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https://www.readbyqxmd.com/read/29141421/accuracy-of-trajectory-surface-hopping-methods-test-for-a-two-dimensional-model-of-the-photodissociation-of-phenol
#1
Weiwei Xie, Wolfgang Domcke
Trajectory surface hopping (TSH) methods have been widely used for the study of nonadiabatic molecular dynamics. In the present work, the accuracy of two TSH algorithms, Tully's fewest switching algorithm and an algorithm based on the Landau-Zener formula, has been critically evaluated in comparison with exact nonadiabatic quantum dynamics calculations for a model of the photoinduced hydrogen-atom dissociation reaction in phenol. The model consists of three electronic states (S0, (1)ππ(*), (1)πσ(*)) and two nuclear degrees of freedom (the OH stretching coordinate and CCOH dihedral angle) and displays two successive conical intersections ((1)ππ(*)/(1)πσ(*) and (1)πσ(*)/S0)...
November 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29125546/hereditary-nephrogenic-diabetes-insipidus-pathophysiology-and-possible-treatment-an-update
#2
REVIEW
Serena Milano, Monica Carmosino, Andrea Gerbino, Maria Svelto, Giuseppe Procino
Under physiological conditions, excessive loss of water through the urine is prevented by the release of the antidiuretic hormone arginine-vasopressin (AVP) from the posterior pituitary. In the kidney, AVP elicits a number of cellular responses, which converge on increasing the osmotic reabsorption of water in the collecting duct. One of the key events triggered by the binding of AVP to its type-2 receptor (AVPR2) is the exocytosis of the water channel aquaporin 2 (AQP2) at the apical membrane the principal cells of the collecting duct...
November 10, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29103378/estimating-local-costs-associated-with-clostridium-difficile-infection-using-machine-learning-and-electronic-medical-records
#3
Theodore R Pak, Kieran I Chacko, Timothy O'Donnell, Shirish S Huprikar, Harm van Bakel, Andrew Kasarskis, Erick R Scott
BACKGROUND Reported per-patient costs of Clostridium difficile infection (CDI) vary by 2 orders of magnitude among different hospitals, implying that infection control officers need precise, local analyses to guide rational decision making between interventions. OBJECTIVE We sought to comprehensively estimate changes in length of stay (LOS) attributable to CDI at a single urban tertiary-care facility using only data automatically extractable from the electronic medical record (EMR). METHODS We performed a retrospective cohort study of 171,938 visits spanning a 7-year period...
November 6, 2017: Infection Control and Hospital Epidemiology
https://www.readbyqxmd.com/read/29097161/a-behavioral-and-pharmacological-characterization-of-palatable-diet-alternation-in-mice
#4
Catherine F Moore, Gabrielle S Schlain, Samantha Mancino, Valentina Sabino, Pietro Cottone
Obesity and eating disorders are widespread in Western societies. Both the increased availability of highly palatable foods and dieting are major risk factors contributing to the epidemic of disorders of feeding. The purpose of this study was to characterize an animal model of maladaptive feeding induced by intermittent access to a palatable diet alternation in mice. In this study, mice were either continuously provided with standard chow food (Chow/Chow), or provided with standard chow for 2days and a high-sucrose, palatable food for 1day (Chow/Palatable)...
October 31, 2017: Pharmacology, Biochemistry, and Behavior
https://www.readbyqxmd.com/read/29068074/the-anterior-process-of-the-malleus-in-extant-lagomorpha-mammalia
#5
Wolfgang Maier, Adrian Tröscher, Irina Ruf
The anterior anchoring of the malleus of 30 extant species of Lagomorpha (rabbits, hares, pikas) has been studied on the basis of histological serial sections and µCT-scans. It is shown that former studies of Oryctolagus, Lepus, and Ochotona are incomplete, because the rostral part of the processus anterior of the malleus is always lacking due to damage of this extremely delicate structure. Our study shows that in perinatal stages of Leporidae the praearticulare develops a prominent processus internus that fits into a groove at the ventral side of the tegmen tympani; this "tongue and groove"-arrangement may act as a hinge...
October 25, 2017: Journal of Morphology
https://www.readbyqxmd.com/read/29057579/orbitofrontal-gray-matter-deficits-as-marker-of-internet-gaming-disorder-converging-evidence-from-a-cross-sectional-and-prospective-longitudinal-design
#6
Feng Zhou, Christian Montag, Rayna Sariyska, Bernd Lachmann, Martin Reuter, Bernd Weber, Peter Trautner, Keith M Kendrick, Sebastian Markett, Benjamin Becker
Internet gaming disorder represents a growing health issue. Core symptoms include unsuccessful attempts to control the addictive patterns of behavior and continued use despite negative consequences indicating a loss of regulatory control. Previous studies revealed brain structural deficits in prefrontal regions subserving regulatory control in individuals with excessive Internet use. However, because of the cross-sectional nature of these studies, it remains unknown whether the observed brain structural deficits preceded the onset of excessive Internet use...
October 23, 2017: Addiction Biology
https://www.readbyqxmd.com/read/29050962/han-s-model-parameters-for-microalgae-grown-under-intermittent-illumination-determined-using-particle-swarm-optimization
#7
Victor Pozzobon, Patrick Perre
This work provides a model and the associated set of parameters allowing for microalgae population growth computation under intermittent lightning. Han's model is coupled with a simple microalgae growth model to yield a relationship between illumination and population growth. The model parameters were obtained by fitting a dataset available in literature using Particle Swarm Optimization method. In their work, authors grew microalgae in excess of nutrients under flashing conditions. Light/dark cycles used for these experimentations are quite close to those found in photobioreactor, i...
October 16, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/29035697/subterranean-mammals-show-convergent-regression-in-ocular-genes-and-enhancers-along-with-adaptation-to-tunneling
#8
Raghavendran Partha, Bharesh K Chauhan, Zelia Ferreira, Joseph D Robinson, Kira Lathrop, Ken K Nischal, Maria Chikina, Nathan L Clark
The underground environment imposes unique demands on life that have led subterranean species to evolve specialized traits, many of which evolved convergently. We studied convergence in evolutionary rate in subterranean mammals in order to associate phenotypic evolution with specific genetic regions. We identified a strong excess of vision- and skin-related genes that changed at accelerated rates in the subterranean environment due to relaxed constraint and adaptive evolution. We also demonstrate that ocular-specific transcriptional enhancers were convergently accelerated, whereas enhancers active outside the eye were not...
October 16, 2017: ELife
https://www.readbyqxmd.com/read/28991347/medial-rectus-bridge-faden-operations-in-accommodative-and-partially-accommodative-esotropia-with-convergence-excess
#9
Asli Inal, Osman Bulut Ocak, Ebru Demet Aygit, Selcen Celik, Gamze Ozturk Karabulut, Berkay Inal, Muhittin Taskapili, Birsen Gokyigit
PURPOSE: To evaluate the results of the bilateral bridge Faden operation on the medial rectus muscles with and without recession in the treatment of accommodative and partially accommodative esotropia with convergence excess. METHODS: A retrospective analysis was performed on the medical records of 103 patients who underwent the bridge Faden operation on both medial rectus muscles, with or without recession, for the treatment of accommodative and partially accommodative esotropia with convergence excess...
November 1, 2017: Journal of Pediatric Ophthalmology and Strabismus
https://www.readbyqxmd.com/read/28959717/looking-through-the-patients-eyes-measuring-patient-satisfaction-in-a-public-hospital
#10
Elisa Carretta, Trevor G Bond, Giuseppe Cappiello, Maria Pia Fantini
OBJECTIVE: Patient satisfaction is a personal evaluation of health-care services that is often used as an indicator of quality of care. The aim of this study was to identify aspects of hospital care that affect patient satisfaction by examining the structural and convergent validity of an in-house questionnaire. METHODS: The sample consisted of 3320 patients discharged from an Italian public hospital. The questionnaire included items exploring communication with nurses and physicians, pain management, quality of accommodation, and discharge information...
September 2017: Journal of patient experience
https://www.readbyqxmd.com/read/28951450/top-down-modulation-of-auditory-motor-integration-during-speech-production-the-role-of-working-memory
#11
Zhiqiang Guo, Xiuqin Wu, Weifeng Li, Jeffery A Jones, Nan Yan, Stanley Sheft, Peng Liu, Hanjun Liu
Although working memory (WM) is considered as an emergent property of the speech perception and production systems, the role of WM in sensorimotor integration during speech processing is largely unknown. We conducted two event-related potential experiments with female and male young adults to investigate the contribution of WM to the neurobehavioural processing of altered auditory feedback during vocal production. A delayed match-to-sample task that required participants to indicate whether the pitch feedback perturbations they heard during vocalizations in test and sample sequences matched, elicited significantly larger vocal compensations, larger N1 responses in the left middle and superior temporal gyrus, and smaller P2 responses in the left middle and superior temporal gyrus, inferior parietal lobule, somatosensory cortex, right inferior frontal gyrus, and insula compared with a control task that did not require memory retention of the sequence of pitch perturbations...
October 25, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/28940987/error-related-brain-activity-and-internalizing-disorder-symptom-dimensions-in-depression-and-anxiety
#12
Stephanie M Gorka, Katie L Burkhouse, Kaveh Afshar, K Luan Phan
BACKGROUND: Research suggests that enhanced neural reactivity to errors, measured via the error-related negativity (ERN), is relatively unique to internalizing psychopathologies (IPs) and symptom clusters characterized by excessive worry and apprehension. However, no prior study has tested the association between the ERN and IP symptom dimensions in a heterogeneous, clinically representative patient population. The current study was designed to address this gap in the literature and clarify the role of the ERN in an adult IP treatment-seeking patient sample...
September 20, 2017: Depression and Anxiety
https://www.readbyqxmd.com/read/28928363/an-autism-spectrum-disorder-related-de-novo-mutation-hotspot-discovered-in-the-gef1-domain-of-trio
#13
Anastasiia Sadybekov, Chen Tian, Cosimo Arnesano, Vsevolod Katritch, Bruce E Herring
The Rho guanine nucleotide exchange factor (RhoGEF) Trio promotes actin polymerization by directly activating the small GTPase Rac1. Recent studies suggest that autism spectrum disorder (ASD)-related behavioral phenotypes in animal models of ASD can be produced by dysregulation of Rac1's control of actin polymerization at glutamatergic synapses. Here, in humans, we discover a large cluster of ASD-related de novo mutations in Trio's Rac1 activating domain, GEF1. Our study reveals that these mutations produce either hypofunctional or hyperfunctional forms of Trio in rodent neurons in vitro...
September 19, 2017: Nature Communications
https://www.readbyqxmd.com/read/28919302/obesity-and-breast-cancer-role-of-estrogens-and-the-molecular-underpinnings-of-aromatase-regulation-in-breast-adipose-tissue
#14
REVIEW
Céline Gérard, Kristy A Brown
One in eight women will develop breast cancer over their lifetime making it the most common female cancer. The cause of breast cancer is multifactorial and includes hormonal, genetic and environmental cues. Obesity is now an accepted risk factor for breast cancer in postmenopausal women, particularly for the hormone-dependent subtype of breast cancer. Obesity, which is characterized by an excess accumulation of body fat, is at the origin of chronic inflammation of white adipose tissue and is associated with dramatic changes in the biology of adipocytes leading to their dysfunction...
September 15, 2017: Molecular and Cellular Endocrinology
https://www.readbyqxmd.com/read/28904567/intermittent-divergent-squint-in-prematurity-and-its-neurophysiological-aspects
#15
REVIEW
Kalpana Sharma, Praveen Panwar, Kulbhushan Prakash Chaudhary
Intermittent distance exotropia is a deviation characterized by an exophoria at near fixation and manifest exotropia at distance fixation. There is normal binocular fusional vergence and stereoacuity at near fixation, but the eyes tend to diverge in bright sunlight, tiredness, day dreaming and the patient may close one eye in such circumstances. Prematurity is associated with numerous eye pathology, besides retinopathy of prematurity, amblyopia, refractive errors, it is also associated with a higher risk esotropia and exotropia...
April 2017: Journal of Pediatric Neurosciences
https://www.readbyqxmd.com/read/28814114/cross-cultural-validation-of-the-falls-efficacy-scale-international-to-assess-concerns-about-falls-among-hungarian-community-living-older-people
#16
Éva Kovács, Franciska Rozs, Anna Petridisz, Réka Erdős, Eszter Majercsik
PURPOSE: The Falls Efficacy Scale-International (FES-I) is a reliable and valid tool for assessing concerns about falling. Our aims were to translate, culturally adapt, and evaluate the main psychometric characteristics (internal consistency, reproducibility, and convergent construct validity) of the Hungarian version of the FES-I on a sample of community-living older adults. METHODS: After translating and culturally adapting the original scale, 165 community-living older adults (aged 60 years or over) participated in the measurements and filled in the questionnaire...
August 17, 2017: Disability and Rehabilitation
https://www.readbyqxmd.com/read/28791603/development-and-evaluation-of-the-quality-of-life-for-obesity-surgery-qolos-questionnaire
#17
Astrid Müller, Ross D Crosby, Janine Selle, Alexandra Osterhus, Hinrich Köhler, Julian W Mall, Thorsten Meyer, Martina de Zwaan
BACKGROUND AND AIM: Even though health-related quality of life (HRQOL) is considered an important component of bariatric surgery outcome, there is a lack of HRQOL measures relevant for preoperative and postoperative patients. The objective of the current study was to develop a new instrument assessing HRQOL prior to and following bariatric surgery, entitled Quality of Life for Obesity Surgery (QOLOS) Questionnaire. METHODS: Topics for the QOLOS were initially generated via open-ended interviews and focus groups with 19 postoperative bariatric surgery patients...
August 8, 2017: Obesity Surgery
https://www.readbyqxmd.com/read/28754505/mapping-emotional-disorders-at-the-finest-level-convergent-validity-and-joint-structure-based-on-alternative-measures
#18
Allison Dornbach-Bender, Camilo J Ruggero, Monika A Waszczuk, Wakiza Gamez, David Watson, Roman Kotov
BACKGROUND: Traditional categorization of emotional disorders suffers from within-disorder heterogeneity and excessive comorbidity. Quantitative nosology instead proposes grouping homogenous components of these disorders within a higher order internalizing dimension. However, the precise number, composition, and hierarchical structure of these components remains unclear and varies based on assessment tools. METHODS: The present study jointly examined two assessment systems with the broadest coverage of homogeneous emotional disorder components-the revised Interview for Mood and Anxiety Symptoms (IMAS-R) and the self-report-based expanded version of the Inventory of Depression and Anxiety Symptoms (IDAS-II)-to map their convergent and discriminant validity and joint structure in outpatient (N=426) and treated student (N=306) samples...
June 29, 2017: Comprehensive Psychiatry
https://www.readbyqxmd.com/read/28723566/genome-wide-rnai-screen-for-fat-regulatory-genes-in-c-%C3%A2-elegans-identifies-a-proteostasis-ampk-axis-critical-for-starvation-survival
#19
Christopher M Webster, Elizabeth C Pino, Christopher E Carr, Lianfeng Wu, Ben Zhou, Lucydalila Cedillo, Michael C Kacergis, Sean P Curran, Alexander A Soukas
Organisms must execute metabolic defenses to survive nutrient deprivation. We performed a genome-wide RNAi screen in Caenorhabditis elegans to identify fat regulatory genes indispensable for starvation resistance. Here, we show that opposing proteostasis pathways are principal determinants of starvation survival. Reduced function of cytoplasmic aminoacyl tRNA synthetases (ARS genes) increases fat mass and extends starvation survival, whereas reduced proteasomal function reduces fat and starvation survival. These opposing pathways converge on AMP-activated protein kinase (AMPK) as the critical effector of starvation defenses...
July 18, 2017: Cell Reports
https://www.readbyqxmd.com/read/28721495/diversity-and-survival-of-artificial-lifeforms-under-sedimentation-and-random-motion
#20
Nicolas Glade, Olivier Bastien, Pascal Ballet
Cellular automata are often used to explore the numerous possible scenarios of what could have occurred at the origins of life and before, during the prebiotic ages, when very simple molecules started to assemble and organise into larger catalytic or informative structures, or to simulate ecosystems. Artificial self-maintained spatial structures emerge in cellular automata and are often used to represent molecules or living organisms. They converge generally towards homogeneous stationary soups of still-life creatures...
December 2017: Theory in Biosciences, Theorie in Den Biowissenschaften
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