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Wells rule

Li-Hui Mou, Qing-Yu Liu, Ting Zhang, Zi-Yu Li, Sheng-Gui He
Dinitrogen activation/fixation is one of the most important and challenging subjects in synthetic as well as theoretical chemistry. In this study, the adsorption reactions of N2 onto TaCn - ( n = 1-4) cluster anions have been investigated by means of mass spectrometry in conjunction with density functional theory calculations. Following the experimental results that only TaC4 - was observed to adsorb N2 , theoretical calculations predicted that TaC4 - reaction system (TaC4 - + N2 → TaC4 N2 - ) has a negligible barrier on the approach of N2 molecule while insurmountable barriers are located on the reaction pathways of TaC1-3 - /N2 reaction systems...
March 16, 2018: Journal of Physical Chemistry. A
Aneesh Srivastava, Anil Mani
Organ transplantation has improved the lives of hundreds of thousands of patients all the world. The total organ donation shortage of the country can be met with if even 5 to 10% of the victims involved in fatal accidents serve as organ donors. The challenges include an interplay of sociocultural factors, beliefs and superstitions, lack of communication and organizational support, and negative views by the media. Several initiatives to encourage deceased organ donation include the Indian Network for Organ Sharing, a subdivision of the National Organ and Tissue Transplant Organization, the Transplantation of Human Organ Act (THOA), as well as the Transplantation of Human Organs and Tissue Rules...
March 2018: Neurology India
Alicia Algeciras-Schimnich
The post-operative management of patients with differentiated thyroid carcinoma (DTC) relies on serial measurements of serum thyroglobulin. Current methodologies for thyroglobulin quantitation vary in their analytical and clinical performance. For years, thyroglobulin radioimmunoassays (RIA) and immunometric assays (IMA) have been used despite analytical interferences from anti-thyroglobulin autoantibodies (TgAb) as well as heterophile antibodies (HAb). TgAb interference limits Tg utility as a tumor marker in ∼30% of TgAb-positive patients...
March 16, 2018: Critical Reviews in Clinical Laboratory Sciences
Edward Snelson, Shammi Ramlakhan
OBJECTIVE: In an attempt to improve the diagnosis of sepsis in children, diagnostic aids have concentrated on clinical features that suggest that sepsis is present. Clinicians need to be able to clinically rule out sepsis as well as rule it in. Little is known about which features are consistent with wellness and/or absence of sepsis. Guidelines are therefore likely to improve sensitivity without preserving specificity. We aimed to gather expert opinion on which (if any) features would make clinicians consider a child to be unlikely to have sepsis...
March 15, 2018: Archives of Disease in Childhood
Madelyne A Bisby, Kathryn D Baker, Rick Richardson
NMDA receptors (NMDARs) are considered critical for the consolidation of extinction but recent work challenges this assumption. Namely, NMDARs are not required for extinction retention in infant rats as well as when extinction training occurs for a second time (i.e., reextinction) in adult rats. In this study, a possible third instance of NMDAR-independent extinction was tested. Although adolescents typically exhibit impaired extinction retention, rats that are conditioned as juveniles and then given extinction training as adolescents (JuvCond-AdolesExt) have good extinction retention...
April 2018: Learning & Memory
Jonathan Jerke, Bill Poirier
Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy-i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest...
March 14, 2018: Journal of Chemical Physics
Frank Niemeyer, Lutz Claes, Anita Ignatius, Nicholaus Meyers, Ulrich Simon
Distraction osteogenesis is an effective method for generating large amounts of bone in situ for treating pathologies such as large bone defects or skeletal malformations, for instance leg-length discrepancies. While an optimized distraction procedure might have the potential to reduce the rate of complications significantly, our knowledge of the underlying mechanobiological processes is still insufficient for systematic optimization of treatment parameters such as distraction rate or fixation stiffness. We present a novel numerical model of lateral distraction osteogenesis, based on a mechanically well-controlled in vivo experiment...
2018: PloS One
Franziska Hagelstein, Vladimir Pascalutsa
The theoretical uncertainty of (g-2)_{μ} is currently dominated by hadronic contributions. In order to express those in terms of directly measurable quantities, we consider a sum rule relating g-2 to an integral of a photoabsorption cross section. The sum rule, attributed to Schwinger, can be viewed as a combination of two older sum rules: Gerasimov-Drell-Hearn and Burkhardt-Cottingham. The Schwinger sum rule has an important feature, distinguishing it from the other two: the relation between the anomalous magnetic moment and the integral of a photoabsorption cross section is linear, rather than quadratic...
February 16, 2018: Physical Review Letters
Ariel A Valiente-Gabioud, Dietmar Riedel, Tiago F Outeiro, Mauricio A Menacho-Márquez, Christian Griesinger, Claudio O Fernández
The inherent tendency of proteins to convert from their native states into amyloid aggregates is associated with a range of human disorders, including Alzheimer's and Parkinson's diseases. In that sense, the use of small molecules as probes for the structural and toxic mechanism related to amyloid aggregation has become an active area of research. Compared with other compounds, the structural and molecular basis behind the inhibitory interaction of phthalocyanine tetrasulfonate (PcTS) with proteins such as αS and tau has been well established, contributing to a better understanding of the amyloid aggregation process in these proteins...
March 13, 2018: Biophysical Journal
Mantas Mikaitis, Garibaldi Pineda García, James C Knight, Steve B Furber
SpiNNaker is a digital neuromorphic architecture, designed specifically for the low power simulation of large-scale spiking neural networks at speeds close to biological real-time. Unlike other neuromorphic systems, SpiNNaker allows users to develop their own neuron and synapse models as well as specify arbitrary connectivity. As a result SpiNNaker has proved to be a powerful tool for studying different neuron models as well as synaptic plasticity-believed to be one of the main mechanisms behind learning and memory in the brain...
2018: Frontiers in Neuroscience
Deling Wang, Jia-Rui Li, Yu-Hang Zhang, Lei Chen, Tao Huang, Yu-Dong Cai
Breast cancer is one of the most common malignancies in women. Patient-derived tumor xenograft (PDX) model is a cutting-edge approach for drug research on breast cancer. However, PDX still exhibits differences from original human tumors, thereby challenging the molecular understanding of tumorigenesis. In particular, gene expression changes after tissues are transplanted from human to mouse model. In this study, we propose a novel computational method by incorporating several machine learning algorithms, including Monte Carlo feature selection (MCFS), random forest (RF), and rough set-based rule learning, to identify genes with significant expression differences between PDX and original human tumors...
March 12, 2018: Genes
Gudrun A Fridgeirsdottir, Rob Harris, Ian Dryden, Peter M Fischer, Clive J Roberts
Solid dispersions can be a successful way to enhance the bioavailability of poorly soluble drugs. Here 60 solid dispersion formulations were produced using ten chemically diverse, neutral, poorly soluble drugs, three commonly used polymers, and two manufacturing techniques, spray drying and melt extrusion. Each formulation underwent a six-month stability study at accelerated conditions, 40 °C and 75% relative humidity (RH). Significant differences in times to crystallisation (onset of crystallisation) were observed between both the different polymers and the two processing methods...
March 13, 2018: Molecular Pharmaceutics
Noman Lateef, Abdul Haseeb, Uzair K Ghori, Abubakar Tauseef, Mustafa Dawood, Syed M Hasan Kazmi
Rosai-Dorfman disease (RDD) is a rare, benign, and predominantly nodal disease that most commonly presents as bilateral, painless cervical lymphadenopathy; although inguinal, axillary, mediastinal, and hilar lymphadenopathy has also been reported. Apart from nodal involvement, RDD has extranodal manifestations involving bone, soft tissue, and liver as well as constitutional symptoms of fever, night sweats, and weight loss, which make it reasonable to rule out the infectious, autoimmune, and malignant conditions as the differential diagnosis...
January 2, 2018: Curēus
Georgi Tchernev
BACKGROUND: We present to the attention of the medical, dermatological and oncosurgical community data that serves to indicate the indispensability of optimisation of the algorithm and recommendations for diagnosis and surgical treatment of cutaneous melanoma. These recommendations could be referred to different subgroups of patients in different clinical stages as well as to patients with different initial characterisation (histological morphology) of the primary tumours. One step surgery is not a myth, even more, it could prove to be one of the best solutions for some patient collectives with advanced stages of melanoma...
February 15, 2018: Open Access Macedonian Journal of Medical Sciences
Brad Wright, Xuan Zhang, Momotazur Rahman, Keith Kocher
STUDY OBJECTIVE: Outpatient observation stays are increasingly substituting for standard inpatient hospitalizations. In 2013, the Centers for Medicare & Medicaid Services adopted the controversial Two-Midnight Rule policy to curb long observation stays and better define the use of hospital-based observation services versus inpatient hospitalizations. We seek to determine the extent to which Medicare beneficiaries exposed to long observation stays (>48 hours) are clinically similar to those with short observation stays (≤48 hours) because this has relevance to the Two-Midnight Rule...
March 9, 2018: Annals of Emergency Medicine
Victor H Perez-Gonzalez, Roberto C Gallo-Villanueva, Braulio Cardenas-Benitez, Sergio O Martinez-Chapa, Blanca H Lapizco-Encinas
Insulator based dielectrophoresis (iDEP) is a microfluidic technique used for particle analysis in a wide array of applications. Significant efforts are dedicated to improve iDEP systems by reducing voltage requirements. This study assesses how the performance of an iDEP system, in terms of particle trapping, depends on the number of insulating obstacles longitudinally present in the microchannel. In analogy with Kirchhoff's loop rule, iDEP systems were analyzed as a series combination of electrical resistances, where the equivalent resistance of the post array is composed by a number of individual resistors (columns of insulating posts)...
March 12, 2018: Analytical Chemistry
A Srivastava, S Singh, A Pandey, D Kumar, C S Rajpurohit, V K Khanna, A B Pant
The secretome-mediated responses over cellular physiology are well documented. Stem cells have been ruling the field of secretomics and its role in regenerative medicine since the past few years. However, the mechanistic aspects of secretome-mediated responses and the role of other cells in this area remain somewhat elusive. Here, we investigate the effects of secretome-enriched conditioned medium (CM) of neuronally differentiated PC12 cells on the neuronal differentiation of human mesenchymal stem cells (hMSCs)...
March 12, 2018: Molecular Neurobiology
Patricia S Mann-Poll, Annet Smit, Eric O Noorthoorn, Wim A Janssen, Bauke Koekkoek, Giel J M Hutschemaekers
International comparative studies show that Dutch seclusion rates are relatively high. Therefore, several programs to change this practice were developed and implemented. The purpose of this study was to examine the impact of a seclusion reduction program over a long time frame, from 2004 until 2013. Three phases could be identified; the phase of development and implementation of the program (2004-2007), the project phase (2008-2010) and the consolidation phase (2011-2013). Five inpatient wards of a mental health institute were monitored...
March 12, 2018: Psychiatric Quarterly
Hyojung Kang, Rachel L Orlowsky, Gregory J Gerling
In mammals, touch is encoded by sensory receptors embedded in the skin. For one class of receptors in the mouse, the architecture of its Merkel cells, unmyelinated neurites, and heminodes follow particular renewal and remodeling trends over hair cycle stages from ages 4 to 10 weeks. As it is currently impossible to observe such trends across a single animal's hair cycle, this work employs discrete event simulation to identify and evaluate policies of Merkel cell and heminode dynamics. Well matching the observed data, the results show that the baseline model replicates dynamic remodeling behaviors between stages of the hair cycle - based on particular addition and removal polices and estimated probabilities tied to constituent parts of Merkel cells, terminal branch neurites and heminodes...
December 2017: Proceedings of the Winter Simulation Conference
Ranjan Bhattacharyya
The communication between G. S Bose and Sigmund Freud is a well-documented fact, and philosophical blend of rich cultural experiences is unique to modification of traditional psychoanalysis in the context of development of psychiatry in West Bengal. The Calcutta lunatic asylum was established at Bhowanipore, and first general hospital psychiatric unit was formed at R. G. Kar Medical College, Calcutta. Prof. Ajita Chakraborty was a pioneer to describe her struggling days in the early career and shared her views with experiences in her autobiography...
February 2018: Indian Journal of Psychiatry
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