cao, Shuang-Qi Hu, Li-Shuang Hu
The cooperativity effects of the H-bonding interactions in HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane)∙∙∙HMX∙∙∙FA (formamide), HMX∙∙∙HMX∙∙∙H2O and HMX∙∙∙HMX∙∙∙HMX complexes involving the chair and chair-chair HMX are investigated by using the ONIOM2 (CAM-B3LYP/6-31++G(d,p):PM3) and ONIOM2 (M06-2X/6-31++G(d,p):PM3) methods. The solvent effect of FA or H2O on the cooperativity effect in HMX∙∙∙HMX∙∙∙HMX are evaluated by the integral equation formalism polarized continuum model...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28734516/pediatric-human-immunodeficiency-virus-continuum-of-care-a-concise-review-of-evidence-based-practice
#12
REVIEW
Megan E Gray, Phillip Nieburg, Rebecca Dillingham
Children and adolescents living with human immunodeficiency virus (HIV) represent a population that requires a unique approach to HIV care. Prevention, testing, initiation of antiretroviral therapy (ART), and retention and engagement in care are critical steps. Each step requires providers to address age-specific barriers, so that successful and prolonged viral suppression can occur. Adherence to ART, disclosure of HIV-positive status, and stigma are examples of struggles faced by youth, their families, and health care providers...
August 2017: Pediatric Clinics of North America
https://www.readbyqxmd.com/read/28734282/cluster-expansion-of-the-solvation-free-energy-difference-systematic-improvements-in-the-solvation-of-single-ions
#13
Josefredo R Pliego
The cluster expansion method has been used in the imperfect gas theory for several decades. This paper proposes a cluster expansion of the solvation free energy difference. This difference, which results from a change in the solute-solvent potential energy, can be written as the logarithm of a finite series. Similar to the Mayer function, the terms in the series are related to configurational integrals, which makes the integrand relevant only for configurations of the solvent molecules close to the solute. In addition, the terms involve interaction of solute with one, two, and so on solvent molecules...
July 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28733882/prediction-of-the-lowest-charge-transfer-excited-state-energy-at-the-donor-acceptor-interface-in-a-condensed-phase-using-ground-state-dft-calculations-with-generalized-kohn-sham-functionals
#14
Shaohui Zheng, Mengyue Xiao, Yongping Tian, Xue Chen
Knowledge of the charge (electron) transfer process at the donor-acceptor interface is required to understand the working mechanisms of different organic photovoltaic materials. Investigating the lowest charge-transfer state in organic donor-acceptor solar cells is important as it allows the destruction/formation of excitons and polarons to be studied, and is directly related to the open circuit voltage. By performing low-cost and feasible calculations of ground-state electronic structures using the Mulliken rule as well as the optimally tuned range-separated hybrid (OTRSH) density functional and a regular long-range corrected functional, the lowest charge-transfer (CT) state energies of a series of dimers containing functionalized anthracene (the donor) and tetracyanoethylene (the acceptor) were obtained...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28732037/integrating-cervical-cancer-with-hiv-healthcare-services-a-systematic-review
#15
Louise Sigfrid, Georgina Murphy, Victoria Haldane, Fiona Leh Hoon Chuah, Suan Ee Ong, Francisco Cervero-Liceras, Nicola Watt, Alconada Alvaro, Laura Otero-Garcia, Dina Balabanova, Sue Hogarth, Will Maimaris, Kent Buse, Martin Mckee, Peter Piot, Pablo Perel, Helena Legido-Quigley
BACKGROUND: Cervical cancer is a major public health problem. Even though readily preventable, it is the fourth leading cause of death in women globally. Women living with HIV are at increased risk of invasive cervical cancer, highlighting the need for access to screening and treatment for this population. Integration of services has been proposed as an effective way of improving access to cervical cancer screening especially in areas of high HIV prevalence as well as lower resourced settings...
2017: PloS One
https://www.readbyqxmd.com/read/28731768/self-organized-velocity-pulses-of-dense-colloidal-suspensions-in-microchannel-flow
#16
Philipp Kanehl, Holger Stark
We present a numerical study of dense colloidal suspensions in a pressure-driven microchannel flow in two dimensions. The colloids are modeled as elastic and frictional spheres suspended in a Newtonian fluid, which we simulate using the method of multiparticle collision dynamics. The model reproduces periodic velocity and density pulse trains, traveling upstream in the microchannel, which are found in experiments conducted by Isa et al. [Phys. Rev. Lett. 102, 058302 (2009)PRLTAO0031-900710.1103/PhysRevLett...
July 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28731214/from-positive-psychology-to-psychopathology-the-continuum-of-attention-deficit-hyperactivity-disorder
#17
Corina U Greven, Jan K Buitelaar, Giovanni A Salum
BACKGROUND: Integration of positive psychology into clinical research and treatment has been slow. This integration can be facilitated by the conceptualisation of mental disorders as the high, symptomatic extreme of continuous normal variation. This assumes that there is also a low, positive extreme, which is, however, unchartered territory. This study aims to examine how well current measures capture the low extreme of mental disorder continua, using attention-deficit hyperactivity disorder (ADHD) as an example...
July 21, 2017: Journal of Child Psychology and Psychiatry, and Allied Disciplines
https://www.readbyqxmd.com/read/28730355/charge-transport-in-dna-model-with-vibrational-and-rotational-coupling-motions
#18
H Ngoubi, G H Ben-Bolie, T C Kofané
The dynamics of the Peyrard-Bishop model for vibrational motion of DNA dynamics, which has been extended by taking into account the rotational motion for the nucleotides (Silva et al., J. Biol. Phys. 34, 511-519, 2018) is studied. We report on the presence of the modulational instability (MI) of a plane wave for charge migration in DNA and the generation of soliton-like excitations in DNA nucleotides. We show that the original differential-difference equation for the DNA dynamics can be reduced in the continuum approximation to a set of three coupled nonlinear equations...
July 20, 2017: Journal of Biological Physics
https://www.readbyqxmd.com/read/28729520/challenges-and-emerging-opportunities-for-the-hiv-prevention-treatment-and-care-cascade-in-men-who-have-sex-with-men-in-asia-pacific
#19
REVIEW
Frits van Griensven, Thomas E Guadamuz, Jan Willem de Lind van Wijngaarden, Nittaya Phanuphak, Sunil Suhas Solomon, Ying-Ru Lo
In Asia Pacific, most countries have expanded HIV treatment guidelines to include all those with HIV infection and adopted antiretroviral treatment for prevention (TFP) as a blanket strategy for HIV control. Although the overall epidemic development associated with this focus is positive, the HIV epidemic in men who have sex with men (MSM) is continuing unperturbed without any signs of decline or reversal. This raises doubt about whether TFP as a blanket HIV prevention policy is the right approach. This paper reviews currently available biomedical HIV prevention strategies, national HIV prevention policies and guidelines from selected countries and published data on the HIV cascade in MSM...
August 2017: Sexually Transmitted Infections
https://www.readbyqxmd.com/read/28729161/the-neural-basis-of-precise-visual-short-term-memory-for-complex-recognisable-objects
#20
Michele Veldsman, Daniel J Mitchell, Rhodri Cusack
Recent evidence suggests that visual short-term memory (VSTM) capacity estimated using simple objects, such as colours and oriented bars, may not generalise well to more naturalistic stimuli. More visual detail can be stored in VSTM when complex, recognisable objects are maintained compared to simple objects. It is not yet known if it is recognisability that enhances memory precision, nor whether maintenance of recognisable objects is achieved with the same network of brain regions supporting maintenance of simple objects...
July 17, 2017: NeuroImage
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