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https://www.readbyqxmd.com/read/28091724/automatic-ct-based-finite-element-model-generation-for-temperature-based-death-time-estimation-feasibility-study-and-sensitivity-analysis
#1
Sebastian Schenkl, Holger Muggenthaler, Michael Hubig, Bodo Erdmann, Martin Weiser, Stefan Zachow, Andreas Heinrich, Felix Victor Güttler, Ulf Teichgräber, Gita Mall
Temperature-based death time estimation is based either on simple phenomenological models of corpse cooling or on detailed physical heat transfer models. The latter are much more complex but allow a higher accuracy of death time estimation, as in principle, all relevant cooling mechanisms can be taken into account.Here, a complete workflow for finite element-based cooling simulation is presented. The following steps are demonstrated on a CT phantom: Computer tomography (CT) scan Segmentation of the CT images for thermodynamically relevant features of individual geometries and compilation in a geometric computer-aided design (CAD) model Conversion of the segmentation result into a finite element (FE) simulation model Computation of the model cooling curve (MOD) Calculation of the cooling time (CTE) For the first time in FE-based cooling time estimation, the steps from the CT image over segmentation to FE model generation are performed semi-automatically...
January 14, 2017: International Journal of Legal Medicine
https://www.readbyqxmd.com/read/28091673/conformational-and-electronic-effects-on-the-formation-of-anti-cyclobutane-pyrimidine-dimers-in-g-quadruplex-structures
#2
Wook Lee, Spiridoula Matsika
Cyclobutane pyrimidine dimers (CPDs) are the most commonly formed photochemical products when nucleic acids interact with UV radiation. In duplex DNA, the relative inflexible structure allows for only the cis, syn CPD isomer to be formed. G-quadruplex structures, however, have loops that are more flexible and allow for different orientations of the bases to interact. As a result, the highly unusual formation of an anti CPD has been observed in these structures. Due to the close proximity between two opposing loops containing the TTA sequence in two G-quadruplex structures (called "form-3" and "basket"), a high yield of anti CPD formation was expected in these structures...
January 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28088721/modeling-biosolids-drying-through-a-laminated-hydrophobic-membrane
#3
Solmaz Marzooghi, Chunjian Shi, Steven K Dentel, Paul T Imhoff
The adaptation of the membrane distillation process as a low-cost and sustainable approach to biosolids drying and stabilization is investigated, which may have application in container-based sanitation systems proposed in low-income urban regions. Three-layer laminated, breathable, hydrophobic membranes enclose the biosolids, facilitating drying but preventing transport of contaminants. The membranes used in this process are non-wetting with pore spaces that only allow vapor transport. Water vapor can be expelled due to a moderate vapor pressure gradient...
December 29, 2016: Water Research
https://www.readbyqxmd.com/read/28086884/transfer-factor-for-carbon-monoxide-in-patients-with-copd-and-diabetes-results-from-the-german-cosyconet-cohort
#4
Kathrin Kahnert, Tanja Lucke, Frank Biertz, Andreas Lechner, Henrik Watz, Peter Alter, Robert Bals, Jürgen Behr, Rolf Holle, Rudolf M Huber, Stefan Karrasch, Beate Stubbe, Margarethe Wacker, Sandra Söhler, Emiel F M Wouters, Claus Vogelmeier, Rudolf A Jörres
BACKGROUND: An impairment of CO diffusing capacity has been shown in diabetic patients without lung disease. We analyzed how diffusing capacity in patients with COPD is affected by the concurrent diagnosis of diabetes. METHODS: Data from the initial visit of the German COPD cohort COSYCONET were used for analysis. 2575 patients with complete lung function data were included, among them 358 defined as diabetics with a reported physician diagnosis of diabetes and/or specific medication...
January 13, 2017: Respiratory Research
https://www.readbyqxmd.com/read/28079226/in-silico-kinetics-of-alkaline-hydrolysis-of-1-3-5-trinitro-1-3-5-triazinane-rdx-m06-2x-investigation
#5
L K Sviatenko, L Gorb, D Leszczynska, S I Okovytyy, M K Shukla, J Leszczynski
Alkaline hydrolysis of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), as one of the most promising methods for nitrocompound remediation, was investigated computationally at the PCM(Pauling)/M06-2X/6-311++G(d,p) level of theory. Computational simulation shows that RDX hydrolysis is a highly exothermic multistep process involving initial deprotonation and nitrite elimination, cycle cleavage, further transformation of cycle-opened intermediates to end products caused by a series of C-N bond ruptures, hydroxide attachments, and proton transfers...
January 12, 2017: Environmental Science. Processes & Impacts
https://www.readbyqxmd.com/read/28071894/noninvasive-monitoring-of-blood-glucose-with-raman-spectroscopy
#6
Rishikesh Pandey, Santosh Kumar Paidi, Tulio A Valdez, Chi Zhang, Nicolas Spegazzini, Ramachandra Rao Dasari, Ishan Barman
The successful development of a noninvasive blood glucose sensor that can operate reliably over sustained periods of time has been a much sought after but elusive goal in diabetes management. Since diabetes has no well-established cure, control of elevated glucose levels is critical for avoiding severe secondary health complications in multiple organs including the retina, kidney and vasculature. While fingerstick testing continues to be the mainstay of blood glucose detection, advances in electrochemical sensing-based minimally invasive approaches have opened the door for alternate methods that would considerably improve the quality of life for people with diabetes...
January 10, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28069012/systematic-review-of-worldwide-trends-in-assisted-reproductive-technology-2004-2013
#7
REVIEW
Vitaly A Kushnir, David H Barad, David F Albertini, Sarah K Darmon, Norbert Gleicher
BACKGROUND: Assisted Reproductive Technology (ART) has undergone considerable changes over the last decade, with consequences on ART outcomes in different regions of the world being unknown. METHODS: We conducted a systematic review of published national and regional ART registry data to assess how changes in clinical practice between 2004 and 2013 have impacted outcomes in Australia and New Zealand, Canada, Continental Europe, the United Kingdom (U.K.), Japan, Latin America, and the United States (U...
January 10, 2017: Reproductive Biology and Endocrinology: RB&E
https://www.readbyqxmd.com/read/28068437/association-between-early-lactate-levels-and-30-day-mortality-in-clinically-suspected-sepsis-in-children
#8
Halden F Scott, Lina Brou, Sara J Deakyne, Allison Kempe, Diane L Fairclough, Lalit Bajaj
Importance: Improving emergency care of pediatric sepsis is a public health priority, but optimal early diagnostic approaches are unclear. Measurement of lactate levels is associated with improved outcomes in adult septic shock, but pediatric guidelines do not endorse its use, in part because the association between early lactate levels and mortality is unknown in pediatric sepsis. Objective: To determine whether the initial serum lactate level is associated with 30-day mortality in children with suspected sepsis...
January 9, 2017: JAMA Pediatrics
https://www.readbyqxmd.com/read/28068061/looking-at-photoinduced-charge-transfer-processes-in-the-ir-answers-to-several-long-standing-questions
#9
Bogdan Dereka, Marius Koch, Eric Vauthey
Because of its crucial role in many areas of science and technology, photoinduced electron transfer is the most investigated photochemical reaction. Despite this, several important questions remain open. We present recent efforts to answer some of them, which concern both inter- and intramolecular processes. The decisive factor that allowed these issues to be successfully addressed was the use of time-resolved infrared (TRIR) spectroscopy. Many different transient species, such as tight and loose ion pairs (TIPs and LIPs) and exciplexes, have been invoked to explain the dynamics of intermolecular photoinduced charge separation reactions (i...
January 9, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28067047/solvatochromic-and-fluorogenic-dyes-as-environment-sensitive-probes-design-and-biological-applications
#10
Andrey S Klymchenko
Fluorescent environment-sensitive probes are specially designed dyes that change their fluorescence intensity (fluorogenic dyes) or color (e.g., solvatochromic dyes) in response to change in their microenvironment polarity, viscosity, and molecular order. The studies of the past decade, including those of our group, have shown that these molecules become universal tools in fluorescence sensing and imaging. In fact, any biomolecular interaction or change in biomolecular organization results in modification of the local microenvironment, which can be directly monitored by these types of probes...
January 9, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28066545/predicting-signatures-of-anisotropic-resonance-energy-transfer-in-dye-functionalized-nanoparticles
#11
Gabriel Gil, Stefano Corni, Alain Delgado, Andrea Bertoni, Guido Goldoni
Resonance energy transfer (RET) is an inherently anisotropic process. Even the simplest, well-known Förster theory, based on the transition dipole-dipole coupling, implicitly incorporates the anisotropic character of RET. In this theoretical work, we study possible signatures of the fundamental anisotropic character of RET in hybrid nanomaterials composed of a semiconductor nanoparticle (NP) decorated with molecular dyes. In particular, by means of a realistic kinetic model, we show that the analysis of the dye photoluminescence difference for orthogonal input polarizations reveals the anisotropic character of the dye-NP RET which arises from the intrinsic anisotropy of the NP lattice...
November 13, 2016: RSC Advances
https://www.readbyqxmd.com/read/28063614/analysis-of-emergency-department-length-of-stay-for-mental-health-patients-at-ten-massachusetts-emergency-departments
#12
Mark D Pearlmutter, Kristin H Dwyer, Laura G Burke, Niels Rathlev, Louise Maranda, Greg Volturo
STUDY OBJECTIVE: Prolonged boarding times in the emergency department (ED) disproportionately affect mental health patients, resulting in patient and provider dissatisfaction and increased patient morbidity and mortality. Our objective is to quantify the burden of mental health boarding and to elucidate the effect of insurance together with demographic, social, and comorbid factors on length of stay. METHODS: We conducted a cross-sectional observational study of 871 consecutive patients requiring an ED mental health evaluation at one of 10 unaffiliated Massachusetts hospitals...
December 30, 2016: Annals of Emergency Medicine
https://www.readbyqxmd.com/read/28063454/calcium-hydrogen-interactions-for-collisional-excitation-and-charge-transfer
#13
A Mitrushchenkov, M Guitou, A K Belyaev, S A Yakovleva, A Spielfiedel, N Feautrier
The accurate highly correlated ab initio calculations for ten low lying covalent Σ+2 states of CaH molecule, and one ionic Ca(+)H(-) state, are performed using large active space and extended basis set, with special attention to the long-range (6-20 Å) region where a number of avoided crossings between ionic and covalent states occur. These states are further transformed to a diabatic representation using a numerical diabatization scheme based on the minimization of derivative coupling. This results in a smooth diabatic Hamiltonian which can be easily fit to an analytic form...
January 7, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28060999/statistical-image-domain-multi-material-decomposition-for-dual-energy-ct
#14
Yi Xue, Ruoshui Ruan, Xiuhua Hu, Yu Kuang, Jing Wang, Yong Long, Tianye Niu
PURPOSE: Dual-energy CT (DECT) enhances tissue characterization because of its basis material decomposition capability. In addition to conventional two-material decomposition from DECT measurements, multi-material decomposition (MMD) is required in many clinical applications. To solve the ill-posed problem of reconstructing multiple-material images from dual-energy measurements, additional constraints are incorporated into the formulation, including volume and mass conservation and the assumptions that at most three materials in each pixel and various material types among pixels...
January 6, 2017: Medical Physics
https://www.readbyqxmd.com/read/28060041/estimating-pertussis-susceptibility-among-0-23-month-old-children-in-the-united-states-using-national-immunization-survey-nis-2013
#15
Lana Childs, Robert A Bednarczyk
BACKGROUND: Despite high pertussis-containing vaccine coverage in the United States (US), children who are unvaccinated or not fully vaccinated remain susceptible to pertussis. Over multiple birth cohorts of incomplete vaccination, the number of children not immune to pertussis will accumulate due to factors such as age-specific vaccination status and dose-specific vaccine effectiveness. The total number of pertussis-susceptible children 0-23 months of age in the US is unknown. METHODS: Using data on age-specific pertussis-containing vaccine receipt among children evaluated in the 2013 National Immunization Survey (born between February 2011 and June 2012), and accounting for vaccine effectiveness, and maternal transfer of anti-pertussis antibodies, we estimated the cumulative number of pertussis-susceptible children 0-23 months of age...
January 3, 2017: Pediatric Infectious Disease Journal
https://www.readbyqxmd.com/read/28059916/does-hospital-transfer-impact-outcomes-after-colorectal-surgery
#16
Christopher J Chow, Wolfgang B Gaertner, Christine C Jensen, Bradford Sklow, Robert D Madoff, Mary R Kwaan
BACKGROUND: With increasing public reporting of outcomes and bundled payments, hospitals and providers are scrutinized for morbidity and mortality. The impact of patient transfer before colorectal surgery has not been well characterized in a risk-adjusted fashion. OBJECTIVE: We hypothesized that hospital-to-hospital transfer would independently predict morbidity and mortality beyond traditional predictor variables. DESIGN: We constructed a retrospective cohort of 158,446 patients who underwent colorectal surgery using the 2009-2013 American College of Surgeons National Surgical Quality Improvement Program database...
February 2017: Diseases of the Colon and Rectum
https://www.readbyqxmd.com/read/28059528/estimating-the-coherence-of-noise-in-quantum-control-of-a-solid-state-qubit
#17
Guanru Feng, Joel J Wallman, Brandon Buonacorsi, Franklin H Cho, Daniel K Park, Tao Xin, Dawei Lu, Jonathan Baugh, Raymond Laflamme
To exploit a given physical system for quantum information processing, it is critical to understand the different types of noise affecting quantum control. Distinguishing coherent and incoherent errors is extremely useful as they can be reduced in different ways. Coherent errors are generally easier to reduce at the hardware level, e.g., by improving calibration, whereas some sources of incoherent errors, e.g., T_{2}^{*} processes, can be reduced by engineering robust pulses. In this work, we illustrate how purity benchmarking and randomized benchmarking can be used together to distinguish between coherent and incoherent errors and to quantify the reduction in both of them due to using optimal control pulses and accounting for the transfer function in an electron spin resonance system...
December 23, 2016: Physical Review Letters
https://www.readbyqxmd.com/read/28059185/mode-analysis-of-higher-order-transverse-mode-correlation-beams-in-a-turbulent-atmosphere
#18
H Avetisyan, C H Monken
Due to the transfer of the angular spectrum of the pump beam to the two-photon state in spontaneous parametric downconversion, the generated twin photons are entangled in their spatial degrees of freedom. This spatial entanglement can be observed through correlation measurements in any set of modes in which one may choose to perform measurements. Choosing, e.g., a Hermite-Gaussian (HG) set of spatial modes as a basis, one can observe correlations present in their spatial degrees of freedom. In addition, these modes can be used as alphabets for quantum communication...
January 1, 2017: Optics Letters
https://www.readbyqxmd.com/read/28054677/introducing-a-closed-system-approach-for-the-investigation-of-chemical-steps-involving-proton-and-electron-transfer-as-illustrated-by-a-copper-based-water-oxidation-catalyst
#19
Jessica M de Ruiter, Francesco Buda
The investigation of the catalytic mechanism of homogeneous water oxidation catalysts remains an active field of research. When examining catalytic steps theoretically, it is often difficult to account for the transfer of protons and electrons from step to step. To this end, a closed system approach is proposed which includes both proton and electron acceptors in the simulation box to allow for the description of proton-coupled electron transfer processes. Using Car-Parrinello Molecular Dynamics, a mononuclear copper water oxidation catalyst Cu(bpy)(OH)2 was used as a model system to explore this closed system approach...
January 5, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28052199/tuning-the-spectroscopic-properties-of-ratiometric-fluorescent-metal-indicators-experimental-and-computational-studies-on-mag-fura-2-and-analogues
#20
Guangqian Zhang, Denis Jacquemin, Daniela Buccella
In this joint theoretical and experimental work, we investigate the properties of Mag-fura-2 and seven structurally related fluorescent sensors designed for ratiometric detection of Mg2+ cations. The synthesis of three new compounds is described, and the absorption and emission spectra of all sensors in both their free and metal-bound forms are reported. A Time-Dependent Density Functional Theory approach accounting for hydration effects using a hybrid implicit/explicit model is employed to calculate the absorption and fluorescence emission wavelengths, and to study the origins of the hypsochromic shift caused by metal binding for all the sensors in this family, as well as to investigate the auxochromic effects of various modification of the "fura" core...
January 4, 2017: Journal of Physical Chemistry. B
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