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https://www.readbyqxmd.com/read/29782801/epr-evidence-of-liquid-water-in-ice-an-intrinsic-property-of-water-or-a-self-confinement-effect
#1
Muthulakshmi Thangswamy, Priya Maheshwari, Dhanadeep Dutta, Vinayak G Rane, Pradeep Kumar Pujari
Liquid water (LW) existence in pure ice below 273 K has been a controversial aspect primarily because of the lack of experimental evidences. Recently, electron paramagnetic resonance (EPR) has been used to study deeply supercooled water in a rapidly-frozen polycrystalline ice. The same technique can also be used to probe the presence of LW in polycrystalline ice that has formed through a more conventional, slow cooling one. In this context, the present study aims to emphasize that in case of an external probe involving techniques such as EPR, the results are influenced by the binary phase (BP) diagram of the probe-water system, which also predicts the existence of LW domains in ice, upto the eutectic point...
May 21, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29782305/tatami-mats-a-source-of-pitted-keratolysis-in-a-martial-arts-athlete
#2
Anamaria Balić, Zrinka Bukvić Mokos, Branka Marinović, Daniela Ledić Drvar
Dear Editor, Pitted keratolysis (PK), also known as keratosis plantaris sulcatum, is a non-inflammatory, bacterial, superficial cutaneous infection, characterized by many discrete superficial crateriform ''pits'' and erosions in the thickly keratinized skin of the weight-bearing regions of the soles of the feet (1). The disease often goes unnoticed by the patient, but when it is noticed it is because of the unbearable malodor and hyperhidrosis of the feet, which are socially unacceptable and cause great anxiety to many of the patients...
April 2018: Acta Dermatovenerologica Croatica: ADC
https://www.readbyqxmd.com/read/29781968/infusing-social-justice-in-undergraduate-nursing-education-fostering-praxis-through-simulation
#3
Robyn Caldwell, Courtney Cochran
SCOPE OF THE PROBLEM: Forensic clinical experiences are often inconsistent in undergraduate nursing education. Nursing students are not included in the process of forensic evidence collection, often because of the sensitive nature of the situation. Unfortunately, nursing students are forced to rely on theoretical knowledge provided by the nurse educator to understand the complexities of forensic nursing care. Nursing students must be able to identify and provide appropriate nursing care for individuals in all forensic situations...
April 2018: Journal of Forensic Nursing
https://www.readbyqxmd.com/read/29781916/the-role-of-family-of-origin-in-current-lifestyle-choices-a-qualitative-secondary-data-analysis-of-interracial-and-same-race-couples
#4
Ana Laura Fonseca, Jill Koyama, Emily A Butler
Many Americans are in poor health. This is acute for racial/ethnic minorities compared with the Non-Hispanic white population. A grounded theory approach was used to analyze semistructured qualitative interviews to identify perceptions of family-of-origin lifestyle choices in same-race and interracial couples. Several central themes emerged from the data including influence of family-of-origin eating patterns, lack of family-of-origin importance for physical activity, and romantic partner influence in eating and exercise...
July 2018: Family & Community Health
https://www.readbyqxmd.com/read/29781663/assessing-the-implicit-theory-of-willpower-for-strenuous-mental-activities-scale-multigroup-across-gender-and-cross-cultural-measurement-invariance-and-convergent-and-divergent-validity
#5
Christopher M Napolitano, Veronika Job
Why do some people struggle with self-control (colloquially called willpower) whereas others are able to sustain it during challenging circumstances? Recent research showed that a person's implicit theories of willpower-whether they think self-control capacity is a limited or nonlimited resource-predict sustained self-control on laboratory tasks and on goal-related outcomes in everyday life. The present research tests the Implicit Theory of Willpower for Strenuous Mental Activities Scale (or ITW-M) Scale for measurement invariance across samples and gender within each culture, and two cultural contexts (the U...
May 21, 2018: Psychological Assessment
https://www.readbyqxmd.com/read/29781631/critical-consciousness-and-intent-to-persist-through-college-in-daca-and-u-s-citizen-students-the-role-of-immigration-status-race-and-ethnicity
#6
Germán A Cadenas, Bianca L Bernstein, Terence J G Tracey
OBJECTIVES: We used the model of critical consciousness (CC; Freire, 1973) to examine college persistence in a sample of Hispanic Deferred Action for Childhood Arrivals (DACA) college students in contrast to Hispanic and non-Hispanic White U.S. citizens. To do this, we looked to social cognitive career theory (Lent, Brown, & Hackett, 1994) to clarify the development of CC and its association with college persistence in students facing marginalization due to immigration status and racial/ethnic identity...
May 21, 2018: Cultural Diversity & Ethnic Minority Psychology
https://www.readbyqxmd.com/read/29781605/arylruthenium-iii-porphyrin-catalyzed-c-h-oxidation-and-epoxidation-at-room-temperature-and-ru-v-por-o-ph-intermediate-by-spectroscopic-analysis-and-density-functional-theory-calculations
#7
Ka-Pan Shing, Bei Cao, Yungen Liu, Hung Kay Lee, Ming-De Li, David Lee Phillips, Xiao-Yong Chang, Chi-Ming Che
The development of highly active and selective metal catalysts for efficient oxidation of hydrocarbons and identification of the reactive intermediates in the oxidation catalysis are long-standing challenges. In the rapid hydrocarbon oxidation catalyzed by ruthenium(IV) and -(III) porphyrins, the putative Ru(V)-oxo intermediates remain elusive. Herein we report that arylruthenium(III) porphyrins are highly active catalysts for hydrocarbon oxidation. Using catalyst [RuIII (TDCPP)(Ph)(OEt2 )] (H2 TDCPP = 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin), the oxidation of C-H bonds of various hydrocarbons with oxidant m-CPBA at room temperature gave alcohols/ketones in up to 99% yield within 1 h; use of [ n Bu4 N]IO4 as a mild alternative oxidant avoided formation of lactone from cyclic ketone in C-H oxidation, and the catalytic epoxidation with up to 99% yield and high selectivity (no aldehydes as side product) was accomplished within 5 min...
May 21, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29781579/poverty-neighborhoods-persistent-stress-and-sle-outcomes-a-qualitative-study-of-the-patients-perspective
#8
Edward Yelin, Laura Trupin, Jared Bunde, Jinoos Yazdany
OBJECTIVE: To obtain the perspective of individuals with SLE about the role of poverty, neighborhood, and chronic stress in SLE outcomes. METHODS: 723 persons with SLE were followed from 2003-2015 through annual structured interviews as part of the Lupus Outcomes Study to establish the effect of combinations of poverty, persistent poverty, living in an area of concentrated poverty, access to health care, and chronic stress on accumulated damage. We sampled 28 from the 723 on the basis of household income, geography, and outcomes in their last interview, and administered qualitative interviews to explore their perspectives on these factors on outcomes...
May 21, 2018: Arthritis Care & Research
https://www.readbyqxmd.com/read/29781267/highly-regular-uniform-k-3-scf-6-mn-4-phosphors-facile-synthesis-microstructures-photo-luminescence-properties-and-application-in-led-devices
#9
Hong Ming, Shuifu Liu, Lili Liu, Jiaqing Peng, Junxiang Fu, Fu Du, Xinyu Ye
A new generation of red phosphors of complex fluoride matrices activated with Mn4+ , has gained a broad interest in getting high color rendering index (CRI), low correlated color temperature (CCT) of white light-emitting diodes(WLEDs). However, besides their instability towards moisture, the extremely irregular and nonuniform morphologies of these phosphors have limited their practical industry applications. In the present study, a novel type of K3 ScF6 :Mn4+ red phosphor with highly regular, uniform and high color purity was synthesized successfully via a facile two-step co-precipitation method under mild conditions...
May 21, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29781233/fit-guts-reduced-models-online-from-theory-to-practice
#10
Virgile Baudrot, Philippe Veber, Guillaume Gence, Sandrine Charles
Mechanistic modelling approaches, as the toxicokinetic-toxicodynamic (TKTD) framework, are promoted by international institutions as EFSA and OECD to assess the environmental risk of chemical products generated by human activities. TKTD models can encompass a large set of mechanisms describing the kinetics of compounds inside organisms (e.g. uptake and elimination) and their effect at the level of individuals (e.g. damage accrual, recovery and death mechanism). Compared to classical dose-response models, TKTD approaches have many advantages as taking into account temporal aspects of exposure and toxicity, considering data-points all along the experiment and not only at the end, and making predictions for untested situations as realistic exposure scenarios...
May 20, 2018: Integrated Environmental Assessment and Management
https://www.readbyqxmd.com/read/29780993/ideal-reversible-polymer-networks
#11
German Alberto Parada, Xuanhe Zhao
In this article we introduce the concept of ideal reversible polymer networks, which have well-controlled polymer network structures similar to ideal covalent polymer networks but exhibit viscoelastic behaviors due to the presence of reversible crosslinks. We first present a theory to describe the mechanical properties of ideal reversible polymer networks. Because short polymer chains of equal length are used to construct the network, there are no chain entanglements and the chains' Rouse relaxation time is much shorter than the reversible crosslinks' characteristic time...
May 21, 2018: Soft Matter
https://www.readbyqxmd.com/read/29780800/redox-reaction-triggered-nanomotors-based-on-soft-oxometalates-with-high-and-sustained-motility
#12
Apabrita Mallick, Abhrajit Laskar, R Adhikari, Soumyajit Roy
The recent interest in self-propulsion raises an immediate challenge in facile and single-step synthesis of active particles. Here, we address this challenge and synthesize soft oxometalate nanomotors that translate ballistically in water using the energy released in a redox reaction of hydrazine fuel with the soft-oxometalates. Our motors reach a maximum speed of 370 body lengths per second and remain motile over a period of approximately 3 days. We report measurements of the speed of a single motor as a function of the concentration of hydrazine...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29780524/identification-of-pt-based-catalysts-for-propane-dehydrogenation-via-a-probability-analysis
#13
Shenjun Zha, Guodong Sun, Tengfang Wu, Jiubing Zhao, Zhi-Jian Zhao, Jinlong Gong
The intrinsic errors due to functionals are always a concern on the reliability of the predicted catalytic performance by density functional theory. This paper describes a probability-based computational screening study, which has successfully identified an optimal bimetallic alloy (Pt3 In) for the propane dehydrogenation reaction (PDH). Considering DFT uncertainty, Pt3 In was found to have an activity comparable to that of pure Pt and Pt3 Sn. Meanwhile, Pt3 In shows a considerable improvement in the propylene selectivity compared with pure Pt...
April 28, 2018: Chemical Science
https://www.readbyqxmd.com/read/29780519/molecular-mechanism-of-lytic-polysaccharide-monooxygenases
#14
Erik Donovan Hedegård, Ulf Ryde
The lytic polysaccharide monooxygenases (LPMOs) are copper metalloenzymes that can enhance polysaccharide depolymerization through an oxidative mechanism and hence boost generation of biofuel from e.g. cellulose. By employing density functional theory in a combination of quantum mechanics and molecular mechanics (QM/MM), we report a complete description of the molecular mechanism of LPMOs. The QM/MM scheme allows us to describe all reaction steps with a detailed protein environment and we show that this is necessary...
April 21, 2018: Chemical Science
https://www.readbyqxmd.com/read/29780472/on-the-role-of-ce-in-co-2-adsorption-and-activation-over-lanthanum-species
#15
Xinyu Li, Zhi-Jian Zhao, Liang Zeng, Jiubing Zhao, Hao Tian, Sai Chen, Kang Li, Sier Sang, Jinlong Gong
La2 O3 exhibits good performance for various catalytic applications, such as oxidative coupling of methane (OCM) and dry reforming of methane (DRM), during which coke formation may lead to the deactivation of catalysts. Typically, the reaction between CO2 adsorbed on La2 O3 and coke is the rate-determining step of the coke elimination process. This paper describes the influence of Ce addition on the CO2 adsorption and activation over La2 O3 . Combined with in situ and ex situ characterization and density functional theory (DFT) calculation, we show that Ce addition promotes the formation of bidentate carbonate on La2 O3 via tuning CO2 adsorption energy...
April 14, 2018: Chemical Science
https://www.readbyqxmd.com/read/29780343/-seeing-the-dark-grounding-phenomenal-transparency-and-opacity-in-precision-estimation-for-active-inference
#16
Jakub Limanowski, Karl Friston
One of the central claims of the Self-model Theory of Subjectivity is that the experience of being someone - even in a minimal form - arises through a transparent phenomenal self-model, which itself can in principle be reduced to brain processes. Here, we consider whether it is possible to distinguish between phenomenally transparent and opaque states in terms of active inference. We propose a relationship of phenomenal opacity to expected uncertainty or precision; i.e., the capacity for introspective attention and implicit mental action...
2018: Frontiers in Psychology
https://www.readbyqxmd.com/read/29780334/an-innovative-framework-for-delivering-psychotherapy-to-patients-with-treatment-resistant-posttraumatic-stress-disorder-rationale-for-interactive-motion-assisted-therapy
#17
Marieke J van Gelderen, Mirjam J Nijdam, Eric Vermetten
Despite an array of evidence-based psychological treatments for patients with a posttraumatic stress disorder (PTSD), a majority of patients do not fully benefit from the potential of these therapies. In veterans with PTSD, up to two-thirds retain their diagnosis after psychotherapy and often their disorder is treatment-resistant, which calls for improvement of therapeutic approaches for this population. One of the factors hypothesized to underlie low response in PTSD treatment is high behavioral and cognitive avoidance to traumatic reminders...
2018: Frontiers in Psychiatry
https://www.readbyqxmd.com/read/29779008/intervention-planning-for-the-reduce-maintenance-intervention-a-digital-intervention-to-reduce-reulceration-risk-among-patients-with-a-history-of-diabetic-foot-ulcers
#18
Kate Greenwell, Katy Sivyer, Kavita Vedhara, Lucy Yardley, Frances Game, Trudie Chalder, Gayle Richards, Nikki Drake, Katie Gray, John Weinman, Katherine Bradbury
OBJECTIVES: To develop a comprehensive intervention plan for the REDUCE maintenance intervention to support people who have had diabetic foot ulcers (DFUs) to sustain behaviours that reduce reulceration risk. METHODS: Theory-based, evidence-based and person-based approaches to intervention development were used. In phase I of intervention planning, evidence was collated from a scoping review of the literature and qualitative interviews with patients who have had DFUs (n=20)...
May 18, 2018: BMJ Open
https://www.readbyqxmd.com/read/29778896/formation-and-transformation-of-calcium-phosphate-phases-under-biologically-relevant-conditions-experiments-and-modelling
#19
Agnese Carino, Christian Ludwig, Antonio Cervellino, Elisabeth Müller, Andrea Testino
The experimental data on calcium phosphates formation were collected in dilute solution at constant pH (7.40) and temperature (37.0 °C) at different levels of ionic strength (IS). The evolution of the solid phase formation is described in detail using a thermodynamic-kinetic model. The thermodynamic model takes into account all relevant chemical species as well as Posner's clusters; the kinetic model, based on the discretized population balance approach, accounts for the solid formation from solution. The experimental data are consistent with an initial formation of dicalcium phosphate dihydrate (DCPD, brushite), which dominates the nucleation rate, and its rapid transformation into octacalcium phosphate (OCP) or hydroxyapatite (HA), which dominates the growth rate...
May 17, 2018: Acta Biomaterialia
https://www.readbyqxmd.com/read/29778702/theoretical-studies-on-electroluminescent-mechanism-of-a-series-of-thermally-activated-delayed-fluorescence-emitters-possessing-asymmetric-triazine-cored-triads
#20
Jinglai Zhang, Huijuan Yuan, Songyan Feng, Keke Wen, Xugeng Guo
A series of thermally activated delayed fluorescence (TADF) emitters using asymmetric-triazine-cored triad as the electron-accepting unit have been investigated theoretically. Based on two experimentally reported TADF molecules (TPXZ-as-TAZ and oDPXZ-as-TAZ), two new molecules (mDPXZ-as-TAZ and pDPXZ-as-TAZ) have been designed to explore the isomeric effect on their TADF properties. The present results reveal that the absorption and emission spectra calculated by the time-dependent density functional theory (TD-DFT) method at the M06-2X level are match well the available experimental findings, and mDPXZ-as-TAZ and pDPXZ-as-TAZ are found to exhibit the same yellow emission as their analogue oDPXZ-as-TAZ...
May 17, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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