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Courtney L Ondeck, Dolores Pretorius, Jill McCaulley, Michael Kinori, Theresa Maloney Rdms, Andrew Hull, Shira L Robbins
Technological progress in medicine has provided earlier diagnosis, even in the prenatal period. We address ultrasonographic imaging of the prenatal eye and orbit. During development of these structures, multiple pathologies and diseases can arise. Orbital anomalies can be detected prenatally using ultrasound or MRI. Some of these include congenital cataracts, hypertelorism, hypotelorism, dacryocystocele, microphthalmia, anophthalmia, orbital tumors/masses, and septo-optic dysplasia. We describe characteristic ultrasound findings of these diseases...
April 26, 2018: Survey of Ophthalmology
Yuxing Fang, Xiaosha Wang, Suyu Zhong, Luping Song, Zaizhu Han, Gaolang Gong, Yanchao Bi
Object conceptual processing has been localized to distributed cortical regions that represent specific attributes. A challenging question is how object semantic space is formed. We tested a novel framework of representing semantic space in the pattern of white matter (WM) connections by extending the representational similarity analysis (RSA) to structural lesion pattern and behavioral data in 80 brain-damaged patients. For each WM connection, a neural representational dissimilarity matrix (RDM) was computed by first building machine-learning models with the voxel-wise WM lesion patterns as features to predict naming performance of a particular item and then computing the correlation between the predicted naming score and the actual naming score of another item in the testing patients...
April 6, 2018: PLoS Biology
Daniel Ricardo Nascimento, A Eugene DePrince
The Hartree-Fock problem was recently recast as a semidefinite optimization over the space of rank-constrained two-body reduced-density matrices (RDMs) [Phys. Rev. A 89, 010502(R) (2014)]. This formulation of the problem transfers the non-convexity of the Hartree-Fock energy functional to the rank constraint on the two-body RDM. We consider an equivalent optimization over the space of positive semidefinite one-electron RDMs (1-RDMs) that retains the non-convexity of the Hartree-Fock energy expression. The optimized 1-RDM satisfies ensemble N-representability conditions, and ensemble spin-state conditions may be imposed as well...
March 29, 2018: Journal of Chemical Theory and Computation
Caitlin Lanssens, Paul W Ayers, Dimitri Van Neck, Stijn De Baerdemacker, Klaas Gunst, Patrick Bultinck
In methods like geminal-based approaches or coupled cluster that are solved using the projected Schrödinger equation, direct computation of the 2-electron reduced density matrix (2-RDM) is impractical and one falls back to a 2-RDM based on response theory. However, the 2-RDMs from response theory are not N-representable. That is, the response 2-RDM does not correspond to an actual physical N-electron wave function. We present a new algorithm for making these non-N-representable 2-RDMs approximately N-representable, i...
February 28, 2018: Journal of Chemical Physics
Romit Chakraborty, David A Mazziotti
Electron occupations that arise from pure quantum states are restricted by a stringent set of conditions that are said to generalize the Pauli exclusion principle. These generalized Pauli constraints (GPCs) define the boundary of the set of one-electron reduced density matrices (1-RDMs) that are derivable from at least one N-electron wavefunction. In this paper, we investigate the sparsity of the Slater-determinant representation of the wavefunction that is a necessary, albeit not sufficient, condition for its 1-RDM to lie on the boundary of the set of pure N-representable 1-RDMs or in other words saturate one of the GPCs...
February 7, 2018: Journal of Chemical Physics
Shiya Zheng, Dan Song, Xiaoxiao Jin, Haijun Zhang, Mohanad Aldarouish, Yan Chen, Cailian Wang
AIM: Severe cardiac toxicity of doxorubicin and an immunosuppressive tumor micro-environment become main obstacles for the effective treatment of B-cell lymphoma. In this research, rituximab-conjugated and doxorubicin-loaded microbubbles (RDMs) were designed for exploring a combination approach of targeted microbubbles with ultrasound (US) irradiation and PD-1 inhibitor to overcome obstacles mentioned above. METHODS: In vivo studies were performed on SU-DHL-4 cell-grafted mice and ex vivo studies were performed on CD20+ human SU-DHL-4 cells and human T cells...
February 2018: Nanomedicine
Daniel Frings, Antony C Moss, Ian P Albery, Guleser Eskisan, Thomas D W Wilcockson, Alexander P Marchant
Aims: Responsible drinking messages (RDMs) are used as a key tool to reduce alcohol-related harms. A common form of RDM is in a poster format displayed in places such as bars, bus stops and toilet cubicles. However, evidence for the effectiveness of RDMs remains limited. Moreover, it is not known how environmental contexts (e.g. the number of alcohol-related cues in the environment) impact how such RDMs are interacted with, nor how this in turn affects their efficacy. Methods: One hundred participants completed a pseudo taste preference task in either in a bar laboratory (alcohol cue rich environmental context) or a traditional laboratory...
January 1, 2018: Alcohol and Alcoholism: International Journal of the Medical Council on Alcoholism
Antony C Moss, Ian P Albery
Aims: To review the effectiveness of responsible drinking messages (RDMs). Methods: We searched PsycINFO, MEDLINE and Google Scholar to June 2016 for studies evaluating the effectiveness of RDMs. Only eight studies met the inclusion/exclusion criteria. Due to a small number of search results and broad inconsistency in methods and outcome measures, quantitative synthesis was not possible so a narrative summary of findings was conducted. Results: A review of findings from these articles suggested a disjointed approach in terms of the format and content of RDMs evaluated, as well as the dependent variables used to judge their effectiveness...
January 1, 2018: Alcohol and Alcoholism: International Journal of the Medical Council on Alcoholism
Antony C Moss, Stephen Evans, Ian P Albery
BACKGROUND: Responsible drinking messages (RDMs) are a key component of many education-based interventions for reducing alcohol harms. The evidence base for the effectiveness of RDMs is extremely limited, with some recent research suggesting iatrogenic effects of such messages. OBJECTIVE: To examine the effects of exposure to health messages on attitudes towards drinking and drunkenness, and intentions to drink and get drunk, amongst underage drinkers. METHODS: Ninety-four underage drinkers were recruited from colleges in the UK...
October 5, 2017: International Journal of Environmental Research and Public Health
Takeshi Yanai, Masaaki Saitow, Xiao-Gen Xiong, Jakub Chalupský, Yuki Kurashige, Sheng Guo, Sandeep Sharma
We present the development of the multistate multireference second-order perturbation theory (CASPT2) with multiroot references, which are described using the density matrix renormalization group (DMRG) method to handle a large active space. The multistate first-order wave functions are expanded into the internally contracted (IC) basis of the single-state single-reference (SS-SR) scheme, which is shown to be the most feasible variant to use DMRG references. The feasibility of the SS-SR scheme comes from two factors: first, it formally does not require the fourth-order transition reduced density matrix (TRDM) and second, the computational complexity scales linearly with the number of the reference states...
October 10, 2017: Journal of Chemical Theory and Computation
Ningning Wang, Xinyan Yu, Ke Zhang, Chad A Mirkin, Jishan Li
By taking advantage of the optical properties of upconversion nanoparticles (UCNPs), we have designed a luminescence ratiometric nanosensor for measuring nitric oxide (NO) in biological fluids, live cells, and tissues. This nanoconjugate consists of a UCNP core with two strong fluorescence emission peaks at 540 and 656 nm as the upconversion fluorophore, NO-reactive rhodamine B-derived molecules (RdMs) encapsulated within the mesopores of the mSiO2 shell, and a β-cyclodextrin (βCD) layer on the exterior of the particle...
September 5, 2017: Journal of the American Chemical Society
N S Blunt, George H Booth, Ali Alavi
We present developments in the calculation of reduced density matrices (RDMs) in the full configuration interaction quantum Monte Carlo (FCIQMC) method. An efficient scheme is described to allow storage of RDMs across distributed memory, thereby allowing their calculation and storage in large basis sets. We demonstrate the calculation of RDMs for general states by using the recently introduced excited-state FCIQMC approach [N. S. Blunt et al., J. Chem. Phys. 143, 134117 (2015)] and further introduce calculation of transition density matrices in the method...
June 28, 2017: Journal of Chemical Physics
Sevan A Vahanian, Martin R Chavez, Jean Murphy, Patrick Vetere, Farr R Nezhat, Anthony M Vintzileos
No abstract text is available yet for this article.
March 2018: Journal of Minimally Invasive Gynecology
Arnab Kar, Ignacio Franco
Practical measures of electronic decoherence, called distilled purities, that are applicable to many-body systems are introduced. While usual measures of electronic decoherence such as the purity employ the full N-particle density matrix which is generally unavailable, the distilled purities are based on the r-body reduced density matrices (r-RDMs) which are more accessible quantities. The r-body distilled purities are derivative quantities of the previously introduced r-body reduced purities [I. Franco and H...
June 7, 2017: Journal of Chemical Physics
Tao Xin, Dawei Lu, Joel Klassen, Nengkun Yu, Zhengfeng Ji, Jianxin Chen, Xian Ma, Guilu Long, Bei Zeng, Raymond Laflamme
Quantum state tomography via local measurements is an efficient tool for characterizing quantum states. However, it requires that the original global state be uniquely determined (UD) by its local reduced density matrices (RDMs). In this work, we demonstrate for the first time a class of states that are UD by their RDMs under the assumption that the global state is pure, but fail to be UD in the absence of that assumption. This discovery allows us to classify quantum states according to their UD properties, with the requirement that each class be treated distinctly in the practice of simplifying quantum state tomography...
January 13, 2017: Physical Review Letters
H Zhao, R J Harris, J Ellis, M Donati, R G Pebody
Human parainfluenza virus (HPIV) infections are one of the commonest causes of upper and lower respiratory tract infections. In order to determine if there have been any recent changes in HPIV epidemiology in England and Wales, laboratory surveillance data between 1998 and 2013 were analysed. The UK national laboratory surveillance database, LabBase, and the newly established laboratory-based virological surveillance system, the Respiratory DataMart System (RDMS), were used. Descriptive analysis was performed to examine the distribution of cases by year, age, sex and serotype, and to examine the overall temporal trend using the χ 2 test...
April 2017: Epidemiology and Infection
J Brendan Ritchie, Stefania Bracci, Hans Op de Beeck
Representational similarity analysis (RSA) is an important part of the methodological toolkit in neuroimaging research. The focus of the approach is the construction of representational dissimilarity matrices (RDMs), which provide a single format for making comparisons between different neural data types, computational models, and behavior. We highlight two issues for the construction and comparison of RDMs. First, the diagonal values of RDMs, which should reflect within condition reliability of neural patterns, are typically not estimated in RSA...
March 1, 2017: NeuroImage
Sandeep Sharma, Gerald Knizia, Sheng Guo, Ali Alavi
We present two efficient and intruder-free methods for treating dynamic correlation on top of general multiconfiguration reference wave functions - including such as obtained by the density matrix renormalization group (DMRG) with large active spaces. The new methods are the second order variant of the recently proposed multireference linearized coupled cluster method (MRLCC) [ Sharma, S.; Alavi, A. J. Chem. Phys. 2015 , 143 , 102815 ] and of N-electron valence perturbation theory (NEVPT2), with expected accuracies similar to MRCI+Q and (at least) CASPT2, respectively...
February 14, 2017: Journal of Chemical Theory and Computation
Shoubing Zhou, Xiu Zhang, Cailian Wang
This study evaluated rituximab-conjugated, doxorubicin-loaded microbubbles (RDMs) in combination with ultrasound as molecular imaging agents for early diagnosis of B cell lymphomas, and as a targeted drug delivery system. Rituximab, a monoclonal CD20 antibody, was attached to the surfaces of doxorubicin-loaded microbubbles. RDM binding to B cell lymphoma cells was assessed using immunofluorescence. The cytotoxic effects of RDMs in combination with ultrasound (RDMs+US) were evaluated in vitro in CD20+ and CD20- cell lines, and its antitumor activities were assessed in Raji (CD20+) and Jurkat (CD20-) lymphoma cell-grafted mice...
January 17, 2017: Oncotarget
Locedie Mansueto, Roven Rommel Fuentes, Frances Nikki Borja, Jeffery Detras, Juan Miguel Abriol-Santos, Dmytro Chebotarov, Millicent Sanciangco, Kevin Palis, Dario Copetti, Alexandre Poliakov, Inna Dubchak, Victor Solovyev, Rod A Wing, Ruaraidh Sackville Hamilton, Ramil Mauleon, Kenneth L McNally, Nickolai Alexandrov
We describe updates to the Rice SNP-Seek Database since its first release. We ran a new SNP-calling pipeline followed by filtering that resulted in complete, base, filtered and core SNP datasets. Besides the Nipponbare reference genome, the pipeline was run on genome assemblies of IR 64, 93-11, DJ 123 and Kasalath. New genotype query and display features are added for reference assemblies, SNP datasets and indels. JBrowse now displays BAM, VCF and other annotation tracks, the additional genome assemblies and an embedded VISTA genome comparison viewer...
January 4, 2017: Nucleic Acids Research
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