Determination of absolute configuration of natural products: theoretical calculation of electronic circular dichroism as a tool

USDA-ARS?s Scientific Manuscript database

Determination of absolute configuration (AC) is one of the most challenging features in the structure elucidation of chiral natural products, especially those with complex structures. With revolutionary advancements in the area of quantum chemical calculations of chiroptical spectroscopy over the pa...

Preparation by enzymolysis and bioactivity of iron complex of fish protein hydrolysate (Fe-FPH) from low value fish

NASA Astrophysics Data System (ADS)

Deng, Shanggui; Huo, Jiancong; Xie, Chao

2008-08-01

Preparation of Fe2+ chelate of fish protein hydrolysate (Fe-FPH) obtained from low value fish proteins was introduced and its bioactivity was studied by compound enzymolysis. The optimum conditions for hydrolysate chelating Fe2+ are DH (degree of hydrolysis) at 5%, pH 7.0, 20°C and 15 min chelating time for FM (material not being defatted). Four types of Fe-FPH including CA (deposit after chelating), CB (deposit in 50% of absolute ethanol solution), CC (suspended deposit in 80% of absolute ethanol solution), and CD (bottom deposit in 80% of absolute ethanol solution) were fractionated with absolute ethanol from FM. Structural analysis through infra-red spectrum revealed that Fe2+ was combined strongly with amino-group and carboxyl-group in each chelate and each Fe2+ could form two five-member ring structures. All of the four chelates were shown more significant antioxidative activity and can be used as natural hydrophobic and hydrophilic antioxidant. Among all the chelates, the CB possesses the most effective antioxidative activity at 92% as high as that of a-tocopherol. Among all Fe-FPHs, only CD showed the most effective antibacterial activity against Escherichia coli, Staphylococcus aureus, Salmonella typhi, and Bacillus subtilis and can be used as natural antibacterial. It provides a more effective way for utilization of low value fish proteins and key information of Fe-FPH as additive in food industry.

Two new sphingolipids from the leaves of Piper betle L.

PubMed

Chen, Duo-Zhi; Xiong, Hua-Bin; Tian, Kai; Guo, Jun-Ming; Huang, Xiang-Zhong; Jiang, Zhi-Yong

2013-09-12

Two new sphingolipids, pipercerebrosides A (1) and B (2), were isolated from the leaves of Piper betle L. Their structures, including absolute configurations, were determined by spectroscopic analysis and chemical degradation. These two compounds did not show significant cytotoxic activity against the cancer cell lines K562 and HL-60 in a MTT assay.

Three new areca alkaloids from the nuts of Areca catechu.

PubMed

Tang, Shao-Nan; Zhang, Jian; Liu, Dong; Liu, Zhi-Wen; Zhang, Xiao-Qi; Ye, Wen-Cai

2017-12-01

Three new areca alkaloids arecatemines A-C (1-3), together with five known ones (4-8), were isolated from the nuts of Areca catechu. The structures of new compounds including absolute configurations were elucidated using comprehensive spectroscopic and electronic circular dichroism (ECD). The known compounds were identified by comparing with data in the literature.

20 CFR 404.1205 - Absolute coverage groups.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 20 Employees' Benefits 2 2011-04-01 2011-04-01 false Absolute coverage groups. 404.1205 Section... Covered § 404.1205 Absolute coverage groups. (a) General. An absolute coverage group is a permanent... are not under a retirement system. An absolute coverage group may include positions which were...

Exopisiod B and farylhydrazone C, two new alkaloids from the Antarctic-derived fungus Penicillium sp. HDN14-431.

PubMed

Zhang, Ting; Zhu, Mei-Lin; Sun, Guang-Yu; Li, Na; Gu, Qian-Qun; Li, De-Hai; Che, Qian; Zhu, Tian-Jiao

2016-10-01

Two new compounds, exopisiod B (1) and farylhydrazone C (2), together with two known compounds (3-4), were isolated from the Antarctic-derived fungus Penicillium sp. HDN14-431. Their structures including absolute configurations were elucidated by spectroscopic methods and TDDFT ECD calculations. The cytotoxicity and antimicrobial activities of all compounds were tested.

The Role of the Farm Family in Integrated Rural Development: The Decision Making Matrix Approach. Working Paper No. 4.

ERIC Educational Resources Information Center

Obura, Willis Bill

Rural Africa includes some 80% of the African population; its people are poverty stricken, illiterate, ill-sheltered, and ill-nourished. These circumstances make rural development absolutely vital. However, past rural development policies have failed to take into consideration the structure and division of labor in the farm family, the traditional…

Summary of the Fourth AIAA CFD Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Vassberg, John C.; Tinoco, Edward N.; Mani, Mori; Rider, Ben; Zickuhr, Tom; Levy, David W.; Brodersen, Olaf P.; Eisfeld, Bernhard; Crippa, Simone; Wahls, Richard A.;

Terpecurcumins A-I from the rhizomes of Curcuma longa: absolute configuration and cytotoxic activity.

PubMed

Lin, Xionghao; Ji, Shuai; Li, Rui; Dong, Yinhui; Qiao, Xue; Hu, Hongbo; Yang, Wenzhi; Guo, Dean; Tu, Pengfei; Ye, Min

2012-12-28

Terpecurcumins A-I (1-9), together with three known analogues (10-12), were isolated from the rhizomes of Curcuma longa (turmeric). They were derived from the hybridization of curcuminoids and bisabolanes. The structures and absolute configurations of 1-9 were elucidated on the basis of extensive spectroscopic data analysis, including NMR and electronic circular dichroism spectra. The configuration of 10 was further confirmed by X-ray crystallography. A plausible biogenetic relationship for 1-12 is proposed. Compounds 4, 6, 7, 10, and 11 showed higher cytotoxic activities (IC(50), 10.3-19.4 μM) than curcumin (IC(50), 31.3-49.2 μM) against human cancer cell lines (A549, HepG2, and MDA-MB-231).

A mapping of an ensemble of mitochondrial sequences for various organisms into 3D space based on the word composition.

PubMed

Aita, Takuyo; Nishigaki, Koichi

2012-11-01

To visualize a bird's-eye view of an ensemble of mitochondrial genome sequences for various species, we recently developed a novel method of mapping a biological sequence ensemble into Three-Dimensional (3D) vector space. First, we represented a biological sequence of a species s by a word-composition vector x(s), where its length [absolute value]x(s)[absolute value] represents the sequence length, and its unit vector x(s)/[absolute value]x(s)[absolute value] represents the relative composition of the K-tuple words through the sequence and the size of the dimension, N=4(K), is the number of all possible words with the length of K. Second, we mapped the vector x(s) to the 3D position vector y(s), based on the two following simple principles: (1) [absolute value]y(s)[absolute value]=[absolute value]x(s)[absolute value] and (2) the angle between y(s) and y(t) maximally correlates with the angle between x(s) and x(t). The mitochondrial genome sequences for 311 species, including 177 Animalia, 85 Fungi and 49 Green plants, were mapped into 3D space by using K=7. The mapping was successful because the angles between vectors before and after the mapping highly correlated with each other (correlation coefficients were 0.92-0.97). Interestingly, the Animalia kingdom is distributed along a single arc belt (just like the Milky Way on a Celestial Globe), and the Fungi and Green plant kingdoms are distributed in a similar arc belt. These two arc belts intersect at their respective middle regions and form a cross structure just like a jet aircraft fuselage and its wings. This new mapping method will allow researchers to intuitively interpret the visual information presented in the maps in a highly effective manner. Copyright © 2012 Elsevier Inc. All rights reserved.

Ratio measures in leading medical journals: structured review of accessibility of underlying absolute risks

PubMed Central

Schwartz, Lisa M; Dvorin, Evan L; Welch, H Gilbert

2006-01-01

Objective To examine the accessibility of absolute risk in articles reporting ratio measures in leading medical journals. Design Structured review of abstracts presenting ratio measures. Setting Articles published between 1 June 2003 and 1 May 2004 in Annals of Internal Medicine, BMJ, Journal of the American Medical Association, Journal of the National Cancer Institute, Lancet, and New England Journal of Medicine. Participants 222 articles based on study designs in which absolute risks were directly calculable (61 randomised trials, 161 cohort studies). Main outcome measure Accessibility of the absolute risks underlying the first ratio measure in the abstract. Results 68% of articles (150/222) failed to report the underlying absolute risks for the first ratio measure in the abstract (range 55−81% across the journals). Among these articles, about half did report the underlying absolute risks elsewhere in the article (text, table, or figure) but half did not report them anywhere. Absolute risks were more likely to be reported in the abstract for randomised trials compared with cohort studies (62% v 21%; relative risk 3.0, 95% confidence interval 2.1 to 4.2) and for studies reporting crude compared with adjusted ratio measures (62% v 21%; relative risk 3.0, 2.1 to 4.3). Conclusion Absolute risks are often not easily accessible in articles reporting ratio measures and sometimes are missing altogether—this lack of accessibility can easily exaggerate readers' perceptions of benefit or harm. PMID:17060338

Theoretical aspects of the equivalence principle

NASA Astrophysics Data System (ADS)

Damour, Thibault

2012-09-01

We review several theoretical aspects of the equivalence principle (EP). We emphasize the unsatisfactory fact that the EP maintains the absolute character of the coupling constants of physics, while general relativity and its generalizations (Kaluza-Klein, …, string theory) suggest that all absolute structures should be replaced by dynamical entities. We discuss the EP-violation phenomenology of dilaton-like models, which is likely to be dominated by the linear superposition of two effects: a signal proportional to the nuclear Coulomb energy, related to the variation of the fine-structure constant, and a signal proportional to the surface nuclear binding energy, related to the variation of the light quark masses. We recall various theoretical arguments (including a recently proposed anthropic argument) suggesting that the EP be violated at a small, but not unmeasurably small level. This motivates the need for improved tests of the EP. These tests are probing new territories in physics that are related to deep, and mysterious, issues in fundamental physics.

Fundamental principles of absolute radiometry and the philosophy of this NBS program (1968 to 1971)

NASA Technical Reports Server (NTRS)

Geist, J.

1972-01-01

A description is given work performed on a program to develop an electrically calibrated detector (also called absolute radiometer, absolute detector, and electrically calibrated radiometer) that could be used to realize, maintain, and transfer a scale of total irradiance. The program includes a comprehensive investigation of the theoretical basis of absolute detector radiometry, as well as the design and construction of a number of detectors. A theoretical analysis of the sources of error is also included.

Near real-time analysis of extrinsic Fabry-Perot interferometric sensors under damped vibration using artificial neural networks

NASA Astrophysics Data System (ADS)

Dua, Rohit; Watkins, Steve E.

2009-03-01

Strain analysis due to vibration can provide insight into structural health. An Extrinsic Fabry-Perot Interferometric (EFPI) sensor under vibrational strain generates a non-linear modulated output. Advanced signal processing techniques, to extract important information such as absolute strain, are required to demodulate this non-linear output. Past research has employed Artificial Neural Networks (ANN) and Fast Fourier Transforms (FFT) to demodulate the EFPI sensor for limited conditions. These demodulation systems could only handle variations in absolute value of strain and frequency of actuation during a vibration event. This project uses an ANN approach to extend the demodulation system to include the variation in the damping coefficient of the actuating vibration, in a near real-time vibration scenario. A computer simulation provides training and testing data for the theoretical output of the EFPI sensor to demonstrate the approaches. FFT needed to be performed on a window of the EFPI output data. A small window of observation is obtained, while maintaining low absolute-strain prediction errors, heuristically. Results are obtained and compared from employing different ANN architectures including multi-layered feedforward ANN trained using Backpropagation Neural Network (BPNN), and Generalized Regression Neural Networks (GRNN). A two-layered algorithm fusion system is developed and tested that yields better results.

Calculating Absolute Transition Probabilities for Deformed Nuclei in the Rare-Earth Region

NASA Astrophysics Data System (ADS)

Stratman, Anne; Casarella, Clark; Aprahamian, Ani

2017-09-01

Absolute transition probabilities are the cornerstone of understanding nuclear structure physics in comparison to nuclear models. We have developed a code to calculate absolute transition probabilities from measured lifetimes, using a Python script and a Mathematica notebook. Both of these methods take pertinent quantities such as the lifetime of a given state, the energy and intensity of the emitted gamma ray, and the multipolarities of the transitions to calculate the appropriate B(E1), B(E2), B(M1) or in general, any B(σλ) values. The program allows for the inclusion of mixing ratios of different multipolarities and the electron conversion of gamma-rays to correct for their intensities, and yields results in absolute units or results normalized to Weisskopf units. The code has been tested against available data in a wide range of nuclei from the rare earth region (28 in total), including 146-154Sm, 154-160Gd, 158-164Dy, 162-170Er, 168-176Yb, and 174-182Hf. It will be available from the Notre Dame Nuclear Science Laboratory webpage for use by the community. This work was supported by the University of Notre Dame College of Science, and by the National Science Foundation, under Contract PHY-1419765.

Euphorbesulins A-P, Structurally Diverse Diterpenoids from Euphorbia esula.

PubMed

Zhou, Bin; Wu, Yan; Dalal, Seema; Cassera, Maria B; Yue, Jian-Min

2016-08-26

Aqueous ethanol extracts of powdered twigs of Euphorbia esula afforded 16 new diterpenoids, named euphorbesulins A-P. These euphorbesulins included presegetane (1-3), jatrophane (4-14), paraliane (15), and isopimarane (16) diterpenoids as well as six known analogues. Compounds 1-3 represent a rare type of presegetane diterpenoid. Their structures were determined by analysis of the spectroscopic data, and the absolute configuration of 1 was established by X-ray crystallography. Diterpenoid 7 showed low nanomolar antimalarial activity, while the remaining compounds showed only moderate or no antimalarial activity.

Daryamide Analogues from a Marine-Derived Streptomyces species.

PubMed

Fu, Peng; La, Scott; MacMillan, John B

2017-04-28

Three new cyclohexene amine derivatives, daryamides D-F (1-3), a new arylamine derivative, carpatamide D (4), and a new ornithine lactamization derivative, ornilactam A (5), were isolated from the marine-derived Streptomyces strain SNE-011. Their structures, including absolute configurations, were elucidated on the basis of spectroscopic analysis and chemical methods. The carpatamide skeleton could be considered as the biosynthetic precursor of the daryamides.

Absolute configuration of a chiral CHD group via neutron diffraction: confirmation of the absolute stereochemistry of the enzymatic formation of malic acid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bau, R.; Brewer, I.; Chiang, M.Y.

Neutron diffraction has been used to monitor the absolute stereochemistry of an enzymatic reaction. (-)(2S)malic-3-d acid was prepared by the action of fumarase on fumaric acid in D/sub 2/O. After a large number of cations were screened, it was found that (+)(R)..cap alpha..-phenylethylamine forms the large crystals necessary for a neutron diffraction analysis. The subsequent structure determination showed that (+)(R)..cap alpha..-phenylethylammonium (-)(2S)malate-3-d has an absolute configuration of R at the CHD site. This result confirms the absolute stereochemistry of fumarate-to-malate transformation as catalyzed by the enzyme fumarase.

Absolute vibrational excitation cross sections for 1-18 eV electron scattering from condensed dimethyl phosphate (DMP)

NASA Astrophysics Data System (ADS)

Lemelin, V.; Bass, A. D.; Wagner, J. R.; Sanche, L.

2017-12-01

Absolute cross sections (CSs) for vibrational excitation by 1-18 eV electrons incident on condensed dimethyl phosphate (DMP) were measured with a high-resolution electron energy loss (EEL) spectrometer. Absolute CSs were extracted from EEL spectra of DMP condensed on multilayer film of Ar held at about 20 K under ultra-high vacuum (˜1 × 10-11 Torr). Structures observed in the energy dependence of the CSs around 2, 4, 7, and 12 eV were compared with previous results of gas- and solid-phase experiments and with theoretical studies on dimethyl phosphate and related molecules. These structures were attributed to the formation of shape resonances.

Isobenzofuranones and Isochromenones from the Deep-Sea Derived Fungus Leptosphaeria sp. SCSIO 41005

PubMed Central

Luo, Xiaowei; Lin, Xiuping; Salendra, Limbadri; Pang, Xiaoyan; Dai, Yu; Yang, Bin; Liu, Juan; Wang, Junfeng; Liu, Yonghong

2017-01-01

Four new isobenzofuranones, leptosphaerins J–M (1–4), including an unusual naturally-occurring centrosymmetric dimer skeleton (1), and two new isochromenones, clearanols I–J (9–10), were obtained from a culture of a deep-sea sediment-derived fungus Leptosphaeria sp. SCSIO 41005, together with four known isobenzofuranones (5–8) and six known isochromenones (11–16). These structures were elucidated by extensive spectroscopic analyses, and absolute configurations were assigned on the basis of electronic circular dichroism and optical rotations data comparison. Additionally, the absolute configurations of the new compounds 1 and 9, together with the known one 7 with stereochemistry undetermined, were further confirmed by single crystal X-ray diffraction experiments. A plausible biosynthetic pathway of these isobenzofuranones and isochromenones was also proposed. PMID:28661451

Circuit for Communication over DC Power Line Using High Temperature Electronics

NASA Technical Reports Server (NTRS)

Krasowski, Michael J. (Inventor); Prokop, Norman F. (Inventor)

2014-01-01

A high temperature communications circuit includes a power conductor for concurrently conducting electrical energy for powering circuit components and transmitting a modulated data signal, and a demodulator for demodulating the data signal and generating a serial bit stream based on the data signal. The demodulator includes an absolute value amplifier for conditionally inverting or conditionally passing a signal applied to the absolute value amplifier. The absolute value amplifier utilizes no diodes to control the conditional inversion or passing of the signal applied to the absolute value amplifier.

Determination of the Absolute Configuration of the Pseudo-Symmetric Natural Product Elatenyne by the Crystalline Sponge Method.

PubMed

Urban, Sylvia; Brkljača, Robert; Hoshino, Manabu; Lee, Shoukou; Fujita, Makoto

2016-02-18

Elatenyne is a marine natural product that was isolated in 1986. Despite its simple 2,2'-bifuranyl backbone, its relative structure was only recently determined. The absolute configuration of elatenyne has still not been unequivocally confirmed because of its pseudo-meso core structure, which results in a specific rotation, [α]D  , of almost zero. In this work, the structure of natural elatenyne was determined by the crystalline sponge method and the use of a porous coordination network (a crystalline sponge) capable of absorbing organic guests; in the sponge, the absorbed guests are ordered and crystallographically observable. The crystalline sponge could differentiate between the two very similar alkyl side chains, and the absolute structure of elatenyne was thus reliably determined. The total amount required for the experiments was only approximately 100 μg, and the majority (95 μg) could be recovered after the experiments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Essential Oils, Part VI: Sandalwood Oil, Ylang-Ylang Oil, and Jasmine Absolute.

PubMed

de Groot, Anton C; Schmidt, Erich

In this article, some aspects of sandalwood oil, ylang-ylang oil, and jasmine absolute are discussed including their botanical origin, uses of the plants and the oils and absolute, chemical composition, contact allergy to and allergic contact dermatitis from these essential oils and absolute, and their causative allergenic ingredients.

Mapping the microvascular and the associated absolute values of oxy-hemoglobin concentration through turbid media via local off-set diffuse optical imaging

NASA Astrophysics Data System (ADS)

Chen, Chen; Klämpfl, Florian; Stelzle, Florian; Schmidt, Michael

2014-11-01

An imging resolution of micron-scale has not yet been discovered by diffuse optical imaging (DOI), while a superficial response was eliminated. In this work, we report on a new approach of DOI with a local off-set alignment to subvert the common boundary conditions of the modified Beer-Lambert Law (MBLL). It can resolve a superficial target in micron scale under a turbid media. To validate both major breakthroughs, this system was used to recover a subsurface microvascular mimicking structure under an skin equivalent phantom. This microvascular was included with oxy-hemoglobin solution in variant concentrations to distiguish the absolute values of CtRHb and CtHbO2 . Experimental results confirmed the feasibility of recovering the target vascular of 50 µm in diameter, and graded the values of the concentrations of oxy-hemoglobin from 10 g/L to 50 g/L absolutely. Ultimately, this approach could evolve into a non-invasive imaging system to map the microvascular pattern and the associated oximetry under a human skin in-vivo.

SMOQ: a tool for predicting the absolute residue-specific quality of a single protein model with support vector machines

PubMed Central

2014-01-01

Background It is important to predict the quality of a protein structural model before its native structure is known. The method that can predict the absolute local quality of individual residues in a single protein model is rare, yet particularly needed for using, ranking and refining protein models. Results We developed a machine learning tool (SMOQ) that can predict the distance deviation of each residue in a single protein model. SMOQ uses support vector machines (SVM) with protein sequence and structural features (i.e. basic feature set), including amino acid sequence, secondary structures, solvent accessibilities, and residue-residue contacts to make predictions. We also trained a SVM model with two new additional features (profiles and SOV scores) on 20 CASP8 targets and found that including them can only improve the performance when real deviations between native and model are higher than 5Å. The SMOQ tool finally released uses the basic feature set trained on 85 CASP8 targets. Moreover, SMOQ implemented a way to convert predicted local quality scores into a global quality score. SMOQ was tested on the 84 CASP9 single-domain targets. The average difference between the residue-specific distance deviation predicted by our method and the actual distance deviation on the test data is 2.637Å. The global quality prediction accuracy of the tool is comparable to other good tools on the same benchmark. Conclusion SMOQ is a useful tool for protein single model quality assessment. Its source code and executable are available at: http://sysbio.rnet.missouri.edu/multicom_toolbox/. PMID:24776231

SMOQ: a tool for predicting the absolute residue-specific quality of a single protein model with support vector machines.

PubMed

Cao, Renzhi; Wang, Zheng; Wang, Yiheng; Cheng, Jianlin

2014-04-28

It is important to predict the quality of a protein structural model before its native structure is known. The method that can predict the absolute local quality of individual residues in a single protein model is rare, yet particularly needed for using, ranking and refining protein models. We developed a machine learning tool (SMOQ) that can predict the distance deviation of each residue in a single protein model. SMOQ uses support vector machines (SVM) with protein sequence and structural features (i.e. basic feature set), including amino acid sequence, secondary structures, solvent accessibilities, and residue-residue contacts to make predictions. We also trained a SVM model with two new additional features (profiles and SOV scores) on 20 CASP8 targets and found that including them can only improve the performance when real deviations between native and model are higher than 5Å. The SMOQ tool finally released uses the basic feature set trained on 85 CASP8 targets. Moreover, SMOQ implemented a way to convert predicted local quality scores into a global quality score. SMOQ was tested on the 84 CASP9 single-domain targets. The average difference between the residue-specific distance deviation predicted by our method and the actual distance deviation on the test data is 2.637Å. The global quality prediction accuracy of the tool is comparable to other good tools on the same benchmark. SMOQ is a useful tool for protein single model quality assessment. Its source code and executable are available at: http://sysbio.rnet.missouri.edu/multicom_toolbox/.

Effects of parceling on model selection: Parcel-allocation variability in model ranking.

PubMed

Sterba, Sonya K; Rights, Jason D

2017-03-01

Research interest often lies in comparing structural model specifications implying different relationships among latent factors. In this context parceling is commonly accepted, assuming the item-level measurement structure is well known and, conservatively, assuming items are unidimensional in the population. Under these assumptions, researchers compare competing structural models, each specified using the same parcel-level measurement model. However, little is known about consequences of parceling for model selection in this context-including whether and when model ranking could vary across alternative item-to-parcel allocations within-sample. This article first provides a theoretical framework that predicts the occurrence of parcel-allocation variability (PAV) in model selection index values and its consequences for PAV in ranking of competing structural models. These predictions are then investigated via simulation. We show that conditions known to manifest PAV in absolute fit of a single model may or may not manifest PAV in model ranking. Thus, one cannot assume that low PAV in absolute fit implies a lack of PAV in ranking, and vice versa. PAV in ranking is shown to occur under a variety of conditions, including large samples. To provide an empirically supported strategy for selecting a model when PAV in ranking exists, we draw on relationships between structural model rankings in parcel- versus item-solutions. This strategy employs the across-allocation modal ranking. We developed software tools for implementing this strategy in practice, and illustrate them with an example. Even if a researcher has substantive reason to prefer one particular allocation, investigating PAV in ranking within-sample still provides an informative sensitivity analysis. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Variance computations for functional of absolute risk estimates.

PubMed

Pfeiffer, R M; Petracci, E

2011-07-01

We present a simple influence function based approach to compute the variances of estimates of absolute risk and functions of absolute risk. We apply this approach to criteria that assess the impact of changes in the risk factor distribution on absolute risk for an individual and at the population level. As an illustration we use an absolute risk prediction model for breast cancer that includes modifiable risk factors in addition to standard breast cancer risk factors. Influence function based variance estimates for absolute risk and the criteria are compared to bootstrap variance estimates.

Variance computations for functional of absolute risk estimates

PubMed Central

Pfeiffer, R.M.; Petracci, E.

2011-01-01

We present a simple influence function based approach to compute the variances of estimates of absolute risk and functions of absolute risk. We apply this approach to criteria that assess the impact of changes in the risk factor distribution on absolute risk for an individual and at the population level. As an illustration we use an absolute risk prediction model for breast cancer that includes modifiable risk factors in addition to standard breast cancer risk factors. Influence function based variance estimates for absolute risk and the criteria are compared to bootstrap variance estimates. PMID:21643476

Efficient Merge and Insert Operations for Binary Heaps and Trees

NASA Technical Reports Server (NTRS)

Kuszmaul, Christopher Lee; Woo, Alex C. (Technical Monitor)

2000-01-01

Binary heaps and binary search trees merge efficiently. We introduce a new amortized analysis that allows us to prove the cost of merging either binary heaps or balanced binary trees is O(l), in the amortized sense. The standard set of other operations (create, insert, delete, extract minimum, in the case of binary heaps, and balanced binary trees, as well as a search operation for balanced binary trees) remain with a cost of O(log n). For binary heaps implemented as arrays, we show a new merge algorithm that has a single operation cost for merging two heaps, a and b, of O(absolute value of a + min(log absolute value of b log log absolute value of b. log absolute value of a log absolute value of b). This is an improvement over O(absolute value of a + log absolute value of a log absolute value of b). The cost of the new merge is so low that it can be used in a new structure which we call shadow heaps. to implement the insert operation to a tunable efficiency. Shadow heaps support the insert operation for simple priority queues in an amortized time of O(f(n)) and other operations in time O((log n log log n)/f (n)), where 1 less than or equal to f (n) less than or equal to log log n. More generally, the results here show that any data structure with operations that change its size by at most one, with the exception of a merge (aka meld) operation, can efficiently amortize the cost of the merge under conditions that are true for most implementations of binary heaps and search trees.

High-resolution absolute position detection using a multiple grating

NASA Astrophysics Data System (ADS)

Schilling, Ulrich; Drabarek, Pawel; Kuehnle, Goetz; Tiziani, Hans J.

1996-08-01

To control electro-mechanical engines, high-resolution linear and rotary encoders are needed. Interferometric methods (grating interferometers) promise a resolution of a few nanometers, but have an ambiguity range of some microns. Incremental encoders increase the absolute measurement range by counting the signal periods starting from a defined initial point. In many applications, however, it is not possible to move to this initial point, so that absolute encoders have to be used. Absolute encoders generally have a scale with two or more tracks placed next to each other. Therefore, they use a two-dimensional grating structure to measure a one-dimensional position. We present a new method, which uses a one-dimensional structure to determine the position in one dimension. It is based on a grating with a large grating period up to some millimeters, having the same diffraction efficiency in several predefined diffraction orders (multiple grating). By combining the phase signals of the different diffraction orders, it is possible to establish the position in an absolute range of the grating period with a resolution like incremental grating interferometers. The principal functionality was demonstrated by applying the multiple grating in a heterodyne grating interferometer. The heterodyne frequency was generated by a frequency modulated laser in an unbalanced interferometer. In experimental measurements an absolute range of 8 mm was obtained while achieving a resolution of 10 nm.

Isolation, identification, and cytotoxicity of a new isobenzofuran derivative from marine Streptomyces sp. W007

NASA Astrophysics Data System (ADS)

Zhang, Hongyu; Xie, Zeping; Lou, Tingting; Jiang, Peng

2016-03-01

A new isobenzofuran derivative ( 1) was isolated from the marine Streptomyces sp. W007 and its structure was determined through extensive spectroscopic analyses, including 1D-NMR, 2D-NMR, and ESI-MS. The absolute configuration of compound 1 was determined by a combination of experimental analyses and comparison with reported data, including biogenetic reasoning, J-coupling analysis, NOESY, and 1H-1HCOSY. Compound 1 exhibited no cytotoxicity against human cells of gastric cancer BGC-823, lung cancer A549, and breast cancer MCF7.

Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol

PubMed Central

Zhang, Tao; Paluch, Krzysztof; Scalabrino, Gaia; Frankish, Neil; Healy, Anne-Marie; Sheridan, Helen

2015-01-01

The single enantiomer (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol (2), has recently been synthesized and isolated from its corresponding diastereoisomer (1). The molecular and crystal structures of this novel compound have been fully analyzed. The relative and absolute configurations have been determined by using a combination of analytical tools including X-ray crystallography, X-ray Powder Diffraction (XRPD) analysis and Nuclear Magnetic Resonance (NMR) spectroscopy. PMID:25750458

Enteridinines A and B from slime mold Enteridium lycoperdon.

PubMed

Rezanka, Tomás; Dvoráková, Radmila; Hanus, Lumír O; Dembitsky, Valery M

2004-02-01

Two novel deoxysugar esters, named enteridinines A and B, were isolated from the slime mold Enteridium lycoperdon. Their structures, including the absolute configurations of the hydroxyl and methyl groups, were determined by means of extensive spectroscopic data such as UV, IR, MS, 1D and 2D NMR spectra. Enteridinines A and B have unique structures containing 1,7-dioxaspiro[5.5]undecanes with an O-beta-D-mycarosyl-(1-->4)-beta-D-olivosyl and an O-beta-L-olivomycosyl-(1-->4)-beta-D-amicetosyl-(1-->4)-beta-L-digitoxosyl unit, respectively, and showed growth inhibitory activities against Gram positive bacteria.

Large Magellanic Cloud Distance and Structure from Near-Infrared Red Clump Observations

NASA Astrophysics Data System (ADS)

Koerwer, Joel F.

2009-07-01

We have applied the Infrared Survey Facility Magellanic Clouds Point-Source Catalog to the mapping of the red clump (RC) distance modulus across the Large Magellanic Cloud (LMC). Using the J- (1.25 μm) and H- (1.63 μm) band data to derive a reddening free luminosity function and a theoretical RC absolute magnitude from stellar evolution libraries, we estimate a distance modulus to the LMC of μ = 18.54 ± 0.06. The best fitting plane inclination, i, and the position angle of the line of nodes, phi, have little dependence on the assumed RC absolute magnitude; we find i = 23fdg5 ± 0fdg4 and phi = 154fdg6 ± 1fdg2. It was also noted that many fields included a significant asymptotic giant branch bump population that must be accounted for.

Relative arrival-time upper-mantle tomography and the elusive background mean

NASA Astrophysics Data System (ADS)

Bastow, Ian D.

2012-08-01

The interpretation of seismic tomographic images of upper-mantle seismic wave speed structure is often a matter of considerable debate because the observations can usually be explained by a range of hypotheses, including variable temperature, composition, anisotropy, and the presence of partial melt. An additional problem, often overlooked in tomographic studies using relative as opposed to absolute arrival-times, is the issue of the resulting velocity model's zero mean. In shield areas, for example, relative arrival-time analysis strips off a background mean velocity structure that is markedly fast compared to the global average. Conversely, in active areas, the background mean is often markedly slow compared to the global average. Appreciation of this issue is vital when interpreting seismic tomographic images: 'high' and 'low' velocity anomalies should not necessarily be interpreted, respectively, as 'fast' and 'slow' compared to 'normal mantle'. This issue has been discussed in the seismological literature in detail over the years, yet subsequent tomography studies have still fallen into the trap of mis-interpreting their velocity models. I highlight here some recent examples of this and provide a simple strategy to address the problem using constraints from a recent global tomographic model, and insights from catalogues of absolute traveltime anomalies. Consultation of such absolute measures of seismic wave speed should be routine during regional tomographic studies, if only for the benefit of the broader Earth Science community, who readily follow the red = hot and slow, blue = cold and fast rule of thumb when interpreting the images for themselves.

New isomalabaricane triterpenes from the marine sponge Stelletta globostellata that induce morphological changes in rat fibroblasts.

PubMed

Oku, N; Matsunaga, S; Wada, S i; Watabe, S; Fusetani, N

2000-02-01

Three new isomalabaricane triterpenes, 29-hydroxystelliferin D (2), 3-epi-29-hydroxystelliferin E (3), and 3-epi-29-hydroxystelliferin A (4), were isolated from the marine sponge Stelletta globostellata. Their structures, including absolute stereochemistry, were determined on the basis of spectral data and chemical methods. Rat fibroblasts treated with 0.2 microM of 2-4 exhibited unusual morphological characteristics, followed by death in 5 days.

Solid state structure and absolute configuration of filifolinol acetate.

PubMed

Muñoz, Marcelo A; Urzúa, Alejandro; Echeverría, Javier; Modak, Brenda; Joseph-Nathan, Pedro

2011-06-01

Careful reevaluation of the 1H and 13C NMR spectroscopic data of filifolinol acetate (4) led to the reassignment of the C-10 and C-11 signals, as well as the gem-dimethyl signals. Single crystal X-ray analysis provided an independent structural confirmation of 4, and comparison of the experimental vibrational circular dichroism spectrum with calculations performed using density functional theory provided the absolute configuration of this 3H-spiro-1-benzofuran-2,1'-cyclohexane and related molecules.

System and method for calibrating a rotary absolute position sensor

NASA Technical Reports Server (NTRS)

Davis, Donald R. (Inventor); Permenter, Frank Noble (Inventor); Radford, Nicolaus A (Inventor)

2012-01-01

A system includes a rotary device, a rotary absolute position (RAP) sensor generating encoded pairs of voltage signals describing positional data of the rotary device, a host machine, and an algorithm. The algorithm calculates calibration parameters usable to determine an absolute position of the rotary device using the encoded pairs, and is adapted for linearly-mapping an ellipse defined by the encoded pairs to thereby calculate the calibration parameters. A method of calibrating the RAP sensor includes measuring the rotary position as encoded pairs of voltage signals, linearly-mapping an ellipse defined by the encoded pairs to thereby calculate the calibration parameters, and calculating an absolute position of the rotary device using the calibration parameters. The calibration parameters include a positive definite matrix (A) and a center point (q) of the ellipse. The voltage signals may include an encoded sine and cosine of a rotary angle of the rotary device.

The geometric structures, vibrational frequencies and redox properties of the actinyl coordination complexes ([AnO2(L)n](m); An = U, Pu, Np; L = H2O, Cl-, CO3(2-), CH3CO2(-), OH-) in aqueous solution, studied by density functional theory methods.

PubMed

Austin, Jonathan P; Sundararajan, Mahesh; Vincent, Mark A; Hillier, Ian H

2009-08-14

The geometric and electronic structures of the aqua, chloro, acetato, hydroxo and carbonato complexes of U, Np and Pu in both their (VI) and (V) oxidation states, and in an aqueous environment, have been studied using density functional theory methods. We have obtained micro-solvated structures derived from molecular dynamics simulations and included the bulk solvent using a continuum model. We find that two different hydrogen bonding patterns involving the axial actinyl oxygen atoms are sometimes possible, and may give rise to different An-O bond lengths and vibrational frequencies. These alternative structures are reflected in the experimental An-O bond lengths of the aqua and carbonato complexes. The variation of the redox potential of the uranyl complexes with the different ligands has been studied using both BP86 and B3LYP functionals. The relative values for the four uranium complexes having anionic ligands are in surprisingly good agreement with experiment, although the absolute values are in error by approximately 1 eV. The absolute error for the aqua species is much less, leading to an incorrect order of the redox potentials of the aqua and chloro species.

Beyond lognormal inequality: The Lorenz Flow Structure

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2016-11-01

Observed from a socioeconomic perspective, the intrinsic inequality of the lognormal law happens to manifest a flow generated by an underlying ordinary differential equation. In this paper we extend this feature of the lognormal law to a general ;Lorenz Flow Structure; of Lorenz curves-objects that quantify socioeconomic inequality. The Lorenz Flow Structure establishes a general framework of size distributions that span continuous spectra of socioeconomic states ranging from the pure-communism extreme to the absolute-monarchy extreme. This study introduces and explores the Lorenz Flow Structure, analyzes its statistical properties and its inequality properties, unveils the unique role of the lognormal law within this general structure, and presents various examples of this general structure. Beyond the lognormal law, the examples include the inverse-Pareto and Pareto laws-which often govern the tails of composite size distributions.

Summary of the Third AIAA CFD Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Vassberg, John C.; Tinoco, Edward N.; Mani, Mori; Brodersen, Olaf P.; Eisfeld, Bernhard; Wahls, Richard A.; Morrison, Joseph H.; Zickuhr, Tom; Laflin, Kelly R.; Mavriplis, DImitri J.

2007-01-01

The workshop focused on the prediction of both absolute and differential drag levels for wing-body and wing-al;one configurations of that are representative of transonic transport aircraft. The baseline DLR-F6 wing-body geometry, previously utilized in DPW-II, is also augmented with a side-body fairing to help reduce the complexity of the flow physics in the wing-body juncture region. In addition, two new wing-alone geometries have been developed for the DPW-II. Numerical calculations are performed using industry-relevant test cases that include lift-specific and fixed-alpha flight conditions, as well as full drag polars. Drag, lift, and pitching moment predictions from previous Reynolds-Averaged Navier-Stokes computational fluid Dynamics Methods are presented, focused on fully-turbulent flows. Solutions are performed on structured, unstructured, and hybrid grid systems. The structured grid sets include point-matched multi-block meshes and over-set grid systems. The unstructured and hybrid grid sets are comprised of tetrahedral, pyramid, and prismatic elements. Effort was made to provide a high-quality and parametrically consistent family of grids for each grid type about each configuration under study. The wing-body families are comprised of a coarse, medium, and fine grid, while the wing-alone families also include an extra-fine mesh. These mesh sequences are utilized to help determine how the provided flow solutions fair with respect to asymptotic grid convergence, and are used to estimate an absolute drag of each configuration.

Absolute Side-chain Structure at Position 13 Is Required for the Inhibitory Activity of Bromein*

PubMed Central

Sawano, Yoriko; Hatano, Ken-ichi; Miyakawa, Takuya; Tanokura, Masaru

2008-01-01

Bromelain isoinhibitor (bromein), a cysteine proteinase inhibitor from pineapple stem, has a unique double-chain structure. The bromein precursor protein includes three homologous inhibitor domains, each containing an interchain peptide between the light and heavy chains. The interchain peptide in the single-chain precursor is immediately processed by bromelain, a target proteinase. In the present study, to clarify the essential inhibitory site of bromein, we constructed 44 kinds of site-directed and deletion mutants and investigated the inhibitory activity of each toward bromelain. As a result, the complete chemical structure of Leu13 in the light chain was revealed to be essential for inhibition. Pro12 prior to the leucine residue was also involved in the inhibitory activity and would control the location of the leucine side chain by the fixed φ dihedral angle of proline. Furthermore, the five-residue length of the interchain peptide was strictly required for the inhibitory activity. On the other hand, no inhibitory activity against bromelain was observed by the substitution of proline for the N terminus residue Thr15 of the interchain peptide. In summary, these mutational analyses of bromein demonstrated that the appropriate position and conformation of Leu13 are absolutely crucial for bromelain inhibition. PMID:18948264

Veridical mapping in savant abilities, absolute pitch, and synesthesia: an autism case study

PubMed Central

Bouvet, Lucie; Donnadieu, Sophie; Valdois, Sylviane; Caron, Chantal; Dawson, Michelle; Mottron, Laurent

2014-01-01

An enhanced role and autonomy of perception are prominent in autism. Furthermore, savant abilities, absolute pitch, and synesthesia are all more commonly found in autistic individuals than in the typical population. The mechanism of veridical mapping has been proposed to account for how enhanced perception in autism leads to the high prevalence of these three phenomena and their structural similarity. Veridical mapping entails functional rededication of perceptual brain regions to higher order cognitive operations, allowing the enhanced detection and memorization of isomorphisms between perceptual and non-perceptual structures across multiple scales. In this paper, we present FC, an autistic individual who possesses several savant abilities in addition to both absolute pitch and synesthesia-like associations. The co-occurrence in FC of abilities, some of them rare, which share the same structure, as well as FC’s own accounts of their development, together suggest the importance of veridical mapping in the atypical range and nature of abilities displayed by autistic people. PMID:24600416

Seismic Velocity Structure of the San Jacinto Fault Zone from Double-Difference Tomography and Expected Distribution of Head Waves

NASA Astrophysics Data System (ADS)

Allam, A. A.; Ben-Zion, Y.

2010-12-01

We present initial results of double-difference tomographic images for the velocity structure of the San Jacinto Fault Zone (SJFZ), and related 3D forward calculations of waves in the immediate vicinity of the SJFZ. We begin by discretizing the SJFZ region with a uniform grid spacing of 500 m, extending 140 km by 80 km and down to 25 km depth. We adopt the layered 1D model of Dreger & Helmberger (1993) as a starting model for this region, and invert for 3D distributions of VP and VS with the double-difference tomography of Zhang & Thurber (2003), which makes use of absolute event-station travel times as well as relative travel times for phases from nearby event pairs. Absolute arrival times of over 78,000 P- and S-wave phase picks generated by 1127 earthquakes and recorded at 70 stations near the SJFZ are used. Only data from events with Mw greater than 2.2 are used. Though ray coverage is limited at shallow depths, we obtain relatively high-resolution images from 4 to 13 km which show a clear contrast in velocity across the NW section of the SJFZ. To the SE, in the so-called trifurcation area, the structure is more complicated, though station coverage is poorest in this region. Using the obtained image, the current event locations, and the 3D finite-difference code of Olsen (1994), we estimate the likely distributions of fault zone head waves as a tool for future deployment of instrument. We plan to conduct further studies by including more travel time picks, including those from newly-deployed stations in the SJFZ area, in order to gain a more accurate image of the velocity structure.

Absolute single-photoionization cross sections of Se 2 + : Experiment and theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macaluso, D. A.; Aguilar, A.; Kilcoyne, A. L. D.

2015-12-28

Absolute single-photoionization cross-section measurements for Se 2+ ions were performed at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged-beams photo-ion technique. Measurements were made at a photon energy resolution of 24 ± 3 meV in the photon energy range 23.5-42.5 eV, spanning the ground state and low-lying metastable state ionization thresholds. Here, to clearly resolve the resonant structure near the ground-state threshold, high-resolution measurements were made from 30.0 to 31.9 eV at a photon energy resolution of 6.7 ± 0.7 meV. Numerous resonance features observed in the experimental spectra are assigned and their energies and quantummore » defects tabulated. The high-resolution cross-section measurements are compared with large-scale, state-of-the-art theoretical cross-section calculations obtained from the Dirac Coulomb R -matrix method. Suitable agreement is obtained over the entire photon energy range investigated. In conclusion, these results are an experimental determination of the absolute photoionization cross section of doubly ionized selenium and include a detailed analysis of the photoionization resonance spectrum of this ion.« less

Model assessment using a multi-metric ranking technique

NASA Astrophysics Data System (ADS)

Fitzpatrick, P. J.; Lau, Y.; Alaka, G.; Marks, F.

2017-12-01

Validation comparisons of multiple models presents challenges when skill levels are similar, especially in regimes dominated by the climatological mean. Assessing skill separation will require advanced validation metrics and identifying adeptness in extreme events, but maintain simplicity for management decisions. Flexibility for operations is also an asset. This work postulates a weighted tally and consolidation technique which ranks results by multiple types of metrics. Variables include absolute error, bias, acceptable absolute error percentages, outlier metrics, model efficiency, Pearson correlation, Kendall's Tau, reliability Index, multiplicative gross error, and root mean squared differences. Other metrics, such as root mean square difference and rank correlation were also explored, but removed when the information was discovered to be generally duplicative to other metrics. While equal weights are applied, weights could be altered depending for preferred metrics. Two examples are shown comparing ocean models' currents and tropical cyclone products, including experimental products. The importance of using magnitude and direction for tropical cyclone track forecasts instead of distance, along-track, and cross-track are discussed. Tropical cyclone intensity and structure prediction are also assessed. Vector correlations are not included in the ranking process, but found useful in an independent context, and will be briefly reported.

Easy Absolute Values? Absolutely

ERIC Educational Resources Information Center

Taylor, Sharon E.; Mittag, Kathleen Cage

2015-01-01

The authors teach a problem-solving course for preservice middle-grades education majors that includes concepts dealing with absolute-value computations, equations, and inequalities. Many of these students like mathematics and plan to teach it, so they are adept at symbolic manipulations. Getting them to think differently about a concept that they…

Characteristics of the Central Costa Rican Seismogenic Zone Determined from Microseismicity

NASA Astrophysics Data System (ADS)

DeShon, H. R.; Schwartz, S. Y.; Bilek, S. L.; Dorman, L. M.; Protti, M.; Gonzalez, V.

2001-12-01

Large or great subduction zone thrust earthquakes commonly nucleate within the seismogenic zone, a region of unstable slip on or near the converging plate interface. A better understanding of the mechanical, thermal and hydrothermal processes controlling seismic behavior in these regions requires accurate earthquake locations. Using arrival time data from an onland and offshore local seismic array and advanced 3D absolute and relative earthquake location techniques, we locate interplate seismic activity northwest of the Osa Peninsula, Costa Rica. We present high resolution locations of ~600 aftershocks of the 8/20/1999 Mw=6.9 underthrusting earthquake recorded by our local network between September and December 1999. We have developed a 3D velocity model based on published refraction lines and located events within a subducting slab geometry using QUAKE3D, a finite-differences based grid-searching algorithm (Nelson & Vidale, 1990). These absolute locations are input into HYPODD, a location program that uses P and S wave arrival time differences from nearby events and solves for the best relative locations (Waldhauser & Ellsworth, 2000). The pattern of relative earthquake locations is tied to an absolute reference using the absolute positions of the best-located earthquakes in the entire population. By using these programs in parallel, we minimize location errors, retain the aftershock pattern and provide the best absolute locations within a complex subduction geometry. We use the resulting seismicity pattern to determine characteristics of the seismogenic zone including geometry and up- and down-dip limits. These are compared with thermal models of the Middle America subduction zone, structures of the upper and lower plates, and characteristics of the Nankai seismogenic zone.

Total synthesis and structural revision of the marine macrolide neopeltolide.

PubMed

Custar, Daniel W; Zabawa, Thomas P; Scheidt, Karl A

2008-01-23

The total synthesis and structural revision of the marine natural product neopeltolide is reported. The key bond-forming step involves a Lewis acid-catalyzed intramolecular cyclization to install the tetrahydropyran ring and the macrocycle simultaneously. This type of cyclization is the first of its kind and assembles the carbon backbone of the natural product efficiently. The synthesis of the reported structure revealed differences in the data between the natural and synthetic material. After significant investigation, the diastereomeric molecule with the C11 and C13 configurations inverted was synthesized using the initial route. This compound matches the data reported for neopeltolide (1H, 13C, HRMS, IR, NOESY, [alpha]), thereby establishing the correct overall structure for this potent macrolide natural product, including the relative and absolute stereochemistry.

Withanolides from the stems and leaves of Physalis pubescens and their cytotoxic activity.

PubMed

Xia, Guiyang; Li, Yang; Sun, Jiawen; Wang, Liqing; Tang, Xiaolong; Lin, Bin; Kang, Ning; Huang, Jian; Chen, Lixia; Qiu, Feng

2016-11-01

A phytochemical study of Physalis pubescens L. afforded twelve compounds, including six new withanolides (1, 4, and 6i-9), four new withanolide glucosides (2, 3, 5, and 6), and two known withanolides (10 and 11). Their structures were established via extensive spectroscopic analysis. The absolute configuration of 3 was assigned using X-ray crystallography, and the absolute configurations of the 1,2-diol moiety in 1 were determined using the in situ dimolybdenum electronic circular dichroism method. Compounds 7, 9, and 10 exhibited significant cytotoxicity against human prostate cancer cells (C4-2B and 22Rvl), human renal carcinoma cells (786-O, A-498, Caki-2, and ACHN), human melanoma cells (A375 and A375-S2), and human normal hepatic cell line (L02) with IC 50 values in the range of 0.17-5.30μM. Copyright © 2016 Elsevier Inc. All rights reserved.

Line-scan spectrum-encoded imaging by dual-comb interferometry.

PubMed

Wang, Chao; Deng, Zejiang; Gu, Chenglin; Liu, Yang; Luo, Daping; Zhu, Zhiwei; Li, Wenxue; Zeng, Heping

2018-04-01

Herein, the method of spectrum-encoded dual-comb interferometry is introduced to measure a three-dimensional (3-D) profile with absolute distance information. By combining spectral encoding for wavelength-to-space mapping, dual-comb interferometry for decoding and optical reference for calibration, this system can obtain a 3-D profile of an object at a stand-off distance of 114 mm with a depth precision of 12 μm. With the help of the reference arm, the absolute distance, reflectivity distribution, and depth information are simultaneously measured at a 5 kHz line-scan rate with free-running carrier-envelope offset frequencies. To verify the concept, experiments are conducted with multiple objects, including a resolution test chart, a three-stair structure, and a designed "ECNU" letter chain. The results show a horizontal resolution of ∼22  μm and a measurement range of 1.93 mm.

Absolute fragmentation cross sections in atom-molecule collisions: Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, T.; Gatchell, M.; Stockett, M. H.

2014-06-14

We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH{sup +}) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections (including statistical fragmentation) for 110 eV PAH/PAH{sup +} + He collisions, and show that they compare well with experimental results. We demonstrate that non-statistical fragmentation becomes dominant for large PAHs and that it yields highly reactive fragments forming strong covalent bonds with atoms (H and N) and molecules (C{sub 6}H{sub 5}). Thus nonstatistical fragmentation may be an effectivemore » initial step in the formation of, e.g., Polycyclic Aromatic Nitrogen Heterocycles (PANHs). This relates to recent discussions on the evolution of PAHNs in space and the reactivities of defect graphene structures.« less

Morphology of the interstellar cooling lines detected by COBE

NASA Technical Reports Server (NTRS)

Bennett, C. L.; Fixsen, D. J.; Hinshaw, G.; Mather, J. C.; Moseley, S. H.; Wright, E. L.; Eplee, R. E., Jr.; Gales, J.; Hewagama, T.; Isaacman, R. B.

1994-01-01

The Far-Infrared Absolute Spectrophotometer (FIRAS) on the COBE satellite has conducted an unbiased survey of the far-infrared emission from our Galaxy. The first results of this survey were reported by Wright et al. (1991). We report the results of new analyses of this spectral survey, which includes emission lines from 158 micrometer C(+), 122 and 205 micrometer N(+), 370 and 609 micrometer C(0), and CO J = 2 goes to 1 through J = 5 goes to 4. We report the morphological distribution along the Galactic plane (b = 0 deg) of the spectral line emission, and the high Galactic latitude intensities of the C(+) and 205 micrometer N(+) emission. In the Galactic plane the 205 micrometer line of N(+) generally follows the 158 micrometer C(+) line distribution, but the intensities scale as I(N(+) 205 micrometer) varies as I(C(+) 158 micrometer)(exp 1.5) toward the inner Galaxy. The high Galactic latitude intensity of the 158 micrometer fine-structure transition from C(+) is I(C(+) 158 micrometer) = (1.43 +/- 0.12) x 10(exp -6) csc (absolute value of b) ergs/sq cm s sr for absolute value of b greater than 15 deg, and it decreases more rapidly than the far-infrared intensity with increasing Galactic latitude. C(+) and neutral atomic hydrogen emission are closely correlated with a C(+) cooling rate of (2.65 +/- 0.15) x 10(exp -26) ergs/s. We conclude that this emission arises almost entirely from the cold neutral medium. The high Galactic latitude intensity of the 205 micrometer fine-structure transition from N(+) is I(N(+) 205 micrometer) = (4 +/- 1) x 10(exp -8) csc (absolute value of b) ergs/((sq cm)(s)(sr)) arising entirely from the warm ionized medium. We estimate the total ionizing photon rate in the Galaxy to be phi = 3.5 x 10(exp 53) ionizing photons per second, based on the 205 micrometer N(+) transition.

New Naphthoquinone Terpenoids from Marine Actinobacterium, Streptomyces sp. CNQ-509

PubMed Central

Kwon, Hak Cheol

2018-01-01

A member of the marine streptomycete clade MAR4, Streptomyces sp. CNQ-509, has genetic potential for the biosynthesis of hybrid isoprenoids and produces several meroterpenoids such as naphterpin, nitropyrrolin and marinophenazine. Our research on the strain CNQ-509 led to the isolation of two new naphterpin derivatives (1 and 2) comprised of naphthoquinone and geranyl moieties along with the known terpenoid, debromomarinone. The two-dimensional structure of these compounds was determined through spectral data analysis using data from NMR, MS and UV spectroscopy. Furthermore, the full structures of 1 and 2 including absolute configurations were unequivocally established by a combination of NMR experiments and chemical modifications. PMID:29534540

Polypropionate lactones of deoxysugars glycosides from slime mold Lycogala epidendrum.

PubMed

Rezanka, Tomás; Dvoráková, Radmila

2003-08-01

Two novel polypropionate lactone glycosides (1 and 2, i.e. lycogalinosides A and B) were isolated from the slime mold Lycogala epidendrum. Their structures, including the absolute configurations of the hydroxyl and methyls groups, were determined by means of extensive spectroscopic data such as mass, IR, UV, and 1D and 2D NMR spectra and chemical degradation followed by spectroscopic and chromatographic analysis. Compounds 1 and 2 are unique in structure containing a 2-deoxy-alpha-L-fucopyranosyl-(1-4)-6-deoxy-beta-D-gulopyranosyl unit and a beta-D-olivopyranosyl-(1-4)-beta-D-fucopyranosyl unit, respectively, and showed growth inhibitory activities against Gram-positive bacteria.

Bridge Structure Deformation Prediction Based on GNSS Data Using Kalman-ARIMA-GARCH Model

PubMed Central

Li, Xiaoqing; Wang, Yu

2018-01-01

Bridges are an essential part of the ground transportation system. Health monitoring is fundamentally important for the safety and service life of bridges. A large amount of structural information is obtained from various sensors using sensing technology, and the data processing has become a challenging issue. To improve the prediction accuracy of bridge structure deformation based on data mining and to accurately evaluate the time-varying characteristics of bridge structure performance evolution, this paper proposes a new method for bridge structure deformation prediction, which integrates the Kalman filter, autoregressive integrated moving average model (ARIMA), and generalized autoregressive conditional heteroskedasticity (GARCH). Firstly, the raw deformation data is directly pre-processed using the Kalman filter to reduce the noise. After that, the linear recursive ARIMA model is established to analyze and predict the structure deformation. Finally, the nonlinear recursive GARCH model is introduced to further improve the accuracy of the prediction. Simulation results based on measured sensor data from the Global Navigation Satellite System (GNSS) deformation monitoring system demonstrated that: (1) the Kalman filter is capable of denoising the bridge deformation monitoring data; (2) the prediction accuracy of the proposed Kalman-ARIMA-GARCH model is satisfactory, where the mean absolute error increases only from 3.402 mm to 5.847 mm with the increment of the prediction step; and (3) in comparision to the Kalman-ARIMA model, the Kalman-ARIMA-GARCH model results in superior prediction accuracy as it includes partial nonlinear characteristics (heteroscedasticity); the mean absolute error of five-step prediction using the proposed model is improved by 10.12%. This paper provides a new way for structural behavior prediction based on data processing, which can lay a foundation for the early warning of bridge health monitoring system based on sensor data using sensing technology. PMID:29351254

QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation.

PubMed

Votano, Joseph R; Parham, Marc; Hall, L Mark; Hall, Lowell H; Kier, Lemont B; Oloff, Scott; Tropsha, Alexander

2006-11-30

Four modeling techniques, using topological descriptors to represent molecular structure, were employed to produce models of human serum protein binding (% bound) on a data set of 1008 experimental values, carefully screened from publicly available sources. To our knowledge, this data is the largest set on human serum protein binding reported for QSAR modeling. The data was partitioned into a training set of 808 compounds and an external validation test set of 200 compounds. Partitioning was accomplished by clustering the compounds in a structure descriptor space so that random sampling of 20% of the whole data set produced an external test set that is a good representative of the training set with respect to both structure and protein binding values. The four modeling techniques include multiple linear regression (MLR), artificial neural networks (ANN), k-nearest neighbors (kNN), and support vector machines (SVM). With the exception of the MLR model, the ANN, kNN, and SVM QSARs were ensemble models. Training set correlation coefficients and mean absolute error ranged from r2=0.90 and MAE=7.6 for ANN to r2=0.61 and MAE=16.2 for MLR. Prediction results from the validation set yielded correlation coefficients and mean absolute errors which ranged from r2=0.70 and MAE=14.1 for ANN to a low of r2=0.59 and MAE=18.3 for the SVM model. Structure descriptors that contribute significantly to the models are discussed and compared with those found in other published models. For the ANN model, structure descriptor trends with respect to their affects on predicted protein binding can assist the chemist in structure modification during the drug design process.

Bridge Structure Deformation Prediction Based on GNSS Data Using Kalman-ARIMA-GARCH Model.

PubMed

Xin, Jingzhou; Zhou, Jianting; Yang, Simon X; Li, Xiaoqing; Wang, Yu

2018-01-19

Bridges are an essential part of the ground transportation system. Health monitoring is fundamentally important for the safety and service life of bridges. A large amount of structural information is obtained from various sensors using sensing technology, and the data processing has become a challenging issue. To improve the prediction accuracy of bridge structure deformation based on data mining and to accurately evaluate the time-varying characteristics of bridge structure performance evolution, this paper proposes a new method for bridge structure deformation prediction, which integrates the Kalman filter, autoregressive integrated moving average model (ARIMA), and generalized autoregressive conditional heteroskedasticity (GARCH). Firstly, the raw deformation data is directly pre-processed using the Kalman filter to reduce the noise. After that, the linear recursive ARIMA model is established to analyze and predict the structure deformation. Finally, the nonlinear recursive GARCH model is introduced to further improve the accuracy of the prediction. Simulation results based on measured sensor data from the Global Navigation Satellite System (GNSS) deformation monitoring system demonstrated that: (1) the Kalman filter is capable of denoising the bridge deformation monitoring data; (2) the prediction accuracy of the proposed Kalman-ARIMA-GARCH model is satisfactory, where the mean absolute error increases only from 3.402 mm to 5.847 mm with the increment of the prediction step; and (3) in comparision to the Kalman-ARIMA model, the Kalman-ARIMA-GARCH model results in superior prediction accuracy as it includes partial nonlinear characteristics (heteroscedasticity); the mean absolute error of five-step prediction using the proposed model is improved by 10.12%. This paper provides a new way for structural behavior prediction based on data processing, which can lay a foundation for the early warning of bridge health monitoring system based on sensor data using sensing technology.

Assessing Suturing Skills in a Self-Guided Learning Setting: Absolute Symmetry Error

ERIC Educational Resources Information Center

Brydges, Ryan; Carnahan, Heather; Dubrowski, Adam

2009-01-01

Directed self-guidance, whereby trainees independently practice a skill-set in a structured setting, may be an effective technique for novice training. Currently, however, most evaluation methods require an expert to be present during practice. The study aim was to determine if absolute symmetry error, a clinically important measure that can be…

1,3-Oxazin-6-one Derivatives and Bohemamine-Type Pyrrolizidine Alkaloids from a Marine-Derived Streptomyces spinoverrucosus

PubMed Central

2015-01-01

Two new 1,3-oxazin-6-one derivatives (1 and 2) and six new bohemamine-type pyrrolizidine alkaloids (3–8) were isolated from the marine-derived Streptomyces spinoverrucosus strain SNB-048. Their structures including the absolute configurations were fully elucidated on the basis of spectroscopic analysis, ECD spectra, quantum chemical calculations, and chemical methods. Compounds 1 and 2 possess a γ-lactam moiety and a 1,3-oxazin-6-one system. PMID:26489038

Documenting helicopter operations from an energy standpoint

NASA Technical Reports Server (NTRS)

Davis, S. J.; Stepniewski, W. Z.

1974-01-01

Results are presented of a study of the relative and absolute energy consumption of helicopters, including limited comparisons with fixed-wing aircraft, and selected surface transportation vehicles. Additional comparisons were made to determine the level of reduction in energy consumption expected from the application of advanced technologies to the helicopter design and sizing process. It was found that improvements in helicopter consumption characteristics can be accomplished through the utilization of advanced technology to reduce drag, structures weight, and powerplant fuel consumption.

Three New Cytotoxic Withanolides from the Chinese Folk Medicine Physalis angulata.

PubMed

Gao, Cai-Yun; Ma, Ting; Luo, Jun; Kong, Ling-Yi

2015-12-01

Physagulides M-O, three new withanolides (1-3), were isolated from the aerial parts of Physalis angulata L. Their structures were elucidated through extensive spectroscopic techniques, including 1D and 2D NMR, and HRESIMS. The absolute configurations (22-R) of these new compounds were determined by CD analysis. Compounds 1 and 3 showed significant selective cytotoxic activities on the MG-63 cell line, with IC50 values of 4.28 and 5.44 μM, respectively.

(+)- and (-)-Cajanusine, a pair of new enantiomeric stilbene dimers with a new skeleton from the leaves of Cajanus cajan.

PubMed

Li, Xiao-Long; Zhao, Bing-Xin; Huang, Xiao-Jun; Zhang, Dong-Mei; Jiang, Ren-Wang; Li, Ying-Jie; Jian, Yu-Qing; Wang, Ying; Li, Yao-Lan; Ye, Wen-Cai

2014-01-03

A pair of new enantiomeric stilbene dimers, (+)- and (-)-cajanusine [(+)-1 and (-)-1], with a unique coupling pattern were isolated from the leaves of Cajanus cajan . Their structures including absolute configurations were elucidated on the basis of comprehensive spectroscopic and single-crystal X-ray diffraction analyses, as well as CD calculations. The plausible biogenetic pathway of 1 was also proposed. Additionally, (±)-1, (+)-1, and (-)-1 exhibited inhibitory activities on the growth of human hepatocellular carcinoma cells.

Assessing the effects of microbial metabolism and metabolities on reservoir pore structure

USGS Publications Warehouse

Udegbunam, E.O.; Adkins, J.P.; Knapp, R.M.; McInerney, M.J.; Tanner, R.S.

1991-01-01

The effect of microbial treatment on pore structure of sandstone and carbonatereservoirs was determined. Understanding how different bacterial strains and their metabolic bioproducts affect reservoir pore structure will permit the prudent application of microorganisms for enhanced oil recovery. The microbial strains tested included Clostridium acetobutylicum, a polymer-producing Bacillus strain, and an unidentified halophilic anaerobe that mainly produced acids and gases. Electrical conductivity, absolute permeability, porosity and centrifuge capillary pressure were used to examine rock pore structures. Modifications of the pore structure observed in the laboratory cores included pore enlargement due to acid dissolution of carbonates and poare throat reduction due to biomass plugging. This paper shows that careful selection of microbes based on proper understanding of the reservoir petrophysical characteristics is necessary for applications of microbially enhanced oil recovery. These methods and results can be useful to field operators and laboratory researchers involved in design and screening of reservoirs for MEOR. The methods are also applicable in evaluation of formation damage caused by drilling, injection or completion fluids or stimulation caused by acids.

The rate of cis-trans conformation errors is increasing in low-resolution crystal structures.

PubMed

Croll, Tristan Ian

2015-03-01

Cis-peptide bonds (with the exception of X-Pro) are exceedingly rare in native protein structures, yet a check for these is not currently included in the standard workflow for some common crystallography packages nor in the automated quality checks that are applied during submission to the Protein Data Bank. This appears to be leading to a growing rate of inclusion of spurious cis-peptide bonds in low-resolution structures both in absolute terms and as a fraction of solved residues. Most concerningly, it is possible for structures to contain very large numbers (>1%) of spurious cis-peptide bonds while still achieving excellent quality reports from MolProbity, leading to concerns that ignoring such errors is allowing software to overfit maps without producing telltale errors in, for example, the Ramachandran plot.

Penicyrones A and B, an epimeric pair of α-pyrone-type polyketides produced by the marine-derived Penicillium sp.

PubMed

Bu, Ying-Yue; Yamazaki, Hiroyuki; Takahashi, Ohgi; Kirikoshi, Ryota; Ukai, Kazuyo; Namikoshi, Michio

2016-01-01

Two polyketides containing an α-pyrone unit, named penicyrones A (1) and B (2), were isolated from a culture broth of the marine-derived Penicillium sp. TPU1271 together with nine known compounds: verrucosidin (3), fructigenine A (4), verrucofortine (5), cyclo-(L-Trp-L-Phe) (6), cyclopenol (7), cyclopenin (8), penipratynolene (9), aspterric acid (10) and viridicatol (11). The structures of 1 and 2 were elucidated by analyzing the spectroscopic data of 1, 2 and their O-acetyl derivatives (1a and 2a). Compounds 1 and 2 were epimers of each other at the C-9 position. The absolute configurations of 1 and 2 were assigned on the basis of NOESY data for 1, 2, 1a and 2a, a conformational analysis and the identity of the biogenetic pathway with verrucosidin (3). The planar structure of penicyrones was found in the SciFinder as a compound in the commercial chemical libraries; however, the stereostructure and spectroscopic data were not available. Therefore, this is the first study on the isolation and structure elucidation, including the absolute configurations, of penicyrones A (1) and B (2) as fungal metabolites. Compound 3 exhibited growth inhibitory activity against Mycobacterium smegmatis at 40 μg per disc (inhibition zone of 11 mm). This is the first study to demonstrate that verrucosidin (3) exhibited anti-mycobacterial activity.

Time-resolved imaging refractometry of microbicidal films using quantitative phase microscopy.

PubMed

Rinehart, Matthew T; Drake, Tyler K; Robles, Francisco E; Rohan, Lisa C; Katz, David; Wax, Adam

2011-12-01

Quantitative phase microscopy is applied to image temporal changes in the refractive index (RI) distributions of solutions created by microbicidal films undergoing hydration. We present a novel method of using an engineered polydimethylsiloxane structure as a static phase reference to facilitate calibration of the absolute RI across the entire field. We present a study of dynamic structural changes in microbicidal films during hydration and subsequent dissolution. With assumptions about the smoothness of the phase changes induced by these films, we calculate absolute changes in the percentage of film in regions across the field of view.

Time-resolved imaging refractometry of microbicidal films using quantitative phase microscopy

PubMed Central

Rinehart, Matthew T.; Drake, Tyler K.; Robles, Francisco E.; Rohan, Lisa C.; Katz, David; Wax, Adam

2011-01-01

Quantitative phase microscopy is applied to image temporal changes in the refractive index (RI) distributions of solutions created by microbicidal films undergoing hydration. We present a novel method of using an engineered polydimethylsiloxane structure as a static phase reference to facilitate calibration of the absolute RI across the entire field. We present a study of dynamic structural changes in microbicidal films during hydration and subsequent dissolution. With assumptions about the smoothness of the phase changes induced by these films, we calculate absolute changes in the percentage of film in regions across the field of view. PMID:22191912

Characterization of 3-Aminopropyl Oligosilsesquioxane.

PubMed

Dimzon, Ian Ken D; Frömel, Tobias; Knepper, Thomas P

2016-05-03

The synthesis routes in the production of polysilsesquioxanes have largely relied upon in situ formations. This perspective often leads to polymers in which their basic structures including molecular weight and functionality are unknown [ Lichtenhan , J. D. ; et al. Silsesquioxane-siloxane copolymers from polyhedral silsesquioxanes Macromolecules , 1993 , 26 , 2141 - 2142 , http://dx.doi.org/10.1021/ma0060a053 ]. For a better understanding of the polysilsesquioxane properties and applications, there is a need to develop more techniques to enable their chemical characterization. An innovative method was developed to determine the molecular weight distribution (MWD) of an oligosilsesquioxane synthesized in-house from (3-aminopropyl)triethoxysilane. This method, which can be applied to other silsesquioxanes, siloxanes, and similar oligomers and polymers, involved separation using high performance liquid chromatography (HPLC) and detection using mass spectrometry (MS) with electrospray ionization (ESI). The novelty of the method lies on the unique determination of the absolute concentrations of the individual homologues present in the sample formulation. The use of absolute concentrations is necessary in estimating the MWD of the formulation when relative percentage, which is based solely on mass spectral ion intensities, becomes irrelevant due to the disproportionate response factors of the homologues. Determination of absolute concentration requires the use of single-homologue calibration standards. Because of commercial unavailability, these standards were prepared by efficient fractionation of the original formulation.

Retinal thickness changes after phacoemulsification

PubMed Central

Pardianto, Gede; Moeloek, Nila; Reveny, Julia; Wage, Sutarman; Satari, Imsyah; Sembiring, Rosita; Srisamran, Nuttamon

2013-01-01

Purpose To determine the effect of phacoemulsification on macular volume and thickness using spectral domain optical coherence tomography examinations. Methods Twenty-seven eyes of 27 subjects who underwent phacoemulsification were studied. All nine areas of the macula were examined by spectral domain optical coherence tomography preoperatively and 2 months postoperatively. Effective phacoemulsification time and absolute phacoemulsification time were also recorded. Results There were statistically significant differences in macular thickness between preoperative and postoperative spectral domain optical coherence tomography examinations in nine areas including macular volume. In the paracentral macular area, the thickness of three quadrants significantly increased (superior P=0.015; temporal P=0.001; and nasal P=0.023). Peripheral macular thickness also increased significantly in the superior (P=0.05) and temporal macular areas (P<0.001). The macular volume increased significantly after phacoemulsification (P<0.001). There were no correlations between absolute/effective phacoemulsification time and macular cellular structures (P>0.05), but a significant correlation (P=0.011) was found between absolute phacoemulsification time and change in macular volume. Conclusion Macular thickness changes in the nasal, superior, and temporal quadrants of the paracentral area and the superior and temporal quadrants of the peripheral area, as well as macular volume, may be used as detailed biomarkers to measure the effects of intraocular pressure fluctuations and maneuvers in phacoemulsification intraocular surgeries. PMID:24235812

Global thermal models of the lithosphere

NASA Astrophysics Data System (ADS)

Cammarano, F.; Guerri, M.

2017-12-01

Unraveling the thermal structure of the outermost shell of our planet is key for understanding its evolution. We obtain temperatures from interpretation of global shear-velocity (VS) models. Long-wavelength thermal structure is well determined by seismic models and only slightly affected by compositional effects and uncertainties in mineral-physics properties. Absolute temperatures and gradients with depth, however, are not well constrained. Adding constraints from petrology, heat-flow observations and thermal evolution of oceanic lithosphere help to better estimate absolute temperatures in the top part of the lithosphere. We produce global thermal models of the lithosphere at different spatial resolution, up to spherical-harmonics degree 24, and provide estimated standard deviations. We provide purely seismic thermal (TS) model and hybrid models where temperatures are corrected with steady-state conductive geotherms on continents and cooling model temperatures on oceanic regions. All relevant physical properties, with the exception of thermal conductivity, are based on a self-consistent thermodynamical modelling approach. Our global thermal models also include density and compressional-wave velocities (VP) as obtained either assuming no lateral variations in composition or a simple reference 3-D compositional structure, which takes into account a chemically depleted continental lithosphere. We found that seismically-derived temperatures in continental lithosphere fit well, overall, with continental geotherms, but a large variation in radiogenic heat is required to reconcile them with heat flow (long wavelength) observations. Oceanic shallow lithosphere below mid-oceanic ridges and young oceans is colder than expected, confirming the possible presence of a dehydration boundary around 80 km depth already suggested in previous studies. The global thermal models should serve as the basis to move at a smaller spatial scale, where additional thermo-chemical variations required by geophysical observations can be included.

Enantiomeric Lignans and Neolignans from Phyllanthus glaucus: Enantioseparation and Their Absolute Configurations

NASA Astrophysics Data System (ADS)

Wu, Zhaodi; Lai, Yongji; Zhou, Lei; Wu, Ye; Zhu, Hucheng; Hu, Zhengxi; Yang, Jing; Zhang, Jinwen; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui

2016-04-01

Eight pairs of enantiomeric neolignans, norlignans, and sesquineolignans (1a/1b-8a/8b), together with five known neolignans (9a/9b and 10-12), have been isolated from 70% acetone extract of the whole plants of Phyllanthus glaucus Wall. (Euphorbiaceae). The racemic or partial racemic mixtures were successfully separated by chiral HPLC using different types of chiral columns with various mobile phases. Their structures were elucidated on the basis of extensive spectroscopic data. The absolute configurations of 2a/2b were determined by computational analysis of their electronic circular dichroism (ECD) spectrum, and the absolute configurations of other isolates were ascertained by comparing their experimental ECD spectra and optical rotation values with those of structure-relevant compounds reported in literatures. Compounds 4a/4b featured unique sesquineolignan skeletons with a novel 7-4‧-epoxy-8‧-8‧‧/7‧-2‧‧ scaffold, consisting of an aryltetrahydronaphthalene and a dihydrobenzofuran moiety. The planar structures of compounds 2, 3, 7, and 8 were documented previously; however, their absolute configurations were established for the first time in this study. The antioxidant activities of 1a/1b-8a/8b were evaluated using DPPH free radical scavenging assay, and the results demonstrated that compounds 1b and 3b showed potent DPPH radical scavenging activities with IC50 values of 5.987 ± 1.212 and 9.641 ± 0.865 μg/mL, respectively.

Ultra-low-frequency vertical vibration isolator based on a two-stage beam structure for absolute gravimetry.

PubMed

Wang, G; Wu, K; Hu, H; Li, G; Wang, L J

2016-10-01

To reduce seismic and environmental vibration noise, ultra-low-frequency vertical vibration isolation systems play an important role in absolute gravimetry. For this purpose, an isolator based on a two-stage beam structure is proposed and demonstrated. The isolator has a simpler and more robust structure than the present ultra-low-frequency vertical active vibration isolators. In the system, two beams are connected to a frame using flexural pivots. The upper beam is suspended from the frame with a normal hex spring and the lower beam is suspended from the upper one using a zero-length spring. The pivot of the upper beam is not vertically above the pivot of the lower beam. With this special design, the attachment points of the zero-length spring to the beams can be moved to adjust the effective stiffness. A photoelectric detector is used to detect the angle between the two beams, and a voice coil actuator attached to the upper beam is controlled by a feedback circuit to keep the angle at a fixed value. The system can achieve a natural period of 100 s by carefully moving the attachment points of the zero-length spring to the beams and tuning the feedback parameters. The system has been used as an inertial reference in the T-1 absolute gravimeter. The experiment results demonstrate that the system has significant vibration isolation performance that holds promise in applications such as absolute gravimeters.

Ultra-low-frequency vertical vibration isolator based on a two-stage beam structure for absolute gravimetry

NASA Astrophysics Data System (ADS)

Wang, G.; Wu, K.; Hu, H.; Li, G.; Wang, L. J.

2016-10-01

To reduce seismic and environmental vibration noise, ultra-low-frequency vertical vibration isolation systems play an important role in absolute gravimetry. For this purpose, an isolator based on a two-stage beam structure is proposed and demonstrated. The isolator has a simpler and more robust structure than the present ultra-low-frequency vertical active vibration isolators. In the system, two beams are connected to a frame using flexural pivots. The upper beam is suspended from the frame with a normal hex spring and the lower beam is suspended from the upper one using a zero-length spring. The pivot of the upper beam is not vertically above the pivot of the lower beam. With this special design, the attachment points of the zero-length spring to the beams can be moved to adjust the effective stiffness. A photoelectric detector is used to detect the angle between the two beams, and a voice coil actuator attached to the upper beam is controlled by a feedback circuit to keep the angle at a fixed value. The system can achieve a natural period of 100 s by carefully moving the attachment points of the zero-length spring to the beams and tuning the feedback parameters. The system has been used as an inertial reference in the T-1 absolute gravimeter. The experiment results demonstrate that the system has significant vibration isolation performance that holds promise in applications such as absolute gravimeters.

Total Synthesis and Absolute Configuration of Laurenditerpenol: A Hypoxia Inducible Factor-1 Activation Inhibitor

PubMed Central

Chittiboyina, Amar G.; Kumar, Gundluru Mahesh; Carvalho, Paulo B.; Liu, Yang; Zhou, Yu-Dong; Nagle, Dale G.

2010-01-01

The absolute stereo structure of the natural product laurenditerpenol (1S, 6R, 7S, 10R, 11R, 14S, 15R) has been accomplished from eight plausible stereoisomers by its first asymmetric total synthesis in a highly convergent and flexible synthetic pathway. Six stereoisomers of laurenditerpenol were synthesized and evaluated for their biological activity. PMID:18004798

A New Gimmick for Assigning Absolute Configuration.

ERIC Educational Resources Information Center

Ayorinde, F. O.

1983-01-01

A five-step procedure is provided to help students in making the assignment absolute configuration less bothersome. Examples for both single (2-butanol) and multi-chiral carbon (3-chloro-2-butanol) molecules are included. (JN)

Clinical implementation and error sensitivity of a 3D quality assurance protocol for prostate and thoracic IMRT

PubMed Central

Cotter, Christopher; Turcotte, Julie Catherine; Crawford, Bruce; Sharp, Gregory; Mah'D, Mufeed

2015-01-01

This work aims at three goals: first, to define a set of statistical parameters and plan structures for a 3D pretreatment thoracic and prostate intensity‐modulated radiation therapy (IMRT) quality assurance (QA) protocol; secondly, to test if the 3D QA protocol is able to detect certain clinical errors; and third, to compare the 3D QA method with QA performed with single ion chamber and 2D gamma test in detecting those errors. The 3D QA protocol measurements were performed on 13 prostate and 25 thoracic IMRT patients using IBA's COMPASS system. For each treatment planning structure included in the protocol, the following statistical parameters were evaluated: average absolute dose difference (AADD), percent structure volume with absolute dose difference greater than 6% (ADD6), and 3D gamma test. To test the 3D QA protocol error sensitivity, two prostate and two thoracic step‐and‐shoot IMRT patients were investigated. Errors introduced to each of the treatment plans included energy switched from 6 MV to 10 MV, multileaf collimator (MLC) leaf errors, linac jaws errors, monitor unit (MU) errors, MLC and gantry angle errors, and detector shift errors. QA was performed on each plan using a single ion chamber and 2D array of ion chambers for 2D and 3D QA. Based on the measurements performed, we established a uniform set of tolerance levels to determine if QA passes for each IMRT treatment plan structure: maximum allowed AADD is 6%; maximum 4% of any structure volume can be with ADD6 greater than 6%, and maximum 4% of any structure volume may fail 3D gamma test with test parameters 3%/3 mm DTA. Out of the three QA methods tested the single ion chamber performed the worst by detecting 4 out of 18 introduced errors, 2D QA detected 11 out of 18 errors, and 3D QA detected 14 out of 18 errors. PACS number: 87.56.Fc PMID:26699299

Accessibility of Nitroxide Side Chains: Absolute Heisenberg Exchange Rates from Power Saturation EPR

PubMed Central

Altenbach, Christian; Froncisz, Wojciech; Hemker, Roy; Mchaourab, Hassane; Hubbell, Wayne L.

2005-01-01

In site-directed spin labeling, the relative solvent accessibility of spin-labeled side chains is taken to be proportional to the Heisenberg exchange rate (Wex) of the nitroxide with a paramagnetic reagent in solution. In turn, relative values of Wex are determined by continuous wave power saturation methods and expressed as a proportional and dimensionless parameter Π. In the experiments presented here, NiEDDA is characterized as a paramagnetic reagent for solvent accessibility studies, and it is shown that absolute values of Wex can be determined from Π, and that the proportionality constant relating them is independent of the paramagnetic reagent and mobility of the nitroxide. Based on absolute exchange rates, an accessibility factor is defined (0 < ρ < 1) that serves as a quantitative measure of side-chain solvent accessibility. The accessibility factors for a nitroxide side chain at 14 different sites in T4 lysozyme are shown to correlate with a structure-based accessibility parameter derived from the crystal structure of the protein. These results provide a useful means for relating crystallographic and site-directed spin labeling data, and hence comparing crystal and solution structures. PMID:15994891

North American Crust and Upper Mantle Structure Imaged Using an Adaptive Bayesian Inversion

NASA Astrophysics Data System (ADS)

Eilon, Z.; Fischer, K. M.; Dalton, C. A.

2017-12-01

We present a methodology for imaging upper mantle structure using a Bayesian approach that incorporates a novel combination of seismic data types and an adaptive parameterization based on piecewise discontinuous splines. Our inversion algorithm lays the groundwork for improved seismic velocity models of the lithosphere and asthenosphere by harnessing increased computing power alongside sophisticated data analysis, with the flexibility to include multiple datatypes with complementary resolution. Our new method has been designed to simultaneously fit P-s and S-p converted phases and Rayleigh wave phase velocities measured from ambient noise (periods 6-40 s) and earthquake sources (periods 30-170s). Careful processing of the body wave data isolates the signals from velocity gradients between the mid-crust and 250 km depth. We jointly invert the body and surface wave data to obtain detailed 1-D velocity models that include robustly imaged mantle discontinuities. Synthetic tests demonstrate that S-p phases are particularly important for resolving mantle structure, while surface waves capture absolute velocities with resolution better than 0.1 km/s. By treating data noise as an unknown parameter, and by generating posterior parameter distributions, model trade offs and uncertainties are fully captured by the inversion. We apply the method to stations across the northwest and north-central United States, finding that the imaged structure improves upon existing models by sharpening the vertical resolution of absolute velocity profiles and offering robust uncertainty estimates. In the tectonically active northwestern US, a strong velocity drop immediately beneath the Moho connotes thin (<70 km) lithosphere and a sharp lithosphere-asthenosphere transition; the asthenospheric velocity profile here matches observations at mid-ocean ridges. Within the Wyoming and Superior cratons, our models reveal mid-lithospheric velocity gradients indicative of thermochemical cratonic layering, but the lithosphere-asthenosphere boundary is relatively gradual. This flexible method holds promise for increasingly detailed understanding of the lithosphere-asthenosphere system.

Absolute and relative educational inequalities in depression in Europe.

PubMed

Dudal, Pieter; Bracke, Piet

2016-09-01

To investigate (1) the size of absolute and relative educational inequalities in depression, (2) their variation between European countries, and (3) their relationship with underlying prevalence rates. Analyses are based on the European Social Survey, rounds three and six (N = 57,419). Depression is measured using the shortened Centre of Epidemiologic Studies Depression Scale. Education is coded by use of the International Standard Classification of Education. Country-specific logistic regressions are applied. Results point to an elevated risk of depressive symptoms among the lower educated. The cross-national patterns differ between absolute and relative measurements. For men, large relative inequalities are found for countries including Denmark and Sweden, but are accompanied by small absolute inequalities. For women, large relative and absolute inequalities are found in Belgium, Bulgaria, and Hungary. Results point to an empirical association between inequalities and the underlying prevalence rates. However, the strength of the association is only moderate. This research stresses the importance of including both measurements for comparative research and suggests the inclusion of the level of population health in research into inequalities in health.

Absolute far-ultraviolet spectrophotometry of hot subluminous stars from Voyager

NASA Technical Reports Server (NTRS)

Holberg, J. B.; Ali, B.; Carone, T. E.; Polidan, R. S.

1991-01-01

Observations, obtained with the Voyager ultraviolet spectrometers, are presented of absolute fluxes for two well-known hot subluminous stars: BD + 28 deg 4211, an sdO, and G191 - B2B, a hot DA white dwarf. Complete absolute energy distributions for these two stars, from the Lyman limit at 912 A to 1 micron, are given. For BD + 28 deg 4211, a single power law closely represents the entire observed energy distribution. For G191 - B2B, a pure hydrogen model atmosphere provides an excellent match to the entire absolute energy distribution. Voyager absolute fluxes are discussed in relation to those reported from various sounding rocket experiments, including a recent rocket observation of BD + 28 deg 4211.

Absolute branching fraction measurements of exclusive D0 semileptonic decays.

PubMed

Coan, T E; Gao, Y S; Liu, F; Artuso, M; Boulahouache, C; Blusk, S; Butt, J; Dambasuren, E; Dorjkhaidav, O; Li, J; Menaa, N; Mountain, R; Nandakumar, R; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Briere, R A; Chen, G P; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Crede, V; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Gibbons, L; Gittelman, B; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Hsu, L; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Pivarski, J; Phillips, E A; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shepherd, M R; Stroiney, S; Sun, W M; Urner, D; Wilksen, T; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Gollin, G D; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; Williams, J; Wiss, J; Edwards, K W; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Kubota, Y; Klein, T; Lang, B W; Li, S Z; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Mahmood, A H; Severini, H; Asner, D M; Dytman, S A; Love, W; Mehrabyan, S; Mueller, J A; Savinov, V; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shibata, E I; Shipsey, I P J; Adams, G S; Chasse, M; Cravey, M; Cummings, J P; Danko, I; Napolitano, J; He, Q; Muramatsu, H; Park, C S; Park, W; Thorndike, E H

2005-10-28

With the first data sample collected by the CLEO-c detector at the psi(3770) resonance we have studied four exclusive semileptonic decays of the D0 meson. Our results include the first observation and absolute branching fraction measurement for D0 --> p-e+ve and improved measurements of the absolute branching fractions for D0 decays to K-e+ve, pi-e+ve, and K*-e+ve.

An analysis of source structure effects in radio interferometry measurements

NASA Technical Reports Server (NTRS)

Thomas, J. B.

1980-01-01

To begin a study of structure effects, this report presents a theoretical framework, proposes an effective position approach to structure corrections based on brightness distribution measurements, and analyzes examples of analytical and measured brightness distributions. Other topics include the effect of the frequency dependence of a brightness distribution on bandwidth synthesis (BWS) delay, the determination of the absolute location of a measured brightness distribution, and structure effects in dual frequency calibration of charged particle delays. For the 10 measured distributions analyzed, it was found that the structure effect in BWS delay at X-band (3.6 cm) can reach 30 cm, but typically falls in the range of 0 to 5 cm. A trial limit equation that is dependent on visibility was successfully tested against the 10 measured brightness distributions (seven sources). If the validity of this particular equation for an upper limit can be established for nearly all sources, the structure effect in BWS delay could be greatly reduced without supplementary measurements of brightness distributions.

Absolute configuration of a tetrahydrophenanthrene from Heliotropium ovalifolium by LC-NMR of its Mosher esters.

PubMed

Guilet, David; Guntern, Alain; Ioset, Jean-Robert; Queiroz, Emerson F; Ndjoko, Karine; Foggin, Chris M; Hostettmann, Kurt

2003-01-01

A new tetrahydrophenanthrene (1, (1R,2R)-1-hydroxy-2-methoxy-6,9-dimethyl-2,3-dihydrophenanthren-4(1H)-one (heliophenanthrone)) has been isolated from the aerial parts of Heliotropium ovalifolium. Its structure was elucidated on the basis of spectroscopic data, and the absolute configuration of the asymmetric centers was determined from LC-NMR data of the Mosher ester derivatives.

Structural and Psycho-Social Limits to Climate Change Adaptation in the Great Barrier Reef Region

PubMed Central

Evans, Louisa S.; Hicks, Christina C.; Adger, W. Neil; Barnett, Jon; Perry, Allison L.; Fidelman, Pedro; Tobin, Renae

2016-01-01

Adaptation, as a strategy to respond to climate change, has limits: there are conditions under which adaptation strategies fail to alleviate impacts from climate change. Research has primarily focused on identifying absolute bio-physical limits. This paper contributes empirical insight to an emerging literature on the social limits to adaptation. Such limits arise from the ways in which societies perceive, experience and respond to climate change. Using qualitative data from multi-stakeholder workshops and key-informant interviews with representatives of the fisheries and tourism sectors of the Great Barrier Reef region, we identify psycho-social and structural limits associated with key adaptation strategies, and examine how these are perceived as more or less absolute across levels of organisation. We find that actors experience social limits to adaptation when: i) the effort of pursuing a strategy exceeds the benefits of desired adaptation outcomes; ii) the particular strategy does not address the actual source of vulnerability, and; iii) the benefits derived from adaptation are undermined by external factors. We also find that social limits are not necessarily more absolute at higher levels of organisation: respondents perceived considerable opportunities to address some psycho-social limits at the national-international interface, while they considered some social limits at the local and regional levels to be effectively absolute. PMID:26960200

Structural and Psycho-Social Limits to Climate Change Adaptation in the Great Barrier Reef Region.

PubMed

Evans, Louisa S; Hicks, Christina C; Adger, W Neil; Barnett, Jon; Perry, Allison L; Fidelman, Pedro; Tobin, Renae

2016-01-01

Adaptation, as a strategy to respond to climate change, has limits: there are conditions under which adaptation strategies fail to alleviate impacts from climate change. Research has primarily focused on identifying absolute bio-physical limits. This paper contributes empirical insight to an emerging literature on the social limits to adaptation. Such limits arise from the ways in which societies perceive, experience and respond to climate change. Using qualitative data from multi-stakeholder workshops and key-informant interviews with representatives of the fisheries and tourism sectors of the Great Barrier Reef region, we identify psycho-social and structural limits associated with key adaptation strategies, and examine how these are perceived as more or less absolute across levels of organisation. We find that actors experience social limits to adaptation when: i) the effort of pursuing a strategy exceeds the benefits of desired adaptation outcomes; ii) the particular strategy does not address the actual source of vulnerability, and; iii) the benefits derived from adaptation are undermined by external factors. We also find that social limits are not necessarily more absolute at higher levels of organisation: respondents perceived considerable opportunities to address some psycho-social limits at the national-international interface, while they considered some social limits at the local and regional levels to be effectively absolute.

Four new compounds from Imperata cylindrica.

PubMed

Liu, Xuan; Zhang, Bin-Feng; Yang, Li; Chou, Gui-Xin; Wang, Zheng-Tao

2014-04-01

Four new compounds, impecylone (1), deacetylimpecyloside (2), seguinoside K 4-methylether (3) and impecylenolide (4), were isolated from Imperata cylindrica along with two known compounds, impecyloside (5) and seguinoside K (6). Their structures were elucidated mainly by spectroscopic analyses including 1D- and 2D-NMR techniques, and the absolute configuration of 1 was confirmed by X-ray diffraction analysis. In calcium assay, the result indicated that compounds 1, 2, 4 and 5 cannot obviously inhibit the calcium peak value compared with the negative control, and suggested that the four compounds could not have anti-inflammatory activity.

Antioxidant farnesylated hydroquinones from Ganoderma capense.

PubMed

Peng, Xingrong; Li, Lei; Wang, Xia; Zhu, Guolei; Li, Zhongrong; Qiu, Minghua

2016-06-01

Phytochemical investigation of the fruiting bodies of Ganoderma capense led to isolation of eight aromatic meroterpenoids (1-8). Ganocapensins A and B (1, 2) possessed a thirteen-membered and a fourteen-membered ether rings, respectively. The structures of new isolates including absolute configuration were elucidated on the basis of extensive spectroscopic technologies and Mosher's method. All isolated compounds showed significant antioxidant effects with IC50 values ranging from 6.00±0.11 to 8.20±0.30μg/ml in the DPPH radical scavenging assay. Copyright © 2016 Elsevier B.V. All rights reserved.

Three new isobenzofuranone derivatives from the fruiting bodies of Hericium erinaceus.

PubMed

Wang, Xu-Li; Gao, Jie; Li, Jing; Long, Hong-Ping; Xu, Ping-Sheng; Xu, Kang-Ping; Tan, Gui-Shan

2017-02-01

Three new isobenzofuranone derivatives erinaceolactones D-F (1-3), together with four known ones (4-7), were isolated from the fruiting bodies of Hericium erinaceus. Their structures were determined on the basis of comprehensive spectroscopic analyses including UV, 1D, 2D NMR and HR-TOF-MS. The absolute configuration of erinaceolactone D (1) and erinaceolactone E (2) were assigned by comparing their specific rotation with those of analogs in literatures. The four known compounds were isomers with each other and were isolated simultaneously for the first time.

Why poverty remains high: the role of income growth, economic inequality, and changes in family structure, 1949-1999.

PubMed

Iceland, John

2003-08-01

After dramatic declines in poverty from 1950 to the early 1970s in the United States, progress stalled. This article examines the association between trends in poverty and income growth, economic inequality, and changes in family structure using three measures of poverty: an absolute measure, a relative measure, and a quasi-relative one. I found that income growth explains most of the trend in absolute poverty, while inequality generally plays the most significant role in explaining trends in relative poverty. Rising inequality in the 1970s and 1980s was especially important in explaining increases in poverty among Hispanics, whereas changes in family structure played a significant role for children and African Americans through 1990. Notably, changes in family structure no longer had a significant association with trends in poverty for any group in the 1990s.

What is the function of centrioles?

PubMed

Marshall, Wallace F

2007-03-01

The function of centrioles has been controversial and remains incompletely resolved. This is because centrioles, in and of themselves, do not directly perform any physiological activity. Instead, their role is only to act as a jig or breadboard onto which other functional structures can be built. Centrioles are primarily involved in forming two structures-centrosomes and cilia. Centrioles bias the position of spindle pole formation, but because spindle poles can self-organize, the function of the centriole in mitosis is not obligatory. Consequently, lack of centrioles does not generally prevent mitosis, although recent experiments suggest acentriolar spindles have reduced fidelity of chromosome segregation. In contrast, centrioles are absolutely required for the assembly of cilia, including primary cilia that act as cellular antennae. Consistent with this requirement, it is now becoming clear that many ciliary diseases, including nephronophthisis, Bardet-Biedl syndrome, Meckel Syndrome, and Oral-Facial-Digital syndrome, are caused by defects in centriole-associated proteins.

Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doughty, Benjamin; Goverapet Srinivasan, Sriram; Bryantsev, Vyacheslav S.

The initial mechanistic steps underlying heterogeneous chemical catalysis can be described in a framework where the composition, structure, and orientation of molecules adsorbed to reactive interfaces are known. However, extracting this vital information is the limiting step in most cases due in part to challenges in probing the interfacial monolayer with enough chemical specificity to characterize the surface molecular constituents. These challenges are exacerbated at complex or spatially heterogeneous interfaces where competing processes and a distribution of local environments can uniquely drive chemistry. To address these limitations, this work presents a distinctive combination of materials synthesis, surface specific optical experiments,more » and theory to probe and understand molecular structure at catalytic interfaces. Specifically, isopropanol was adsorbed to surfaces of the model CeO 2 catalyst that were synthesized with only the (100) facet exposed. Vibrational sum-frequency generation was used to probe the molecular monolayer, and with the guidance of density functional theory calculations, was used to extract the structure and absolute molecular orientation of isopropanol at the CeO 2 (100) surface. Our results show that isopropanol is readily deprotonated at the surface, and through the measured absolute molecular orientation of isopropanol, we obtain new insight into the selectivity of the (100) surface to form propylene. Our findings reveal key insight into the chemical and physical phenomena taking place at pristine interfaces thereby pointing to intuitive structural arguments to describe catalytic selectivity in more complex systems.« less

Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

DOE PAGES

Doughty, Benjamin; Goverapet Srinivasan, Sriram; Bryantsev, Vyacheslav S.; ...

2017-06-12

The initial mechanistic steps underlying heterogeneous chemical catalysis can be described in a framework where the composition, structure, and orientation of molecules adsorbed to reactive interfaces are known. However, extracting this vital information is the limiting step in most cases due in part to challenges in probing the interfacial monolayer with enough chemical specificity to characterize the surface molecular constituents. These challenges are exacerbated at complex or spatially heterogeneous interfaces where competing processes and a distribution of local environments can uniquely drive chemistry. To address these limitations, this work presents a distinctive combination of materials synthesis, surface specific optical experiments,more » and theory to probe and understand molecular structure at catalytic interfaces. Specifically, isopropanol was adsorbed to surfaces of the model CeO 2 catalyst that were synthesized with only the (100) facet exposed. Vibrational sum-frequency generation was used to probe the molecular monolayer, and with the guidance of density functional theory calculations, was used to extract the structure and absolute molecular orientation of isopropanol at the CeO 2 (100) surface. Our results show that isopropanol is readily deprotonated at the surface, and through the measured absolute molecular orientation of isopropanol, we obtain new insight into the selectivity of the (100) surface to form propylene. Our findings reveal key insight into the chemical and physical phenomena taking place at pristine interfaces thereby pointing to intuitive structural arguments to describe catalytic selectivity in more complex systems.« less

Absolute Value Boundedness, Operator Decomposition, and Stochastic Media and Equations

NASA Technical Reports Server (NTRS)

Adomian, G.; Miao, C. C.

1973-01-01

The research accomplished during this period is reported. Published abstracts and technical reports are listed. Articles presented include: boundedness of absolute values of generalized Fourier coefficients, propagation in stochastic media, and stationary conditions for stochastic differential equations.

Teaching Point-of-Care Lung Ultrasound to Novice Pediatric Learners: Web-Based E-Learning Versus Traditional Classroom Didactic.

PubMed

Soon, Aun Woon; Toney, Amanda Greene; Stidham, Timothy; Kendall, John; Roosevelt, Genie

2018-04-24

To assess whether Web-based teaching is at least as effective as traditional classroom didactic in improving the proficiency of pediatric novice learners in the image acquisition and interpretation of pneumothorax and pleural effusion using point-of-care ultrasound (POCUS). We conducted a randomized controlled noninferiority study comparing the effectiveness of Web-based teaching to traditional classroom didactic. The participants were randomized to either group A (live classroom lecture) or group B (Web-based lecture) and completed a survey and knowledge test. They also received hands-on training and completed an objective structured clinical examination. The participants were invited to return 2 months later to test for retention of knowledge and skills. There were no significant differences in the mean written test scores between the classroom group and Web group for the precourse test (absolute difference, -2.5; 95% confidence interval [CI], -12 to 6.9), postcourse test (absolute difference, 2.0; 95% CI, -1.4, 5.3), and postcourse 2-month retention test (absolute difference, -0.8; 95% CI, -9.6 to 8.1). Similarly, no significant differences were noted in the mean objective structured clinical examination scores for both intervention groups in postcourse (absolute difference, 1.9; 95% CI, -4.7 to 8.5) and 2-month retention (absolute difference, -0.6; 95% CI, -10.7 to 9.5). Web-based teaching is at least as effective as traditional classroom didactic in improving the proficiency of novice learners in POCUS. The usage of Web-based tutorials allows a more efficient use of time and a wider dissemination of knowledge.

Characterizing absolute piezoelectric microelectromechanical system displacement using an atomic force microscope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evans, J., E-mail: radiant@ferrodevices.com; Chapman, S., E-mail: radiant@ferrodevices.com

Piezoresponse Force Microscopy (PFM) is a popular tool for the study of ferroelectric and piezoelectric materials at the nanometer level. Progress in the development of piezoelectric MEMS fabrication is highlighting the need to characterize absolute displacement at the nanometer and Ångstrom scales, something Atomic Force Microscopy (AFM) might do but PFM cannot. Absolute displacement is measured by executing a polarization measurement of the ferroelectric or piezoelectric capacitor in question while monitoring the absolute vertical position of the sample surface with a stationary AFM cantilever. Two issues dominate the execution and precision of such a measurement: (1) the small amplitude ofmore » the electrical signal from the AFM at the Ångstrom level and (2) calibration of the AFM. The authors have developed a calibration routine and test technique for mitigating the two issues, making it possible to use an atomic force microscope to measure both the movement of a capacitor surface as well as the motion of a micro-machine structure actuated by that capacitor. The theory, procedures, pitfalls, and results of using an AFM for absolute piezoelectric measurement are provided.« less

Absolute configuration and crystal packing chirality for three conglomerate-forming ortho-halogen substituted phenyl glycerol ethers

NASA Astrophysics Data System (ADS)

Bredikhin, Alexander A.; Gubaidullin, Aidar T.; Bredikhina, Zemfira A.

2010-06-01

Three conglomerate-forming ortho-Hal (Hal = Cl, Br, I) substituted phenyl glycerol ethers 1- 3 were investigated by single-crystal X-ray analysis, and the absolute configuration for all substances was established. The molecular structures and crystal packing details for halogen derivatives were compared with the same characteristics for ortho-OCH 3 and ortho-CH 3 analogues. Two different types of crystal packing were evaluated for these very much alike compounds. The interplay of the supramolecular crystal organization chirality sense and the single molecule absolute configuration was demonstrated. Some stabilizing and destabilizing interactions involving the ortho-substituents were revealed. The resolution of rac-2 by entrainment procedure was successfully realized.

Enantioselective Synthesis of All-Carbon Quaternary Centers Structurally Related to Amaryllidaceae Alkaloids.

PubMed

Mikušek, Jiří; Jansa, Petr; Jagtap, Pratap R; Vašíček, Tomáš; Císařová, Ivana; Matoušová, Eliška

2018-05-18

Enantioselective synthesis of all-carbon quaternary centers remains a considerable challenge for synthetic organic chemists. Here, we report a two-step protocol to synthesize such centers including tandem cyclization/Suzuki cross-coupling followed by halocarbocyclization. During this process, two rings, three new C-C bonds and a stereochemically defined all-carbon quaternary center are formed. The absolute configuration of this center is controlled by the stereochemistry of the adjacent stereocenter, which derives from an appropriate enantioenriched starting material. Using this method, we synthesized polycyclic compounds structurally similar to Amaryllidaceae alkaloids in high enantiomeric excesses. Because these products resemble naturally occurring compounds, our protocol can be used to synthesize various potentially bioactive compounds. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hyperascyrones A-H, polyprenylated spirocyclic acylphloroglucinol derivatives from Hypericum ascyron Linn.

PubMed

Zhu, Hucheng; Chen, Chunmei; Liu, Junjun; Sun, Bin; Wei, Guangzheng; Li, Yan; Zhang, Jinwen; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui

2015-07-01

Eight polyprenylated spirocyclic acylphloroglucinol derivatives (PSAPs), hyperascyrones A-H, were isolated from the aerial parts of Hypericum ascyron Linn., together with six known analogs. Their structures were established by spectroscopic analyses including HRESIMS, 1D and 2D NMR, and their absolute configurations were determined by electronic circular dichroism calculations (ECD, Gaussian 09). Structures of previously reported tomoeones C, D, G, and H were revised. Hyperascyrones A-H were evaluated for their cytotoxic and anti-HIV-1 activities, with hyperascyrones C and G exhibiting significant cytotoxicities against HL-60 cell lines with IC50 values of 4.22 and 8.36 μM, respectively. In addition, the chemotaxonomic significance of these compounds was also discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Q

Purpose: According to clinical and research requirement, we develop a function of automatic reading dose of interest from dose volume histogram(DVH), to replace the traditional method with a mouse one by one point, and it's also verified. Methods: The DVH automatic reading function will be developed in an in-house developed radiotherapy information management system(RTIMS), which is based on Apache+PHP+MySQL. A DVH ASCII file is exported from Varian Eclipse V8.6, which includes the following contents: 1. basic information of patient; 2. dose information of plan; 3. dose information of structures, including basic information and dose volume data of target volume andmore » organ at risk. And the default exported dose volume data also includes relative doses by 1% step and corresponding absolute doses and cumulative relative volumes, and the volumes are 4 decimal fraction. Clinically, we often need read the doses of some integer percent volumes, such as D50 and D30. So it couldn't be directly obtained from the above data, but we can use linear interpolation bye the near volumes and doses: Dx=D2−(V2−Vx)*(D2−D1)/(V2−V1), and program a function to search, read and calculate the corresponding data. And the doses of all preseted volume of interest of all structures can be automatically read one by one patient, and saved as a CSV file. To verify it, we select 24 IMRT plans for prostate cancer, and doses of interest are PTV D98/D95/D5/D2, bladder D30/D50, and rectum D25/D50. Two groups of data, using the automatic reading method(ARM) and pointed dose method(PDM), are analyzed with SPSS 16. The absolute difference=D-ARM-D-PDM, relative difference=absolute difference*100%/prescription dose(7600cGy). Results: The differences are as following: PTV D98/D95/D5/D2: −0.04%/− 0.04%/0.13%/0.19%, bladder D30/D50: −0.02%/0.01%, and rectum D25/D50: 0.03%/0.01%. Conclusion: Using this function, the error is very small, and can be neglected. It could greatly improve the efficiency of clinical work. Project supported by the National Natural Science Foundation of China (Grant No.81101694)« less

Evaluating the validity of using unverified indices of body condition

USGS Publications Warehouse

Schamber, J.L.; Esler, Daniel N.; Flint, Paul L.

2009-01-01

Condition indices are commonly used in an attempt to link body condition of birds to ecological variables of interest, including demographic attributes such as survival and reproduction. Most indices are based on body mass adjusted for structural body size, calculated as simple ratios or residuals from regressions. However, condition indices are often applied without confirming their predictive value (i.e., without being validated against measured values of fat and protein), which we term ‘unverified’ use. We evaluated the ability of a number of unverified indices frequently found in the literature to predict absolute and proportional levels of fat and protein across five species of waterfowl. Among indices we considered, those accounting for body size never predicted absolute protein more precisely than body mass, however, some indices improved predictability of fat, although the form of the best index varied by species. Further, the gain in precision by using a condition index to predict either absolute or percent fat was minimal (rise in r2≤0.13), and in many cases model fit was actually reduced. Our data agrees with previous assertions that the assumption that indices provide more precise indicators of body condition than body mass alone is often invalid. We strongly discourage the use of unverified indices, because subjectively selecting indices likely does little to improve precision and might in fact decrease predictability relative to using body mass alone.

Teaching the Double Layer.

ERIC Educational Resources Information Center

Bockris, J. O'M.

1983-01-01

Suggests various methods for teaching the double layer in electrochemistry courses. Topics addressed include measuring change in absolute potential difference (PD) at interphase, conventional electrode potential scale, analyzing absolute PD, metal-metal and overlap electron PDs, accumulation of material at interphase, thermodynamics of electrified…

Unpicking the signal thread of the sector web spider Zygiella x-notata

PubMed Central

Mortimer, Beth; Holland, Chris; Windmill, James F. C.; Vollrath, Fritz

2015-01-01

Remote sensing allows an animal to extend its morphology with appropriate conductive materials and sensors providing environmental feedback from spatially removed locations. For example, the sector web spider Zygiella x-notata uses a specialized thread as both a structural bridge and signal transmitter to monitor web vibrations from its retreat at the web perimeter. To unravel this model multifunctional system, we investigated Zygiella's signal thread structure with a range of techniques, including tensile testing, laser vibrometry, electron microscopy and behavioural analysis. We found that signal threads varied significantly in the number of filaments; a result of the spider adding a lifeline each time it runs along the bridge. Our mechanical property analysis suggests that while the structure varies, its normalized load does not. We propose that the signal thread represents a complex and fully integrated multifunctional structure where filaments can be added, thus increasing absolute load-bearing capacity while maintaining signal fidelity. We conclude that such structures may serve as inspiration for remote sensing design strategies. PMID:26674191

Non-contrast 3D time-of-flight magnetic resonance angiography for visualization of intracranial aneurysms in patients with absolute contraindications to CT or MRI contrast.

PubMed

Yanamadala, Vijay; Sheth, Sameer A; Walcott, Brian P; Buchbinder, Bradley R; Buckley, Deidre; Ogilvy, Christopher S

2013-08-01

The preoperative evaluation of patients with intracranial aneurysms typically includes a contrast-enhanced vascular study, such as computed tomography angiography (CTA), magnetic resonance angiography (MRA), or digital subtraction angiography. However, there are numerous absolute and relative contraindications to the administration of imaging contrast agents, including pregnancy, severe contrast allergy, and renal insufficiency. Evaluation of patients with contrast contraindications thus presents a unique challenge. We identified three patients with absolute contrast contraindications who presented with intracranial aneurysms. One patient was pregnant, while the other two had previous severe anaphylactic reactions to iodinated contrast. Because of these contraindications to intravenous contrast, we performed non-contrast time-of-flight MRA with 3D reconstruction (TOF MRA with 3DR) with maximum intensity projections and volume renderings as part of the preoperative evaluation prior to successful open surgical clipping of the aneurysms. In the case of one paraclinoid aneurysm, a high-resolution non-contrast CT scan was also performed to assess the relationship of the aneurysm to the anterior clinoid process. TOF MRA with 3DR successfully identified the intracranial aneurysms and adequately depicted the surrounding microanatomy. Intraoperative findings were as predicted by the preoperative imaging studies. The aneurysms were successfully clip-obliterated, and the patients had uneventful post-operative courses. These cases demonstrate that non-contrast imaging is a viable modality to assess intracranial aneurysms as part of the surgical planning process in patients with contrast contraindications. TOF MRA with 3DR, in conjunction with high-resolution non-contrast CT when indicated, provides adequate visualization of the microanatomy of the aneurysm and surrounding structures. Copyright © 2013 Elsevier Ltd. All rights reserved.

Preparation of an oakmoss absolute with reduced allergenic potential.

PubMed

Ehret, C; Maupetit, P; Petrzilka, M; Klecak, G

1992-06-01

Synopsis Oakmoss absolute, an extract of the lichen Evernia prunastri, is known to cause allergenic skin reactions due to the presence of certain aromatic aldehydes such as atranorin, chloratranorin, ethyl hematommate and ethyl chlorohematommate. In this paper it is shown that treatment of Oakmoss absolute with amino acids such as lysine and/or leucine, lowers considerably the content of these allergenic constituents including atranol and chloratranol. The resulting Oakmoss absolute, which exhibits an excellent olfactive quality, was tested extensively in comparative studies on guinea pigs and on man. The results of the Guinea Pig Maximization Test (GPMT) and Human Repeated Insult Patch Test (HRIPT) indicate that, in comparison with the commercial test sample, the allergenicity of this new quality of Oakmoss absolute was considerably reduced, and consequently better skin tolerance of this fragrance for man was achieved.

Mode selection in swirling jet experiments: a linear stability analysis

NASA Astrophysics Data System (ADS)

Gallaire, François; Chomaz, Jean-Marc

2003-11-01

The primary goal of the study is to identify the selection mechanism responsible for the appearance of a double-helix structure in the pre-breakdown stage of so-called screened swirling jets for which the circulation vanishes away from the jet. The family of basic flows under consideration combines the azimuthal velocity profiles of Carton & McWilliams (1989) and the axial velocity profiles of Monkewitz (1988). This model satisfactorily represents the nozzle exit velocity distributions measured in the swirling jet experiment of Billant et al. (1998). Temporal and absolute/convective instability properties are directly retrieved from numerical simulations of the linear impulse response for different swirl parameter settings. A large range of negative helical modes, winding with the basic flow, are destabilized as swirl is increased, and their characteristics for large azimuthal wavenumbers are shown to agree with the asymptotic analysis of Leibovich & Stewartson (1983). However, the temporal study fails to yield a clear selection principle. The absolute/convective instability regions are mapped out in the plane of the external axial flow and swirl parameters. The absolutely unstable domain is enhanced by rotation and it remains open for arbitrarily large swirl. The swirling jet with zero external axial flow is found to first become absolutely unstable to a mode of azimuthal wavenumber m {=} {-}2, winding with the jet. It is suggested that this selection mechanism accounts for the experimental observation of a double-helix structure.

Evaluation of absolute measurement using a 4π plastic scintillator for the 4πβ-γ coincidence counting method.

PubMed

Unno, Y; Sanami, T; Sasaki, S; Hagiwara, M; Yunoki, A

2018-04-01

Absolute measurement by the 4πβ-γ coincidence counting method was conducted by two photomultipliers facing across a plastic scintillator to be focused on β ray counting efficiency. The detector was held with a through-hole-type NaI(Tl) detector. The results include absolutely determined activity and its uncertainty especially about extrapolation. A comparison between the obtained and known activities showed agreement within their uncertainties. Copyright © 2017 Elsevier Ltd. All rights reserved.

The recalibration of the IUE scientific instrument

NASA Technical Reports Server (NTRS)

Imhoff, Catherine L.; Oliversen, Nancy A.; Nichols-Bohlin, Joy; Casatella, Angelo; Lloyd, Christopher

1988-01-01

The IUE instrument was recalibrated because of long time-scale changes in the scientific instrument, a better understanding of the performance of the instrument, improved sets of calibration data, and improved analysis techniques. Calibrations completed or planned include intensity transfer functions (ITF), low-dispersion absolute calibrations, high-dispersion ripple corrections and absolute calibrations, improved geometric mapping of the ITFs to spectral images, studies to improve the signal-to-noise, enhanced absolute calibrations employing corrections for time, temperature, and aperture dependence, and photometric and geometric calibrations for the FES.

Absolute configuration in 4-alkyl- and 4-aryl-3,4-dihydro-2(1H)-pyrimidones: a combined theoretical and experimental investigation.

PubMed

Uray, G; Verdino, P; Belaj, F; Kappe, C O; Fabian, W M

2001-10-05

Structural features (orientation of the carboxyl group, ring puckering), electronic absorption, and circular dichroism spectra of 4-alkyl- and 4-aryl-dihydropyrimidones 1-5 are calculated by semiempirical (AM1, INDO/S), ab initio (HF/6-31G, CIS/6-31G, RPA/6-31G), and density functional theory (B3LYP/6-31G) methods. These calculations allow an assignment of the absolute configuration by comparison of simulated and experimental CD spectra. Although the ab initio methods greatly overestimate electronic transition energies, the general appearance of the experimental CD spectra is quite nicely reproduced by these calculations. Thus, comparison of experimental with calculated CD spectra is a reliable tool for the assignment of the absolute configuration. For 4-methyl derivatives 1, the first enantiopure DHPM examples with no additional aromatic substituent, the stereochemistry at C4 provided by the theoretical results is confirmed by X-ray structure determination of the diastereomeric salt 6. Additional support is the consistent HPLC elution order found for all investigated DHPMs on a cellulose-derived chiral stationary phase.

Fingerprints of flower absolutes using supercritical fluid chromatography hyphenated with high resolution mass spectrometry.

PubMed

Santerre, Cyrille; Vallet, Nadine; Touboul, David

2018-06-02

Supercritical fluid chromatography hyphenated with high resolution mass spectrometry (SFC-HRMS) was developed for fingerprint analysis of different flower absolutes commonly used in cosmetics field, especially in perfumes. Supercritical fluid chromatography-atmospheric pressure photoionization-high resolution mass spectrometry (SFC-APPI-HRMS) technique was employed to identify the components of the fingerprint. The samples were separated with a porous graphitic carbon (PGC) Hypercarb™ column (100 mm × 2.1 mm, 3 μm) by gradient elution using supercritical CO 2 and ethanol (0.0-20.0 min (2-30% B), 20.0-25.0 min (30% B), 25.0-26.0 min (30-2% B) and 26.0-30.0 min (2% B)) as mobile phase at a flow rate of 1.5 mL/min. In order to compare the SFC fingerprints between five different flower absolutes: Jasminum grandiflorum absolutes, Jasminum sambac absolutes, Narcissus jonquilla absolutes, Narcissus poeticus absolutes, Lavandula angustifolia absolutes from different suppliers and batches, the chemometric procedure including principal component analysis (PCA) was applied to classify the samples according to their genus and their species. Consistent results were obtained to show that samples could be successfully discriminated. Copyright © 2018 Elsevier B.V. All rights reserved.

What can (^3He,d) tell us about the structure of ^186,188Os

NASA Astrophysics Data System (ADS)

Phillips, A. A.; Garrett, P. E.; Demand, G. A.; Finlay, P.; Green, K. L.; Leach, K. G.; Schumaker, M. A.; Svensson, C. E.; Wong, J.; Hertenberger, R.; Faestermann, T.; Krücken, R.; Wirth, H.-F.; Bettermann, L.; Braun, N.; Burke, D. G.

2008-10-01

The structure of Os nuclei are of interest for a number of reasons including a debate over the vibrational nature of the K^π=4^+ bands, and a shape transition from well-deformed prolate to γ-soft oblate as the number of neutrons increases. In order to investigate the structure of ^186,188Os, we have performed a (^3He,d) reaction on targets of ^185,187Re. The 30 MeV ^3He beams were obtained from the LMU/TUM Tandem Accelerator facility, and the Q3D spectrometer was used to analyze deuterons with 13 keV energy resolution. The absolute cross sections were measured at 9 angles from 5^o to 50^o up to ˜3 MeV in excitation energy. Fingerprint patterns are used to identify orbitals coupled to the 5/2^+[402]π target configuration.

Fiber optic strain and temperature sensor for power plant applications

NASA Astrophysics Data System (ADS)

Narendran, Nadarajah; Weiss, Joseph M.

1996-01-01

The applicability of fiber-optic strain and temperature sensors to monitor power plant structures was evaluated on a super-heated steam pipe operating at 1000 degree(s)F at the Tennessee Valley Authority power plant in Kingston, Tennessee. The potential applications of these fiber-optic sensors include health monitoring of high-temperature structures such as boilers, tube headers, and steam pipes, as well as many other power plant structures exposed to less severe environments. The sensor selected for this application is based on a white-light interferometric technique. The key features of this sensor include its ability for absolute measurements that are not affected by light loss along the fiber cable due to, for example, microbending effects and coupler loss, its compatibility with off-the-shelf fiber-optic components, and its low cost. The glass fiber-optic strain sensors were packaged in a rugged metal housing and were spot welded to the high-temperature steam pipe. Another set of gages was placed inside a thermowell for steam temperature measurement. Data collected during a routine start-up is very encouraging and the details are presented in this manuscript.

Against Laplacian Reduction of Newtonian Mass to Spatiotemporal Quantities

NASA Astrophysics Data System (ADS)

Martens, Niels C. M.

2018-05-01

Laplace wondered about the minimal choice of initial variables and parameters corresponding to a well-posed initial value problem. Discussions of Laplace's problem in the literature have focused on choosing between spatiotemporal variables relative to absolute space (i.e. substantivalism) or merely relative to other material bodies (i.e. relationalism) and between absolute masses (i.e. absolutism) or merely mass ratios (i.e. comparativism). This paper extends these discussions of Laplace's problem, in the context of Newtonian Gravity, by asking whether mass needs to be included in the initial state at all, or whether a purely spatiotemporal initial state suffices. It is argued that mass indeed needs to be included; removing mass from the initial state drastically reduces the predictive and explanatory power of Newtonian Gravity.

Against Laplacian Reduction of Newtonian Mass to Spatiotemporal Quantities

NASA Astrophysics Data System (ADS)

Martens, Niels C. M.

2018-03-01

Laplace wondered about the minimal choice of initial variables and parameters corresponding to a well-posed initial value problem. Discussions of Laplace's problem in the literature have focused on choosing between spatiotemporal variables relative to absolute space (i.e. substantivalism) or merely relative to other material bodies (i.e. relationalism) and between absolute masses (i.e. absolutism) or merely mass ratios (i.e. comparativism). This paper extends these discussions of Laplace's problem, in the context of Newtonian Gravity, by asking whether mass needs to be included in the initial state at all, or whether a purely spatiotemporal initial state suffices. It is argued that mass indeed needs to be included; removing mass from the initial state drastically reduces the predictive and explanatory power of Newtonian Gravity.

The canonical methionine 392 of matrix metalloproteinase 2 (gelatinase A) is not required for catalytic efficiency or structural integrity: probing the role of the methionine-turn in the metzincin metalloprotease superfamily.

PubMed

Butler, Georgina S; Tam, Eric M; Overall, Christopher M

2004-04-09

Matrix metalloproteinases (MMPs) are an important family of extracellular proteases that process a variety of biologically significant molecules. MMPs are members of the metzincin superfamily of >770 zinc endopeptidases, which includes astacins, serralysins, adamalysins, leishmanolysins, and snapalysins. Metzincins are characterized by an absolutely conserved methionine residue COOH-terminal to the third histidine in the consensus sequence HEXXHXXGXX(H/D), where the histidine residues chelate a catalytic zinc ion. The canonical methionine is part of a tight 1,4-beta-turn that loops the polypeptide chain beneath the catalytic zinc ion, forming a hydrophobic floor to the Zn(2+) ion binding site. The role of this methionine is uncertain, but its absolute conservation indicates an essential catalytic or structural function. To investigate this hypothesis, we replaced Met-392 that forms the Met-turn of human MMP-2 (gelatinase A) by site-directed mutagenesis. The catalytic competence of leucine and serine mutants was assessed. (M392L)MMP-2 and (M392S)MMP-2 cleaved the physiological substrates gelatin, native type I collagen, and the chemokine monocyte chemoattractant protein-3 with similar efficiency to wild-type MMP-2. These mutants also cleaved two quenched fluorescent peptide substrates with a k(cat)/K(m) comparable to wild-type MMP-2 and underwent 4-aminophenylmercuric acetate-induced autoactivation with similar kinetics. (M392L)MMP-2 and (M392S)MMP-2 were inhibited by tissue inhibitor of metalloproteinases (TIMP)-1, -2, and -4 and by the zinc chelators 1,10-phenanthroline and a synthetic hydroxamate inhibitor, Batimastat, similar to the wild-type protein, indicating an unaltered active site topography. A tryptic susceptibility assay also suggested that (M392L)MMP-2 and (M392S)MMP-2 were correctly folded. These results challenge the dogma that this methionine residue and the Met-turn, which are absolutely conserved in all of the subfamilies of the metzincins, play an essential role in catalysis or active site structure.

Penicyclones A-E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2.

PubMed

Guo, Wenqiang; Zhang, Zhenzhen; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai

2015-11-25

Five new ambuic acid analogues, penicyclones A-E (1-5), were isolated from the extract of the deep-sea-derived fungus Penicillium sp. F23-2. The structures including the absolute configurations were established by interpretation of NMR and MS data, as well as the application of ECD, X-ray crystallography, and a chemical conversion, as well as the TDDFT-ECD calculations. Penicyclones A-E (1-5) exhibited antimicrobial activity against the Gram-positive bacterium Staphylococcus aureus with MIC values ranging from 0.3 to 1.0 μg/mL.

Brocaenols A-C: novel polyketides from a marine derived Penicillium brocae.

PubMed

Bugni, Tim S; Bernan, Valerie S; Greenstein, Michael; Janso, Jeffrey E; Maiese, William M; Mayne, Charles L; Ireland, Chris M

2003-03-07

Chemical investigation of a Penicillium brocae, obtained from a tissue sample of a Fijian Zyzyya sp. sponge, yielded two known diketopiperazines and three novel cytotoxic polyketides, brocaenols A-C. The brocaenols contain an unusual enolized oxepine lactone ring system that to the best of our knowledge is unprecedented in the literature. The structures were elucidated by using 2D-NMR methods including an INADEQUATE experiment. The absolute stereochemistry of brocaenol A was established by using a modified Mosher method. The taxonomy of the producing fungus was elucidated by using both morphological and rDNA sequence analysis.

Three new asperentin derivatives from the algicolous fungus Aspergillus sp. F00785.

PubMed

Tang, Qian; Guo, Kai; Li, Xiao-Yang; Zheng, Xiu-Ying; Kong, Xiang-Jian; Zheng, Zhong-Hui; Xu, Qing-Yan; Deng, Xianming

2014-12-15

Three new asperentin-type compounds, 6-O-α-d-ribosylasperentin (1) and 6-O-α-d-ribosyl-8-O-methylasperentin (2) and 5-hydroxyl-6-O-methylasperentin (3), along with asperentin (4) and its known analogues (5-9), were isolated from a halotolerant Aspergillus sp. strain F00785, an endotrophic fungus from marine alga. Their structures were determined using extensive NMR and HRESIMS spectroscopic analysis, including the X-ray crystallographic data for the assignment of the absolute configurations of compound 9. Compound 4 exhibited highly potent inhibitory activity against crop pathogens, Colletotrichum gleosporioides Penz. and Colletotrichum gleosporioides (Penz.) Sacc.

Sesquiterpenoids from the cultured mycelia of Ganoderma capense.

PubMed

Tan, Zhen; Zhao, Jinlian; Liu, Jimei; Zhang, Min; Chen, Ridao; Xie, Kebo; Dai, Jungui

2017-04-01

Eleven new sesquiterpenoids, including eight cadinane-type sesquiterpenoids, Ganodermanol A-H (1-8), and three eudesmane-type sesquiterpenoids, Ganodermanol I-K (9-11), together with three known compounds (12-14), were isolated from the cultured mycelia of Ganoderma capense. Their structures and absolute configurations were identified through combined extensive spectroscopic analysis, circular dichroism (CD), and Mo 2 (AcO) 4 -induced CD. Compounds 4 and 9 exhibited moderate cytotoxic activity against the human cancer cell line HCT116 with IC 50 values of 16.6 and 12.2μM, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Organizational Structure in the Delivery of Complex Services.

ERIC Educational Resources Information Center

Checkland, Beth Young

1984-01-01

Essential features of the absolute bureaucracy and the organic structure are outlined and related to intrinsic requirements for the provision of complex services such as teaching and counselling. The two organizational patterns are examined in terms of influence relationships, plasticity, and administrators' assumptions. (TE)

Zero absolute vorticity: insight from experiments in rotating laminar plane Couette flow.

PubMed

Suryadi, Alexandre; Segalini, Antonio; Alfredsson, P Henrik

2014-03-01

For pressure-driven turbulent channel flows undergoing spanwise system rotation, it has been observed that the absolute vorticity, i.e., the sum of the averaged spanwise flow vorticity and system rotation, tends to zero in the central region of the channel. This observation has so far eluded a convincing theoretical explanation, despite experimental and numerical evidence reported in the literature. Here we show experimentally that three-dimensional laminar structures in plane Couette flow, which appear under anticyclonic system rotation, give the same effect, namely, that the absolute vorticity tends to zero if the rotation rate is high enough. It is shown that this is equivalent to a local Richardson number of approximately zero, which would indicate a stable condition. We also offer an explanation based on Kelvin's circulation theorem to demonstrate that the absolute vorticity should remain constant and approximately equal to zero in the central region of the channel when going from the nonrotating fully turbulent state to any state with sufficiently high rotation.

Telling in-tune from out-of-tune: widespread evidence for implicit absolute intonation.

PubMed

Van Hedger, Stephen C; Heald, Shannon L M; Huang, Alex; Rutstein, Brooke; Nusbaum, Howard C

2017-04-01

Absolute pitch (AP) is the rare ability to name or produce an isolated musical note without the aid of a reference note. One skill thought to be unique to AP possessors is the ability to provide absolute intonation judgments (e.g., classifying an isolated note as "in-tune" or "out-of-tune"). Recent work has suggested that absolute intonation perception among AP possessors is not crystallized in a critical period of development, but is dynamically maintained by the listening environment, in which the vast majority of Western music is tuned to a specific cultural standard. Given that all listeners of Western music are constantly exposed to this specific cultural tuning standard, our experiments address whether absolute intonation perception extends beyond AP possessors. We demonstrate that non-AP listeners are able to accurately judge the intonation of completely isolated notes. Both musicians and nonmusicians showed evidence for absolute intonation recognition when listening to familiar timbres (piano and violin). When testing unfamiliar timbres (triangle and inverted sine waves), only musicians showed weak evidence of absolute intonation recognition (Experiment 2). Overall, these results highlight a previously unknown similarity between AP and non-AP possessors' long-term musical note representations, including evidence of sensitivity to frequency.

Picrotoxane sesquiterpenoids from the stems of Dendrobium nobile and their absolute configurations and angiogenesis effect.

PubMed

Meng, Chun-Wang; He, Yu-Lin; Peng, Cheng; Ding, Xing-Jie; Guo, Li; Xiong, Liang

2017-09-01

Five picrotoxane sesquiterpenoids belonging to the unusual dendrobine-type (1 and 4) and the picrotoxinin-type (2, 3, and 5) were isolated from the stems of Dendrobium nobile Lindl. Their structures were established by spectroscopic analyses and physical properties. Compound 1 was a new dendrobine analogue. Although the planar structure of 2 and 3 had been reported, their absolute configurations were first determined by single-crystal X-ray diffraction and circular dichroism. Compound 2 exhibited angiogenesis effect against sunitinib-induced damage on intersegmental blood vessels in Tg (flk1: EGFP) and Tg (fli1: nEGFP) transgenic zebrafish at concentrations of 3.13, 6.25, 12.50, and 25.00μM. Copyright © 2017. Published by Elsevier B.V.

Absolute configuration and crystal packing for three chiral drugs prone to spontaneous resolution: Guaifenesin, methocarbamol and mephenesin

NASA Astrophysics Data System (ADS)

Bredikhin, Alexander A.; Gubaidullin, Aidar T.; Bredikhina, Zemfira A.; Krivolapov, Dmitry B.; Pashagin, Alexander V.; Litvinov, Igor A.

2009-02-01

Popular chiral drugs, guaifenesin, methocarbamol, and mephenesin were investigated by single-crystal X-ray analysis both for enantiopure and racemic samples. The absolute configurations for all substances were established through Flack parameter method. The conglomerate-forming nature for the compounds was confirmed by equivalence of crystal characteristics of enantiopure and racemic samples. The molecular structures and crystal packing details were evaluated and compared with one another for all three investigated substances.

Spectra of random operators with absolutely continuous integrated density of states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rio, Rafael del, E-mail: delrio@iimas.unam.mx, E-mail: delriomagia@gmail.com

2014-04-15

The structure of the spectrum of random operators is studied. It is shown that if the density of states measure of some subsets of the spectrum is zero, then these subsets are empty. In particular follows that absolute continuity of the integrated density of states implies singular spectra of ergodic operators is either empty or of positive measure. Our results apply to Anderson and alloy type models, perturbed Landau Hamiltonians, almost periodic potentials, and models which are not ergodic.

A randomized trial of decision-making in asymptomatic carotid stenosis.

PubMed

Silver, B; Zaman, I F; Ashraf, K; Majed, Y; Norwood, E M; Schuh, L A; Smith, B J; Smith, R E; Schultz, L R

2012-01-31

We sought to evaluate whether different presentation formats, presenter characteristics, and patient characteristics affect decision-making in asymptomatic carotid stenosis. Subjects included individuals presenting to a neurology clinic. Participants included those over age 18 without known carotid stenosis. Subjects were randomized to a 30-second video with 1 of 5 presentation formats (absolute risk, absolute event-free survival, annualized absolute risk, relative risk, and a qualitative description) delivered by 1 of 4 presenter physicians (black woman, white woman, black man, white man). Subjects then completed a one-page form regarding background demographics and their decision regarding treatment choice. A total of 409 subjects watched the video and completed the survey. Overall, 48.4% of subjects chose surgery. Presentation format strongly predicted choice of surgery (qualitative [64%], relative risk [63%], absolute risk [43%], absolute event-free survival [37%], and annualized absolute risk [35%], p < 0.001). There was a trend for younger age (mean age 52 vs 55, p = 0.054), male gender (53% vs 45%, p = 0.08), and advanced education (42% for high school education or less vs 52% for more than high school education, p = 0.052) to predict surgery choice. Gender and race of presenter, and race of subject, had no influence on the choice of treatment. Presentation format (information framing) strongly determines patient decision-making in asymptomatic carotid stenosis. Subject age, gender, and education level may also influence the decision. Clinicians should consider the influence of these variables when counseling patients.

Absolute rather than relative income is a better socioeconomic predictor of chronic obstructive pulmonary disease in Swedish adults.

PubMed

Axelsson Fisk, Sten; Merlo, Juan

2017-05-04

While psychosocial theory claims that socioeconomic status (SES), acting through social comparisons, has an important influence on susceptibility to disease, materialistic theory says that socioeconomic position (SEP) and related access to material resources matter more. However, the relative role of SEP versus SES in chronic obstructive pulmonary disease (COPD) risk has still not been examined. We investigated the association between SES/SEP and COPD risk among 667 094 older adults, aged 55 to 60, residing in Sweden between 2006 and 2011. Absolute income in five groups by population quintiles depicted SEP and relative income expressed as quintile groups within each absolute income group represented SES. We performed sex-stratified logistic regression models to estimate odds ratios and the area under the receiver operator curve (AUC) to compare the discriminatory accuracy of SES and SEP in relation to COPD. Even though both absolute (SEP) and relative income (SES) were associated with COPD risk, only absolute income (SEP) presented a clear gradient, so the poorest had a three-fold higher COPD risk than the richest individuals. While the AUC for a model including only age was 0.54 and 0.55 when including relative income (SES), it increased to 0.65 when accounting for absolute income (SEP). SEP rather than SES demonstrated a consistent association with COPD. Our study supports the materialistic theory. Access to material resources seems more relevant to COPD risk than the consequences of low relative income.

Distinct sesquiterpene pyridine alkaloids from in Salvadoran and Peruvian Celastraceae species.

PubMed

Callies, Oliver; Núñez, Marvin J; Perestelo, Nayra R; Reyes, Carolina P; Torres-Romero, David; Jiménez, Ignacio A; Bazzocchi, Isabel L

2017-10-01

As part of a bioprospecting program aimed at the discovery of undescribed natural products from Salvadoran and Peruvian flora, the phytochemical investigations of four Celastraceae species, Celastrus vulcanicola, Maytenus segoviarum, Maytenus jeslkii, and Maytenus cuzcoina, were performed. The current study reports the isolation and structural characterization of five previously undescribed macrolide sesquiterpene pyridine alkaloids, named vulcanicoline-A, cuzcoinine, vulcanicoline-B, jelskiine, and vulcanicoline-C, along with sixteen known alkaloids. The structures of the alkaloids were established by spectrometric and extensive 1D and 2D NMR spectroscopic analysis, including COSY, HSQC, HMBC, and ROESY experiments. The absolute configurations of alkaloids were proposed based on optical rotation sign, and biogenetic considerations. This study represents the first phytochemical analysis of Maytenus segoviarum. Copyright © 2017 Elsevier Ltd. All rights reserved.

The impact of obesity on skeletal muscle strength and structure through adolescence to old age.

PubMed

Tomlinson, D J; Erskine, R M; Morse, C I; Winwood, K; Onambélé-Pearson, Gladys

2016-06-01

Obesity is associated with functional limitations in muscle performance and increased likelihood of developing a functional disability such as mobility, strength, postural and dynamic balance limitations. The consensus is that obese individuals, regardless of age, have a greater absolute maximum muscle strength compared to non-obese persons, suggesting that increased adiposity acts as a chronic overload stimulus on the antigravity muscles (e.g., quadriceps and calf), thus increasing muscle size and strength. However, when maximum muscular strength is normalised to body mass, obese individuals appear weaker. This relative weakness may be caused by reduced mobility, neural adaptations and changes in muscle morphology. Discrepancies in the literature remain for maximal strength normalised to muscle mass (muscle quality) and can potentially be explained through accounting for the measurement protocol contributing to muscle strength capacity that need to be explored in more depth such as antagonist muscle co-activation, muscle architecture, a criterion valid measurement of muscle size and an accurate measurement of physical activity levels. Current evidence demonstrating the effect of obesity on muscle quality is limited. These factors not being recorded in some of the existing literature suggest a potential underestimation of muscle force either in terms of absolute force production or relative to muscle mass; thus the true effect of obesity upon skeletal muscle size, structure and function, including any interactions with ageing effects, remains to be elucidated.

Limits to Open Class Performance?

NASA Technical Reports Server (NTRS)

Bowers, Albion H.

2008-01-01

This presentation discusses open or unlimited class aircraft performance limitations and design solutions. Limitations in this class of aircraft include slow climbing flight which requires low wing loading, high cruise speed which requires high wing loading, gains in induced or viscous drag alone which result in only half the gain overall and other structural problems (yaw inertia and spins, flutter and static loads integrity). Design solutions include introducing minimum induced drag for a given span (elliptical span load or winglets) and introducing minimum induced drag for a bell shaped span load. It is concluded that open class performance limits (under current rules and technologies) is very close to absolute limits, though some gains remain to be made from unexplored areas and new technologies.

A LEAST ABSOLUTE SHRINKAGE AND SELECTION OPERATOR (LASSO) FOR NONLINEAR SYSTEM IDENTIFICATION

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.; Lofberg, Johan; Brenner, Martin J.

2006-01-01

Identification of parametric nonlinear models involves estimating unknown parameters and detecting its underlying structure. Structure computation is concerned with selecting a subset of parameters to give a parsimonious description of the system which may afford greater insight into the functionality of the system or a simpler controller design. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of nonlinear systems. The LASSO minimises the residual sum of squares by the addition of a 1 penalty term on the parameter vector of the traditional 2 minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudolinear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. The performance of this LASSO structure detection method was evaluated by using it to estimate the structure of a nonlinear polynomial model. Applicability of the method to more complex systems such as those encountered in aerospace applications was shown by identifying a parsimonious system description of the F/A-18 Active Aeroelastic Wing using flight test data.

Structural plasticity in the language system related to increased second language proficiency.

PubMed

Stein, Maria; Federspiel, Andrea; Koenig, Thomas; Wirth, Miranka; Strik, Werner; Wiest, Roland; Brandeis, Daniel; Dierks, Thomas

2012-04-01

While functional changes linked to second language learning have been subject to extensive investigation, the issue of learning-dependent structural plasticity in the fields of bilingualism and language comprehension has so far received less notice. In the present study we used voxel-based morphometry to monitor structural changes occurring within five months of second language learning. Native English-speaking exchange students learning German in Switzerland were examined once at the beginning of their stay and once about five months later, when their German language skills had significantly increased. We show that structural changes in the left inferior frontal gyrus are correlated with the increase in second language proficiency as measured by a paper-and-pencil language test. Contrary to the increase in proficiency and grey matter, the absolute values of grey matter density and second language proficiency did not correlate (neither on first nor on second measurement). This indicates that the individual amount of learning is reflected in brain structure changes, regardless of absolute proficiency. Copyright © 2010 Elsevier Srl. All rights reserved.

Detecting Lung and Colorectal Cancer Recurrence Using Structured Clinical/Administrative Data to Enable Outcomes Research and Population Health Management.

PubMed

Hassett, Michael J; Uno, Hajime; Cronin, Angel M; Carroll, Nikki M; Hornbrook, Mark C; Ritzwoller, Debra

2017-12-01

Recurrent cancer is common, costly, and lethal, yet we know little about it in community-based populations. Electronic health records and tumor registries contain vast amounts of data regarding community-based patients, but usually lack recurrence status. Existing algorithms that use structured data to detect recurrence have limitations. We developed algorithms to detect the presence and timing of recurrence after definitive therapy for stages I-III lung and colorectal cancer using 2 data sources that contain a widely available type of structured data (claims or electronic health record encounters) linked to gold-standard recurrence status: Medicare claims linked to the Cancer Care Outcomes Research and Surveillance study, and the Cancer Research Network Virtual Data Warehouse linked to registry data. Twelve potential indicators of recurrence were used to develop separate models for each cancer in each data source. Detection models maximized area under the ROC curve (AUC); timing models minimized average absolute error. Algorithms were compared by cancer type/data source, and contrasted with an existing binary detection rule. Detection model AUCs (>0.92) exceeded existing prediction rules. Timing models yielded absolute prediction errors that were small relative to follow-up time (<15%). Similar covariates were included in all detection and timing algorithms, though differences by cancer type and dataset challenged efforts to create 1 common algorithm for all scenarios. Valid and reliable detection of recurrence using big data is feasible. These tools will enable extensive, novel research on quality, effectiveness, and outcomes for lung and colorectal cancer patients and those who develop recurrence.

Taxation of exhaustible resources. [Monograph

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dasgupta, P.; Heal, G.; Stiglitz, J.

1980-01-01

This paper analyzes the effect of taxation on the intertemporal allocation of an exhaustible resource. A general framework within which a large variety of taxes can be analyzed is developed and then applied to a number of specific taxes. It is shown that there exists a pattern of taxation which can generate essentially any desired pattern of resource usage. Many tax policies, however, have effects markedly different both from the effects that these policies would have in the case of produced commodities and from those which they are designed (or widely thought) to have. For instance, if extraction costs aremore » zero, a depletion allowance at a constant rate (widely thought to encourage the extraction of resources) has absolutely no effect; its gradual removal (usually thought to be preferable to a sudden removal) leads to faster rates of depletion (and lower prices) now, but higher prices in the future; which its sudden and unanticipated removal has absolutely no distortionary effect on the pattern of extraction. More generally, it is shown that the effects of tax structure on the patterns of extraction are critically dependent on expectations concerning future taxation. The changes in tax structure that have occurred in the past fifty years are of the kind that, if they were anticipated, (or if similar further changes are expected to occur in the future) lead to excessively fast exploitation of natural resources. However, if it is believed that current tax policies (including rates) will persist indefinitely, the current tax structure would lead to excessive conservationism. Thus, whether in fact current tax policies have lead to excessive conservationism is a moot question.« less

Correction to Method of Establishing the Absolute Radiometric Accuracy of Remote Sensing Systems While On-orbit Using Characterized Stellar Sources

NASA Technical Reports Server (NTRS)

Bowen, Howard S.; Cunningham, Douglas M.

2007-01-01

The contents include: 1) Brief history of related events; 2) Overview of original method used to establish absolute radiometric accuracy of remote sensing instruments using stellar sources; and 3) Considerations to improve the stellar calibration approach.

Generalized approach for using unbiased symmetric metrics with negative values: normalized mean bias factor and normalized mean absolute error factor

EPA Science Inventory

Unbiased symmetric metrics provide a useful measure to quickly compare two datasets, with similar interpretations for both under and overestimations. Two examples include the normalized mean bias factor and normalized mean absolute error factor. However, the original formulations...

Pressure And Thermal Modeling Of Rocket Launches

NASA Technical Reports Server (NTRS)

Smith, Sheldon D.; Myruski, Brian L.; Farmer, Richard C.; Freeman, Jon A.

1995-01-01

Report presents mathematical model for use in designing rocket-launching stand. Predicts pressure and thermal environment, as well as thermal responses of structures to impinging rocket-exhaust plumes. Enables relatively inexperienced analyst to determine time-varying distributions and absolute levels of pressure and heat loads on structures.

Treating kaposiform hemangioendothelioma with Kasabach-Merritt phenomenon by intralesional injection of absolute ethanol.

PubMed

Shen, Weimin; Cui, Jie; Chen, Jianbin; Zou, Jijun; Xiaoying, Zhang

2014-11-01

Kasabach-Merritt phenomenon (KMP) is characterized by thrombocytopenia, microangiopathic hemolytic anemia, consumptive coagulopathy, and an enlarging vascular lesion. It is a rare and life-threatening disease of vascular tumor. The purpose of this study was to assess the effectiveness of absolute ethanol in the treatment of KMP. We treated 8 pediatric patients with KMP by using absolute ethanol injections, whose cases failed previously when applied steroid therapy. We reviewed the clinical and laboratory data of these 8 cases at Nanjing Children's Hospital in China. Eight pediatric patients (5 female and 3 male) showed tumor regression after treatments. Core needle biopsy had been performed on the 8 patients, and the results included 7 kaposiform hemangioendotheliomas and one tufted angioma. All patients had an increase in platelet count. All coagulopathies were corrected. Complications included one patient with flush on face, one patient with needle scars, and one patient with a small area of local tissue necrosis. Absolute ethanol therapy presents a safe option in the treatment of KMP. Treatment-associated complications seemed to be reversible and acceptable by severity levels. Direct intralesional injection of absolute ethanol provides a simple and reliable alternative treatment for KMP among infants and may be used as the second-line therapy.

Cell wall microstructure, pore size distribution and absolute density of hemp shiv

PubMed Central

Lawrence, M.; Ansell, M. P.; Hussain, A.

2018-01-01

This paper, for the first time, fully characterizes the intrinsic physical parameters of hemp shiv including cell wall microstructure, pore size distribution and absolute density. Scanning electron microscopy revealed microstructural features similar to hardwoods. Confocal microscopy revealed three major layers in the cell wall: middle lamella, primary cell wall and secondary cell wall. Computed tomography improved the visualization of pore shape and pore connectivity in three dimensions. Mercury intrusion porosimetry (MIP) showed that the average accessible porosity was 76.67 ± 2.03% and pore size classes could be distinguished into micropores (3–10 nm) and macropores (0.1–1 µm and 20–80 µm). The absolute density was evaluated by helium pycnometry, MIP and Archimedes' methods. The results show that these methods can lead to misinterpretation of absolute density. The MIP method showed a realistic absolute density (1.45 g cm−3) consistent with the density of the known constituents, including lignin, cellulose and hemi-cellulose. However, helium pycnometry and Archimedes’ methods gave falsely low values owing to 10% of the volume being inaccessible pores, which require sample pretreatment in order to be filled by liquid or gas. This indicates that the determination of the cell wall density is strongly dependent on sample geometry and preparation. PMID:29765652

Cell wall microstructure, pore size distribution and absolute density of hemp shiv

NASA Astrophysics Data System (ADS)

Jiang, Y.; Lawrence, M.; Ansell, M. P.; Hussain, A.

2018-04-01

This paper, for the first time, fully characterizes the intrinsic physical parameters of hemp shiv including cell wall microstructure, pore size distribution and absolute density. Scanning electron microscopy revealed microstructural features similar to hardwoods. Confocal microscopy revealed three major layers in the cell wall: middle lamella, primary cell wall and secondary cell wall. Computed tomography improved the visualization of pore shape and pore connectivity in three dimensions. Mercury intrusion porosimetry (MIP) showed that the average accessible porosity was 76.67 ± 2.03% and pore size classes could be distinguished into micropores (3-10 nm) and macropores (0.1-1 µm and 20-80 µm). The absolute density was evaluated by helium pycnometry, MIP and Archimedes' methods. The results show that these methods can lead to misinterpretation of absolute density. The MIP method showed a realistic absolute density (1.45 g cm-3) consistent with the density of the known constituents, including lignin, cellulose and hemi-cellulose. However, helium pycnometry and Archimedes' methods gave falsely low values owing to 10% of the volume being inaccessible pores, which require sample pretreatment in order to be filled by liquid or gas. This indicates that the determination of the cell wall density is strongly dependent on sample geometry and preparation.

Femoral neck BMD is a strong predictor of hip fracture susceptibility in elderly men and women because it detects cortical bone instability: the Rotterdam Study.

PubMed

Rivadeneira, Fernando; Zillikens, M Carola; De Laet, Chris Edh; Hofman, Albert; Uitterlinden, André G; Beck, Thomas J; Pols, Huibert Ap

2007-11-01

We studied HSA measurements in relation to hip fracture risk in 4,806 individuals (2,740 women). Hip fractures (n = 147) occurred at the same absolute levels of bone instability in both sexes. Cortical instability (propensity of thinner cortices in wide diameters to buckle) explains why hip fracture risk at different BMD levels is the same across sexes. Despite the sexual dimorphism of bone, hip fracture risk is very similar in men and women at the same absolute BMD. We aimed to elucidate the main structural properties of bone that underlie the measured BMD and that ultimately determines the risk of hip fracture in elderly men and women. This study is part of the Rotterdam Study (a large prospective population-based cohort) and included 147 incident hip fracture cases in 4,806 participants with DXA-derived hip structural analysis (mean follow-up, 8.6 yr). Indices compared in relation to fracture included neck width, cortical thickness, section modulus (an index of bending strength), and buckling ratio (an index of cortical bone instability). We used a mathematical model to calculate the hip fracture distribution by femoral neck BMD, BMC, bone area, and hip structure analysis (HSA) parameters (cortical thickness, section modulus narrow neck width, and buckling ratio) and compared it with prospective data from the Rotterdam Study. In the prospective data, hip fracture cases in both sexes had lower BMD, thinner cortices, greater bone width, lower strength, and higher instability at baseline. In fractured individuals, men had an average BMD that was 0.09 g/cm(2) higher than women (p < 0.00001), whereas no significant difference in buckling ratios was seen. Modeled fracture distribution by BMD and buckling ratio levels were in concordance to the prospective data and showed that hip fractures seem to occur at the same absolute levels of bone instability (buckling ratio) in both men and women. No significant differences were observed between the areas under the ROC curves of BMD (0.8146 in women and 0.8048 in men) and the buckling ratio (0.8161 in women and 0.7759 in men). The buckling ratio (an index of bone instability) portrays in both sexes the critical balance between cortical thickness and bone width. Our findings suggest that extreme thinning of cortices in expanded bones plays a key role on local susceptibility to fracture. Even though the buckling ratio does not offer additional predictive value, these findings improve our understanding of why low BMD is a good predictor of fragility fractures.

Absolute Stability Analysis of a Phase Plane Controlled Spacecraft

NASA Technical Reports Server (NTRS)

Jang, Jiann-Woei; Plummer, Michael; Bedrossian, Nazareth; Hall, Charles; Jackson, Mark; Spanos, Pol

2010-01-01

Many aerospace attitude control systems utilize phase plane control schemes that include nonlinear elements such as dead zone and ideal relay. To evaluate phase plane control robustness, stability margin prediction methods must be developed. Absolute stability is extended to predict stability margins and to define an abort condition. A constrained optimization approach is also used to design flex filters for roll control. The design goal is to optimize vehicle tracking performance while maintaining adequate stability margins. Absolute stability is shown to provide satisfactory stability constraints for the optimization.

Absolute measurement of subnanometer scale vibration of cochlear partition of an excised guinea pig cochlea using spectral-domain phase-sensitive optical coherence tomography

NASA Astrophysics Data System (ADS)

Subhash, Hrebesh M.; Choudhury, Niloy; Jacques, Steven L.; Wang, Ruikang K.; Chen, Fangyi; Zha, Dingjun; Nuttall, Alfred L.

2012-01-01

Direct measurement of absolute vibration parameters from different locations within the mammalian organ of Corti is crucial for understanding the hearing mechanics such as how sound propagates through the cochlea and how sound stimulates the vibration of various structures of the cochlea, namely, basilar membrane (BM), recticular lamina, outer hair cells and tectorial membrane (TM). In this study we demonstrate the feasibility a modified phase-sensitive spectral domain optical coherence tomography system to provide subnanometer scale vibration information from multiple angles within the imaging beam. The system has the potential to provide depth resolved absolute vibration measurement of tissue microstructures from each of the delay-encoded vibration images with a noise floor of ~0.3nm at 200Hz.

Rhizovarins A-F, Indole-Diterpenes from the Mangrove-Derived Endophytic Fungus Mucor irregularis QEN-189.

PubMed

Gao, Shu-Shan; Li, Xiao-Ming; Williams, Katherine; Proksch, Peter; Ji, Nai-Yun; Wang, Bin-Gui

2016-08-26

Genome mining of the fungus Mucor irregularis (formerly known as Rhizomucor variabilis) revealed the presence of various gene clusters for secondary metabolite biosynthesis, including several terpene-based clusters. Investigation into the chemical diversity of M. irregularis QEN-189, an endophytic fungus isolated from the fresh inner tissue of the marine mangrove plant Rhizophora stylosa, resulted in the discovery of 20 structurally diverse indole-diterpenes including six new compounds, namely, rhizovarins A-F (1-6). Among them, compounds 1-3 represent the most complex members of the reported indole-diterpenes. The presence of an unusual acetal linked to a hemiketal (1) or a ketal (2 and 3) in an unprecedented 4,6,6,8,5,6,6,6,6-fused indole-diterpene ring system makes them chemically unique. Their structures and absolute configurations were elucidated by spectroscopic analysis, modified Mosher's method, and chemical calculations. Each of the isolated compounds was evaluated for antitumor activity against HL-60 and A-549 cell lines.

Near Real Time Structural Health Monitoring with Multiple Sensors in a Cloud Environment

NASA Astrophysics Data System (ADS)

Bock, Y.; Todd, M.; Kuester, F.; Goldberg, D.; Lo, E.; Maher, R.

2017-12-01

A repeated near real time 3-D digital surrogate representation of critical engineered structures can be used to provide actionable data on subtle time-varying displacements in support of disaster resiliency. We describe a damage monitoring system of optimally-integrated complementary sensors, including Global Navigation Satellite Systems (GNSS), Micro-Electro-Mechanical Systems (MEMS) accelerometers coupled with the GNSS (seismogeodesy), light multi-rotor Unmanned Aerial Vehicles (UAVs) equipped with high-resolution digital cameras and GNSS/IMU, and ground-based Light Detection and Ranging (LIDAR). The seismogeodetic system provides point measurements of static and dynamic displacements and seismic velocities of the structure. The GNSS ties the UAV and LIDAR imagery to an absolute reference frame with respect to survey stations in the vicinity of the structure to isolate the building response to ground motions. The GNSS/IMU can also estimate the trajectory of the UAV with respect to the absolute reference frame. With these constraints, multiple UAVs and LIDAR images can provide 4-D displacements of thousands of points on the structure. The UAV systematically circumnavigates the target structure, collecting high-resolution image data, while the ground LIDAR scans the structure from different perspectives to create a detailed baseline 3-D reference model. UAV- and LIDAR-based imaging can subsequently be repeated after extreme events, or after long time intervals, to assess before and after conditions. The unique challenge is that disaster environments are often highly dynamic, resulting in rapidly evolving, spatio-temporal data assets with the need for near real time access to the available data and the tools to translate these data into decisions. The seismogeodetic analysis has already been demonstrated in the NASA AIST Managed Cloud Environment (AMCE) designed to manage large NASA Earth Observation data projects on Amazon Web Services (AWS). The Cloud provides distinct advantages in terms of extensive storage and computing resources required for processing UAV and LIDAR imagery. Furthermore, it avoids single points of failure and allows for remote operations during emergencies, when near real time access to structures may be limited.

Fast Faraday Cup With High Bandwidth

DOEpatents

Deibele, Craig E [Knoxville, TN

2006-03-14

A circuit card stripline Fast Faraday cup quantitatively measures the picosecond time structure of a charged particle beam. The stripline configuration maintains signal integrity, and stitching of the stripline increases the bandwidth. A calibration procedure ensures the measurement of the absolute charge and time structure of the charged particle beam.

78 FR 52100 - National Organic Program; Proposed Amendments to the National List of Allowed and Prohibited...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-22

... least 90% biodegradation absolute or relative to microcrystalline cellulose in less than two years, in... standards for compostability, biodegradation, and biobased content be included at subparagraph (b)(2)(iii...% biodegradation absolute or relative to microcrystalline cellulose in less than two years, in soil, according to...

Six New Polyketide Decalin Compounds from Mangrove Endophytic Fungus Penicillium aurantiogriseum 328#

PubMed Central

Ma, Yanhong; Li, Jing; Huang, Meixiang; Liu, Lan; Wang, Jun; Lin, Yongcheng

2015-01-01

Six new compounds with polyketide decalin ring, peaurantiogriseols A–F (1–6), along with two known compounds, aspermytin A (7), 1-propanone,3-hydroxy-1-(1,2,4a,5,6,7,8,8a-octahydro-2,5-dihydroxy-1,2,6-trimethyl-1-naphthalenyl) (8), were isolated from the fermentation products of mangrove endophytic fungus Penicillium aurantiogriseum 328#. Their structures were elucidated based on their structure analysis. The absolute configurations of compounds 1 and 2 were determined by 1H NMR analysis of their Mosher esters; the absolute configurations of 3–6 were determined by using theoretical calculations of electronic circular dichroism (ECD). Compounds 1–8 showed low inhibitory activity against human aldose reductase, no activity of inducing neurite outgrowth, nor antimicrobial activity. PMID:26473887

Transport Structure and Energetic of the North Atlantic Current in Subpolar Gyre from Observations

NASA Astrophysics Data System (ADS)

Houpert, Loïc; Inall, Mark; Dumont, Estelle; Gary, Stefan; Porter, Marie; Johns, William; Cunningham, Stuart

2017-04-01

We present the first 2 years of UK-OSNAP glider missions on the Rockall Plateau in the North Atlantic subpolar gyre. From July 2014 to August 2016, 20 gliders sections were realized along 58°N, between 22°W and 15°W. Depth-averaged currents estimated from gliders show very strong values (up to 45cm.s-1) associated with meso-scale variability, due particularly to eddies and subpolar mode water formation. The variability of the flow on the eastern slope of the Iceland basin and on the Rockall Plateau is presented. Meridional absolute geostrophic transports are calculated from the glider data, and we discuss the vertical structure of the absolute meridional transport, especially the part associated with the North Atlantic Current.

Absolute Configuration of Andrographolide and Its Proliferation of Osteoblast Cell Lines

NASA Astrophysics Data System (ADS)

Chantrapromma, S.; Boonnak, N.; Pitakpornpreecha, T.; Yordthong, T.; Chidan Kumar, C. S.; Fun, H. K.

2018-05-01

Andrographolide, C20H30O5, is a labdane diterpenoid which was isolated from the leave of Andrographis paniculata. Its crystal structure is determined by single crystal X-ray diffraction: monoclinic, sp. gr. P21, Z = 2. Absolute configuration is determined by the refinement of the Flack parameter to 0.21(19). In the crystal, molecules are linked by O-H···O hydrogen bonds and C-H···O interactions into two dimensional network parallel to the (001) plane. Its proliferation of osteoblast cell lines is reported.

SU-F-T-227: A Comprehensive Patient Specific, Structure Specific, Pre-Treatment 3D QA Protocol for IMRT, SBRT and VMAT - Clinical Experience

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gueorguiev, G; Cotter, C; Young, M

2016-06-15

Purpose: To present a 3D QA method and clinical results for 550 patients. Methods: Five hundred and fifty patient treatment deliveries (400 IMRT, 75 SBRT and 75 VMAT) from various treatment sites, planned on Raystation treatment planning system (TPS), were measured on three beam-matched Elekta linear accelerators using IBA’s COMPASS system. The difference between TPS computed and delivered dose was evaluated in 3D by applying three statistical parameters to each structure of interest: absolute average dose difference (AADD, 6% allowed difference), absolute dose difference greater than 6% (ADD6, 4% structure volume allowed to fail) and 3D gamma test (3%/3mm DTA,more » 4% structure volume allowed to fail). If the allowed value was not met for a given structure, manual review was performed. The review consisted of overlaying dose difference or gamma results with the patient CT, scrolling through the slices. For QA to pass, areas of high dose difference or gamma must be small and not on consecutive slices. For AADD to manually pass QA, the average dose difference in cGy must be less than 50cGy. The QA protocol also includes DVH analysis based on QUANTEC and TG-101 recommended dose constraints. Results: Figures 1–3 show the results for the three parameters per treatment modality. Manual review was performed on 67 deliveries (27 IMRT, 22 SBRT and 18 VMAT), for which all passed QA. Results show that statistical parameter AADD may be overly sensitive for structures receiving low dose, especially for the SBRT deliveries (Fig.1). The TPS computed and measured DVH values were in excellent agreement and with minimum difference. Conclusion: Applying DVH analysis and different statistical parameters to any structure of interest, as part of the 3D QA protocol, provides a comprehensive treatment plan evaluation. Author G. Gueorguiev discloses receiving travel and research funding from IBA for unrelated to this project work. Author B. Crawford discloses receiving travel funding from IBA for unrelated to this project work.« less

Assessing epistemic sophistication by considering domain-specific absolute and multiplicistic beliefs separately.

PubMed

Peter, Johannes; Rosman, Tom; Mayer, Anne-Kathrin; Leichner, Nikolas; Krampen, Günter

2016-06-01

Particularly in higher education, not only a view of science as a means of finding absolute truths (absolutism), but also a view of science as generally tentative (multiplicism) can be unsophisticated and obstructive for learning. Most quantitative epistemic belief inventories neglect this and understand epistemic sophistication as disagreement with absolute statements. This article suggests considering absolutism and multiplicism as separate dimensions. Following our understanding of epistemic sophistication as a cautious and reluctant endorsement of both positions, we assume evaluativism (a contextually adaptive view of knowledge as personally constructed and evidence-based) to be reflected by low agreement with both generalized absolute and generalized multiplicistic statements. Three studies with a total sample size of N = 416 psychology students were conducted. A domain-specific inventory containing both absolute and multiplicistic statements was developed. Expectations were tested by exploratory factor analysis, confirmatory factor analysis, and correlational analyses. Results revealed a two-factor solution with an absolute and a multiplicistic factor. Criterion validity of both factors was confirmed. Cross-sectional analyses revealed that agreement to generalized multiplicistic statements decreases with study progress. Moreover, consistent with our understanding of epistemic sophistication as a reluctant attitude towards generalized epistemic statements, evidence for a negative relationship between epistemic sophistication and need for cognitive closure was found. We recommend including multiplicistic statements into epistemic belief questionnaires and considering them as a separate dimension, especially when investigating individuals in later stages of epistemic development (i.e., in higher education). © 2015 The British Psychological Society.

Online structural elucidation of alkaloids and other constituents in crude extracts and cultured cells of Nandina domestica by combination of LC-MS/MS, LC-NMR, and LC-CD analyses.

PubMed

Iwasa, Kinuko; Takahashi, Teturo; Nishiyama, Yumi; Moriyasu, Masataka; Sugiura, Makiko; Takeuchi, Atsuko; Tode, Chisato; Tokuda, Harukuni; Takeda, Kazuyoshi

2008-08-01

The combination of NMR, MS, and CD data permitted the structural elucidation including the absolute configuration of the known alkaloids and unknown components in the extract matrix solution of Nandina domestica without isolation and sample purification prior to the coupling experiments. Unstable natural stereoisomers were identified by LC-NMR and LC-MS. Five known alkaloids, (S)-isoboldine, (S)-domesticine, (S)-nantenine, sinoacutine, and menispermine, were identified from N. domestica. O-Methylpallidine and (E, E)-, (E, Z)-, and (Z, Z)-terrestribisamide were also characterized for the first time from this plant. Known jatrorrhizine, palmatine, and berberine and unknown (R)-carnegine and (E, E)-, (E, Z)-, and (Z, Z)-terrestribisamide were identified in the callus of N. domestica.

Dammarane-type triterpenes from the Brazilian medicinal plant Cordia multispicata.

PubMed

Kuroyanagi, Masanori; Kawahara, Nobuo; Sekita, Setsuko; Satake, Motoyoshi; Hayashi, Tatsuo; Takase, Yoichi; Masuda, Kazuo

2003-10-01

From the Brazilian medicinal plant Carucaá (Cordia multispicata), oleanane- and ursane-type triterpenoids were previously reported as anti-androgenic constituents of the plant. In this study, purification of the polar elements of the EtOAc-soluble fraction of the plant revealed nine novel dammarane-type triterpenes, named cordianols A-I (1-9) along with the known compound cordialin A (10). The structures of these new compounds were elucidated by means of spectral methods including HRFABMS, (1)H NMR, (13)C NMR, and 2D NMR (HMQC, HMBC, NOESY). Absolute configuration at C-23 of compound 7 was determined by an excitone chirality method. Some of these new compounds revealed a hemiketal structure on the A ring and a hydroxylated or epoxidated 20(22)-(E)-ene side chain and showed weak anti-androgenic activity.

Nanomolar detection of hypochlorite by a rhodamine-based chiral hydrazide in absolute aqueous media: application in tap water analysis with live-cell imaging.

PubMed

Goswami, Shyamaprosad; Das, Avijit Kumar; Manna, Abhishek; Maity, Anup Kumar; Saha, Partha; Quah, Ching Kheng; Fun, Hoong-Kun; Abdel-Aziz, Hatem A

2014-07-01

By employing the oxidation property of hypochlorite (OCl(-)), a novel rhodamine-based hydrazide of the chiral acid ((S)-(-)-2-pyrrolidone-5-carboxylic acid) (RHHP) was designed and synthesized for detection of OCl(-) absolutely in aqueous medium at nanomolar level. The structure of the chiral sensor was also proved by the X-ray crystallography. The bioactivity and the application of the probe for detection of OCl(-) in natural water system have been demonstrated. A plausible mechanism for oxidation of the sensor followed by hydrolysis is also proposed. The sensibility of the receptor toward OCl(-) was studied in absolute aqueous media, and the detection limit of hypochlorite-mediated oxidation to the receptor in nanomolar level makes this platform (RHHP) an ultrasensitive and unique system for OCl(-) oxidation.

A set of interesting sequoiatones stereoisomers from a wetland soil-derived fungus Talaromyces flavus.

PubMed

Sun, Tianyu; Zou, Jian; Chen, Guodong; Hu, Dan; Wu, Bin; Liu, Xingzhong; Yao, Xinsheng; Gao, Hao

2017-03-01

Four interesting sequoiatones stereoisomers ( 1 - 4 ) were isolated from a wetland soil-derived fungus Talaromyces flavus by chiral HPLC. On the basis of comprehensive NMR and mass analyses, their planar structures were elucidated as the same as that of sequoiatone B. Among them, 1 and 3 (or 2 and 4 ) were a pair of enantiomers, and 1 and 2 (or 3 and 4 ) were a pair of stereoisomers with epimerization at C-12, which indicated that sequoiatione-type metabolites exist as enantiomers rather than as optically pure compounds in some strains. With the quantum chemical ECD calculations, the absolute configurations of C-8 in 1 - 4 were determined, which is the first report to establish the absolute configuration of C-8 in sequoiatones. However, the absolute configurations of C-12 in sequoiatones are still unsolved.

Quark-parton model from dual topological unitarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cohen-Tannoudji, G.; El Hassouni, A.; Kalinowski, J.

1979-06-01

Topology, which occurs in the topological expansion of quantum chromodynamics (QCD) and in the dual topological unitarization (DTU) schemes, allows us to establish a quantitative correspondence between QCD and the dual S-matrix approaches. This topological correspondence, proposed by Veneziano and made more explicit in a recent paper for current-induced reactions, provides a clarifying and unifying quark-parton interpretation of soft inclusive processes. Precise predictions for inclusive cross sections in hadron-hadron collisions, structure functions of hadrons, and quark fragmentation functions including absolute normalizations are shown to agree with data. On a more theoretical ground the proposed scheme suggests a new approach tomore » the confinement problem.« less

Pestalpolyols A-D, Cytotoxic Polyketides from Pestalotiopsis sp. cr013.

PubMed

Li, Jing; Xie, Jin; Yang, Yin-He; Li, Xiao-Lian; Zeng, Ying; Zhao, Pei-Ji

2015-09-01

Four novel polyketides, named pestalpolyols A (1), B (2), C (3), and D (4), were isolated from solid fermentation products of Pestalotiopsis sp. cr013. Their structures were elucidated by extensive spectroscopic methods, including 1D and 2D nuclear magnetic resonance and high-resolution electrospray ionization mass spectrometry experiments, and the absolute configuration was confirmed by single-crystal X-ray diffraction analysis using the anomalous scattering of Cu Kα radiation. The inhibitory activities of compounds 1, 2, and 4 against five human tumor lines were tested in vitro, and showed IC50 values 2.3-31.2 µM. Georg Thieme Verlag KG Stuttgart · New York.

Microcionamides A and B, bioactive peptides from the philippine sponge Clathria (Thalysias) abietina.

PubMed

Davis, Rohan A; Mangalindan, Gina C; Bojo, Zenaida P; Antemano, Rowena R; Rodriguez, Nell O; Concepcion, Gisela P; Samson, Shiela C; de Guzman, Dennis; Cruz, Lourdes J; Tasdemir, Deniz; Harper, Mary Kay; Feng, Xidong; Carter, Guy T; Ireland, Chris M

2004-06-11

Microcionamides A (1) and B (2) have been isolated from the Philippine marine sponge Clathria (Thalysias) abietina. These new linear peptides are cyclized via a cystine moiety and have their C-terminus blocked by a 2-phenylethylenamine group. Their total structures, including absolute stereochemistry, were determined by a combination of spectral and chemical methods. Compound 1 was shown to slowly isomerize about the C-36/C-37 double bond when stored in DMSO. Microcionamides A (1) and B (2) exhibited significant cytotoxicity against the human breast tumor cells lines MCF-7 and SKBR-3 and displayed inhibitory activity against Mycobacterium tuberculosis H(37)Ra.

An Unusual Conformational Isomer of Verrucosidin Backbone from a Hydrothermal Vent Fungus, Penicillium sp. Y-50-10.

PubMed

Pan, Chengqian; Shi, Yutong; Auckloo, Bibi Nazia; Chen, Xuegang; Chen, Chen-Tung Arthur; Tao, Xinyi; Wu, Bin

2016-08-18

A new verrucosidin derivative, methyl isoverrucosidinol (1), was isolated from the marine fungus Penicillium sp. Y-50-10, dwelling in sulfur rich sediment in the Kueishantao hydrothermal vents off Taiwan. The structure was established by spectroscopic means including HRMS and 2D-NMR spectroscopic analysis. The absolute configuration was defined mainly by comparison of quantum chemical TDDFT calculated and experimental ECD spectra. Among hitherto known compounds with a verrucosidine backbone isolated from natural resource, compound 1 represents the first example of a new conformational isomer of its skeleton, exhibiting antibiotic activity against Bacillus subtilis with MIC value 32 μg/mL.

Penixanthones A and B, two new xanthone derivatives from fungus Penicillium sp. SYFz-1 derived of mangrove soil sample.

PubMed

Tao, Huaming; Wei, Xiaoyi; Lin, Xiuping; Zhou, Xuefeng; Dong, Junde; Yang, Bin

2017-10-01

Two new xanthone derivatives, penixanthones A (1) and B (2), together with three known compounds, aspenicillide (3), 1,5-dihydroxy-3-methoxy-7-methyl-anthracene-9,10-dione (4) and 1,2-indandiol (5), were isolated from the ethyl acetate extract of a culture of the fungus Penicillium sp. SYFz-1, which was separated from a mangrove soil sample. The structures of these compounds were elucidated by spectroscopic methods including NMR and mass spectrometry. The absolute configurations of penixanthones A (1) and B (2) were determined on the basis of electronic circular dichroism (ECD) data analysis.

Dysidinoid A, an unusual meroterpenoid with anti-MRSA activity from the South China Sea sponge Dysidea sp.

PubMed

Jiao, Wei-Hua; Li, Jing; Liu, Qian; Xu, Ting-Ting; Shi, Guo-Hua; Yu, Hao-Bing; Yang, Fan; Han, Bing-Nan; Li, Min; Lin, Hou-Wen

2014-11-05

An unusual meroterpenoid, dysidinoid A (1), was isolated from the South China Sea sponge Dysidea sp. Its structure was elucidated by extensive spectroscopic methods including HRESIMS and 2D NMR, and its absolute configuration was determined by single-crystal X-ray diffraction analysis. Dysidinoid A (1) is the first meroterpenoid from Nature bearing a 9,4-friedodrime skeleton and a 2,5-dionepyrrole unit. Dysidinoid A (1) showed potent antibacterial activity against two strains of pathogenic bacteria methicillin-resistant Staphylococcus aureus (MRSA) with MIC90 values of 8.0 μg/mL against both.

Three New Asperentin Derivatives from the Algicolous Fungus Aspergillus sp. F00785

PubMed Central

Tang, Qian; Guo, Kai; Li, Xiao-Yang; Zheng, Xiu-Ying; Kong, Xiang-Jian; Zheng, Zhong-Hui; Xu, Qing-Yan; Deng, Xianming

2014-01-01

Three new asperentin-type compounds, 6-O-α-d-ribosylasperentin (1) and 6-O-α-d-ribosyl-8-O-methylasperentin (2) and 5-hydroxyl-6-O-methylasperentin (3), along with asperentin (4) and its known analogues (5–9), were isolated from a halotolerant Aspergillus sp. strain F00785, an endotrophic fungus from marine alga. Their structures were determined using extensive NMR and HRESIMS spectroscopic analysis, including the X-ray crystallographic data for the assignment of the absolute configurations of compound 9. Compound 4 exhibited highly potent inhibitory activity against crop pathogens, Colletotrichum gleosporioides Penz. and Colletotrichum gleosporioides (Penz.) Sacc. PMID:25517217

Further New Diterpenoids as PTP1B Inhibitors from the Xisha Soft Coral Sinularia polydactyla.

PubMed

Ye, Fei; Zhu, Zheng-Dan; Gu, Yu-Cheng; Li, Jia; Zhu, Wei-Liang; Guo, Yue-Wei

2018-03-25

A new prenyleudesmane type diterpene, sinupol ( 8 ), and a new capnosane type diterpenoid, sinulacetate ( 9 ), were isolated from the Xisha soft coral Sinularia polydactyla along with five known related diterpenes ( 4 - 7 and 10 ). Their structures, including absolute configurations, were determined by extensive spectroscopic analysis, the comparison of their NMR data with those of related compounds, and time-dependent density functional theory electronic circular dichroism (TDDFT ECD) calculations. Both new compounds ( 8 and 9 ) exhibited promising inhibitory activity against protein tyrosine phosphatase 1B (PTP1B), a potential drug target for the treatment of type II diabetes and obesity.

N2 Temperature of Vibration instrument for sounding rocket observation in the lower thermosphere

NASA Astrophysics Data System (ADS)

Kurihara, J.; Iwagami, N.; Oyama, K.-I.

2013-11-01

The N2 Temperature of Vibration (NTV) instrument was developed to study energetics and structure of the lower thermosphere, applying the Electron Beam Fluorescence (EBF) technique to measurements of vibrational temperature, rotational temperature and number density of atmospheric N2. The sounding rocket experiments using this instrument have been conducted four times, including one failure of the electron gun. Aerodynamic effects on the measurement caused by the supersonic motion of the rocket were analyzed quantitatively using three-dimensional simulation of Direct Simulation Monte Carlo (DSMC) method, and the absolute density profile was obtained through the correction of the spin modulation.

Wide-temperature integrated operational amplifier

NASA Technical Reports Server (NTRS)

Mojarradi, Mohammad (Inventor); Levanas, Greg (Inventor); Chen, Yuan (Inventor); Cozy, Raymond S. (Inventor); Greenwell, Robert (Inventor); Terry, Stephen (Inventor); Blalock, Benjamin J. (Inventor)

2009-01-01

The present invention relates to a reference current circuit. The reference circuit comprises a low-level current bias circuit, a voltage proportional-to-absolute temperature generator for creating a proportional-to-absolute temperature voltage (VPTAT), and a MOSFET-based constant-IC regulator circuit. The MOSFET-based constant-IC regulator circuit includes a constant-IC input and constant-IC output. The constant-IC input is electrically connected with the VPTAT generator such that the voltage proportional-to-absolute temperature is the input into the constant-IC regulator circuit. Thus the constant-IC output maintains the constant-IC ratio across any temperature range.

The Structure of Public Boards Does Matter

ERIC Educational Resources Information Center

Spanier, Graham; Baldwin, Cynthia

2004-01-01

The responsibilities of university presidents and board chairs have evolved significantly from the early days of public higher education. There was a time when the power of the board was absolute, but those days are long gone, and it remains an open question whether the structures of public boards have kept pace with the complex social…

Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction.

PubMed

Kuhn, Stefan; Egert, Björn; Neumann, Steffen; Steinbeck, Christoph

2008-09-25

Current efforts in Metabolomics, such as the Human Metabolome Project, collect structures of biological metabolites as well as data for their characterisation, such as spectra for identification of substances and measurements of their concentration. Still, only a fraction of existing metabolites and their spectral fingerprints are known. Computer-Assisted Structure Elucidation (CASE) of biological metabolites will be an important tool to leverage this lack of knowledge. Indispensable for CASE are modules to predict spectra for hypothetical structures. This paper evaluates different statistical and machine learning methods to perform predictions of proton NMR spectra based on data from our open database NMRShiftDB. A mean absolute error of 0.18 ppm was achieved for the prediction of proton NMR shifts ranging from 0 to 11 ppm. Random forest, J48 decision tree and support vector machines achieved similar overall errors. HOSE codes being a notably simple method achieved a comparatively good result of 0.17 ppm mean absolute error. NMR prediction methods applied in the course of this work delivered precise predictions which can serve as a building block for Computer-Assisted Structure Elucidation for biological metabolites.

Spectroradiometric considerations for advanced land observing systems

NASA Technical Reports Server (NTRS)

Slater, P. N.

1986-01-01

Research aimed at improving the inflight absolute radiometric calibration of advanced land observing systems was initiated. Emphasis was on the satellite sensor calibration program at White Sands. Topics addressed include: absolute radiometric calibration of advanced remote sensing; atmospheric effects on reflected radiation; inflight radiometric calibration; field radiometric methods for reflectance and atmospheric measurement; and calibration of field relectance radiometers.

12 CFR Appendix B to Part 3 - Risk-Based Capital Guidelines; Market Risk Adjustment

Code of Federal Regulations, 2012 CFR

2012-01-01

...-zero specific risk capital charge. (A) For covered debt positions that are derivatives, a bank must... (including derivatives) in identical debt issues or indices. (iii) A bank must multiply the absolute value of... multiply the absolute value of the current market value of each net long or short covered equity position...

Structured physician order entry for trauma CT: value in improving clinical information transfer and billing efficiency.

PubMed

Wortman, Jeremy R; Goud, Asha; Raja, Ali S; Marchello, Dana; Sodickson, Aaron

2014-12-01

The purpose of this study was to measure the effects of use of a structured physician order entry system for trauma CT on the communication of clinical information and on coding practices and reimbursement efficiency. This study was conducted between April 1, 2011, and January 14, 2013, at a level I trauma center with 59,000 annual emergency department visits. On March 29, 2012, a structured order entry system was implemented for head through pelvis trauma CT, so-called pan-scan CT. This study compared the following factors before and after implementation: communication of clinical signs and symptoms and mechanism of injury, primary International Classification of Diseases, 9th revision, Clinical Modification (ICD-9-CM) code category, success of reimbursement, and time required for successful reimbursement for the examination. Chi-square statistics were used to compare all categoric variables before and after the intervention, and the Wilcoxon rank sum test was used to compare billing cycle times. A total of 457 patients underwent pan-scan CT in 2734 distinct examinations. After the intervention, there was a 62% absolute increase in requisitions containing clinical signs or symptoms (from 0.4% to 63%, p<0.0001) and a 99% absolute increase in requisitions providing mechanism of injury (from 0.4% to 99%, p<0.0001). There was a 19% absolute increase in primary ICD-9-CM codes representing clinical signs or symptoms (from 2.9% to 21.8%, p<0.0001), and a 7% absolute increase in reimbursement success for examinations submitted to insurance carriers (from 83.0% to 89.7%, p<0.0001). For reimbursed studies, there was a 14.7-day reduction in mean billing cycle time (from 68.4 days to 53.7 days, p=0.008). Implementation of structured physician order entry for trauma CT was associated with significant improvement in the communication of clinical history to radiologists. The improvement was also associated with changes in coding practices, greater billing efficiency, and an increase in reimbursement success.

Designer nanomaterials using chiral self-assembling peptide systems and their emerging benefit for society.

PubMed

Luo, Zhongli; Zhang, Shuguang

2012-07-07

Chirality is absolutely central in chemistry and biology. The recent findings of chiral self-assembling peptides' remarkable chemical complementarity and structural compatibility make it one of the most inspired designer materials and structures in nanobiotechnology. The emerging field of designer chemistry and biology further explores biological and medical applications of these simple D,L- amino acids through producing marvellous nanostructures under physiological conditions. These self-assembled structures include well-ordered nanofibers, nanotubes and nanovesicles. These structures have been used for 3-dimensional tissue cultures of primary cells and stem cells, sustained release of small molecules, growth factors and monoclonal antibodies, accelerated wound-healing in reparative and regenerative medicine as well as tissue engineering. Recent advances in molecular designs have also led to the development of 3D fine-tuned bioactive tissue culture scaffolds. They are also used to stabilize membrane proteins including difficult G-protein coupled receptors for designing nanobiodevices. One of the self-assembling peptides has been used in human clinical trials for accelerated wound-healings. It is our hope that these peptide materials will open doors for more and diverse clinical uses. The field of chiral self-assembling peptide nanobiotechnology is growing in a number of directions that has led to many surprises in areas of novel materials, synthetic biology, clinical medicine and beyond.

Discrete distributed strain sensing of intelligent structures

NASA Technical Reports Server (NTRS)

Anderson, Mark S.; Crawley, Edward F.

1992-01-01

Techniques are developed for the design of discrete highly distributed sensor systems for use in intelligent structures. First the functional requirements for such a system are presented. Discrete spatially averaging strain sensors are then identified as satisfying the functional requirements. A variety of spatial weightings for spatially averaging sensors are examined, and their wave number characteristics are determined. Preferable spatial weightings are identified. Several numerical integration rules used to integrate such sensors in order to determine the global deflection of the structure are discussed. A numerical simulation is conducted using point and rectangular sensors mounted on a cantilevered beam under static loading. Gage factor and sensor position uncertainties are incorporated to assess the absolute error and standard deviation of the error in the estimated tip displacement found by numerically integrating the sensor outputs. An experiment is carried out using a statically loaded cantilevered beam with five point sensors. It is found that in most cases the actual experimental error is within one standard deviation of the absolute error as found in the numerical simulation.

Redetermined structure, inter-molecular inter-actions and absolute configuration of royleanone.

PubMed

Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok

2011-05-01

The structure of the title diterpenoid, C(20)H(28)O(3), {systematic name: (4bS,8aS)-3-hy-droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa-hydro-phenanthrene-1,4-dione} is confirmed [Eugster et al. (1993 ▶). Private communication (refcode HACGUN). CCDC, Union Road, Cambridge] and its packing is now described. Its absolute structure was established by refinement against data collected with Cu radiation: the two stereogenic centres both have S configurations. One cyclo-hexane ring adopts a chair conformation whereas the other cyclo-hexane ring is in a half-chair conformation and the benzoquinone ring is slightly twisted. An intra-molecular O-H⋯O hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into chains along [010] by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. The packing also features C⋯O [3.131 (3) Å] short contacts.

Impact History of the Moon

NASA Astrophysics Data System (ADS)

Cohen, B. A.; Bottke, W. F.; Norman, M. V.; van der Bogert, C. H.; Fassett, C. I.; Hiesinger, H.; Joy, K. H.; Mazrouei, S. A.; Nemchin, A.; Neumann, G. A.; Zellner, N. E. B.

2018-04-01

Establishing an absolute planetary chronology has important ramifications for understanding the early structure of the solar system and the geologic history of the planets. The Moon is the cornerstone for understanding this impact history.

Effect of Absolute From Hibiscus syriacus L. Flower on Wound Healing in Keratinocytes.

PubMed

Yoon, Seok Won; Lee, Kang Pa; Kim, Do-Yoon; Hwang, Dae Il; Won, Kyung-Jong; Lee, Dae Won; Lee, Hwan Myung

2017-01-01

Proliferation and migration of keratinocytes are essential for the repair of cutaneous wounds. Hibiscus syriacus L. has been used in Asian medicine; however, research on keratinocytes is inadequate. To establish the dermatological properties of absolute from Hibiscus syriacus L. flower (HSF) and to provide fundamental research for alternative medicine. We identified the composition of HSF absolute using gas chromatography-mass spectrometry analysis. We also examined the effect of HSF absolute in HaCaT cells using the XTT assay, Boyden chamber assay, sprout-out growth assay, and western blotting. We conducted an in-vivo wound healing assay in rat tail-skin. Ten major active compounds were identified from HSF absolute. As determined by the XTT assay, Boyden chamber assay, and sprout-out growth assay results, HSF absolute exhibited similar effects as that of epidermal growth factor on the proliferation and migration patterns of keratinocytes (HaCaT cells), which were significantly increased after HSF absolute treatment. The expression levels of the phosphorylated signaling proteins relevant to proliferation, including extracellular signal-regulated kinase 1/2 (Erk 1/2) and Akt, were also determined by western blot analysis. These results of our in-vitro and ex-vivo studies indicate that HSF absolute induced cell growth and migration of HaCaT cells by phosphorylating both Erk 1/2 and Akt. Moreover, we confirmed the wound-healing effect of HSF on injury of the rat tail-skin. Therefore, our results suggest that HSF absolute is promising for use in cosmetics and alternative medicine. Hisbiscus syriacus L. flower absolute increases HaCaT cell migration and proliferation. Hisbiscus syriacus L. flower absolute regulates phosphorylation of ERK 1/2 and Akt in HaCaT cell.Treatment with Hisbiscus syriacus L. flower induced sprout outgrowth.The wound in the tail-skin of rat was reduced by Hisbiscus syriacus L. flower absolute Abbreviations used: HSF: Hibiscus syriacus L. flower, Erk 1/2: extracellular signal-regulated kinase 1/2, EGF: epidermal growth factor, GC/MS: gas chromatography-mass spectrometry, DMEM: dulbecco's modified eagle medium, FBS: fetal bovine serum, BSA: bovine serum albumin, p-Akt: phosphorylation of Akt, p-Erk 1/2: phosphorylation of Erk 1/2.

Exploration of the utility of ancestry informative markers for genetic association studies of African Americans with type 2 diabetes and end stage renal disease.

PubMed

Keene, Keith L; Mychaleckyj, Josyf C; Leak, Tennille S; Smith, Shelly G; Perlegas, Peter S; Divers, Jasmin; Langefeld, Carl D; Freedman, Barry I; Bowden, Donald W; Sale, Michèle M

2008-09-01

Admixture and population stratification are major concerns in genetic association studies. We wished to evaluate the impact of admixture using empirically derived data from genetic association studies of African Americans (AA) with type 2 diabetes (T2DM) and end-stage renal disease (ESRD). Seventy ancestry informative markers (AIMs) were genotyped in 577 AA with T2DM-ESRD, 596 AA controls, 44 Yoruba Nigerian (YRI) and 39 European American (EA) controls. Genotypic data and association results for eight T2DM candidate gene studies in our AA population were included. Ancestral estimates were calculated using FRAPPE, ADMIXMAP and STRUCTURE for all AA samples, using varying numbers of AIMs (25, 50, and 70). Ancestry estimates varied significantly across all three programs with the highest estimates obtained using STRUCTURE, followed by ADMIXMAP; while FRAPPE estimates were the lowest. FRAPPE estimates were similar using varying numbers of AIMs, while STRUCTURE estimates using 25 AIMs differed from estimates using 50 and 70 AIMs. Female T2DM-ESRD cases showed higher mean African proportions as compared to female controls, male cases, and male controls. Age showed a weak but significant correlation with individual ancestral estimates in AA cases (r2 = 0.101; P = 0.019) and in the combined set (r2 = 0.131; P = 3.57 x 10(-5)). The absolute difference between frequencies in parental populations, absolute delta, was correlated with admixture impact for dominant, additive, and recessive genotypic models of association. This study presents exploratory analyses of the impact of admixture on studies of AA with T2DM-ESRD and supports the use of ancestral proportions as a means of reducing confounding effects due to admixture.

Exploration of the utility of ancestry informative markers for genetic association studies of African Americans with type 2 diabetes and end stage renal disease

PubMed Central

Keene, Keith L.; Mychaleckyj, Josyf C.; Leak, Tennille S.; Smith, Shelly G.; Perlegas, Peter S.; Divers, Jasmin; Langefeld, Carl D.; Freedman, Barry I.; Bowden, Donald W.; Sale, Michèle M.

2009-01-01

Admixture and population stratification are major concerns in genetic association studies. We wished to evaluate the impact of admixture using empirically derived data from genetic association studies of African Americans (AA) with type 2 diabetes (T2DM) and end-stage renal disease (ESRD). Seventy ancestry informative markers (AIMs) were genotyped in 577 AA with T2DM-ESRD, 596 AA controls, 44 Yoruba Nigerian (YRI) and 39 European American (EA) controls. Genotypic data and association results for eight T2DM candidate gene studies in our AA population were included. Ancestral estimates were calculated using FRAPPE, ADMIXMAP and STRUCTURE for all AA samples, using varying numbers of AIMs (25, 50, and 70). Ancestry estimates varied significantly across all three programs with the highest estimates obtained using STRUCTURE, followed by ADMIXMAP; while FRAPPE estimates were the lowest. FRAPPE estimates were similar using varying numbers of AIMs, while STRUCTURE estimates using 25 AIMs differed from estimates using 50 and 70 AIMs. Female T2DM-ESRD cases showed higher mean African proportions as compared to female controls, male cases, and male controls. Age showed a weak but significant correlation with individual ancestral estimates in AA cases (r2=0.101; P=0.019) and in the combined set (r2=0.131; P=3.57×10−5). The absolute difference between frequencies in parental populations, absolute δ, was correlated with admixture impact for dominant, additive, and recessive genotypic models of association. This study presents exploratory analyses of the impact of admixture on studies of AA with T2DM-ESRD and supports the use of ancestral proportions as a means of reducing confounding effects due to admixture. PMID:18654799

Optical resolution of rotenoids

USGS Publications Warehouse

Abidi, S.L.

1987-01-01

Optical resolution of selected rotenoids containing 1-3 asymmetric centers in dihydrobenzopyranofuroben-zopyranone and dihydrobisbenzopyranopyranone series has been achieved on two chiral high-performance liquid chromatographic (hplc) stationary phases. In most cases, the absolute stereochemistry at the cis-B/C ring junction of the rotenoidal antipodes can be related to their elution order. Generally, the 6aα,12aα-enantiomers were more strongly retained by the chiral substrate than their corresponding optical antipodes. The elution-configuration relationship provides potential utility for predicting the absolute configuration of related rotenoidal compounds. Chiral phase hplc on amino-acid-bonded-silica yielded results explicable in terms of Pirkle's bonding schemes for chiral recognition. Resolution data for 12a-hydroxy-, 12a-methoxy-, and 12-hydroxyiminorotenoids further corroborate the mechanistic rationale, and demonstrate that nonpolar π-π interactions appeared to be important for enantiomeric separation on helic poly-triphenylmethylacryl-ate-silica (CPOT). In the latter system, steric effects and conformational factors in association with the modification of E-ring structures might play significant roles in the chiral separation process in view of the reversal to the elution order observed for all methoxylated rotenoids and elliptone derivatives including the parent deguelin. The unique separability (α = 1.44) of 12a-hydroxyelliptone on CPOT was suggestive of structural effects of the 5-side chain on the resolution of the rotenoids having a five-membered-E-ring. The results obtained with two different types of chiral phases are complementary and useful for optical resolution of a wide variety of natural and synthetic rotenoidal compounds.

Scale covariant gravitation. V - Kinetic theory. VI - Stellar structure and evolution

NASA Technical Reports Server (NTRS)

Hsieh, S.-H.; Canuto, V. M.

1981-01-01

A scale covariant kinetic theory for particles and photons is developed. The mathematical framework of the theory is given by the tangent bundle of a Weyl manifold. The Liouville equation is derived, and solutions to corresponding equilibrium distributions are presented and shown to yield thermodynamic results identical to the ones obtained previously. The scale covariant theory is then used to derive results of interest to stellar structure and evolution. A radiative transfer equation is derived that can be used to study stellar evolution with a variable gravitational constant. In addition, it is shown that the sun's absolute luminosity scales as L approximately equal to GM/kappa, where kappa is the stellar opacity. Finally, a formula is derived for the age of globular clusters as a function of the gravitational constant using a previously derived expression for the absolute luminosity.

APOLLO: a quality assessment service for single and multiple protein models.

PubMed

Wang, Zheng; Eickholt, Jesse; Cheng, Jianlin

2011-06-15

We built a web server named APOLLO, which can evaluate the absolute global and local qualities of a single protein model using machine learning methods or the global and local qualities of a pool of models using a pair-wise comparison approach. Based on our evaluations on 107 CASP9 (Critical Assessment of Techniques for Protein Structure Prediction) targets, the predicted quality scores generated from our machine learning and pair-wise methods have an average per-target correlation of 0.671 and 0.917, respectively, with the true model quality scores. Based on our test on 92 CASP9 targets, our predicted absolute local qualities have an average difference of 2.60 Å with the actual distances to native structure. http://sysbio.rnet.missouri.edu/apollo/. Single and pair-wise global quality assessment software is also available at the site.

Evaluation of Morphological Plasticity in the Cerebella of Basketball Players with MRI

PubMed Central

Park, In Sung; Han, Jong Woo; Lee, Kea Joo; Lee, Nam Joon; Lee, Won Teak; Park, Kyung Ah

2006-01-01

Cerebellum is a key structure involved in motor learning and coordination. In animal models, motor skill learning increased the volume of molecular layer and the number of synapses on Purkinje cells in the cerebellar cortex. The aim of this study is to investigate whether the analogous change of cerebellar volume occurs in human population who learn specialized motor skills and practice them intensively for a long time. Magnetic resonance image (MRI)-based cerebellar volumetry was performed in basketball players and matched controls with V-works image software. Total brain volume, absolute and relative cerebellar volumes were compared between two groups. There was no significant group difference in the total brain volume, the absolute and the relative cerebellar volume. Thus we could not detect structural change in the cerebellum of this athlete group in the macroscopic level. PMID:16614526

Dust-Corrected Star Formation Rates in Galaxies with Outer Rings

NASA Astrophysics Data System (ADS)

Kostiuk, I.; Silchenko, O.

2018-03-01

The star formation rates SFR, as well as the SFR surface densities ΣSFR and absolute stellar magnitudes MAB, are determined and corrected for interinsic dust absorption for 34 disk galaxies of early morphological types with an outer ring structure and ultraviolet emission from the ring. These characteristic are determined for the outer ring structures and for the galaxies as a whole. Data from the space telescopes GALEX (in the NUV and FUV ultraviolet ranges) and WISE (in the W4 22 μm infrared band) are used. The average relative deviation in the corrected SFR and ΣSFR derived from the NUV and FUV bands is only 19.0%, so their averaged values are used for statistical consideration. The relations between the dust-corrected SFR characteristics, UV colours, the galaxy morphological type, absolute magnitude are illustrated.

Spacecraft methods and structures with enhanced attitude control that facilitates gyroscope substitutions

NASA Technical Reports Server (NTRS)

Li, Rongsheng (Inventor); Kurland, Jeffrey A. (Inventor); Dawson, Alec M. (Inventor); Wu, Yeong-Wei A. (Inventor); Uetrecht, David S. (Inventor)

2004-01-01

Methods and structures are provided that enhance attitude control during gyroscope substitutions by insuring that a spacecraft's attitude control system does not drive its absolute-attitude sensors out of their capture ranges. In a method embodiment, an operational process-noise covariance Q of a Kalman filter is temporarily replaced with a substantially greater interim process-noise covariance Q. This replacement increases the weight given to the most recent attitude measurements and hastens the reduction of attitude errors and gyroscope bias errors. The error effect of the substituted gyroscopes is reduced and the absolute-attitude sensors are not driven out of their capture range. In another method embodiment, this replacement is preceded by the temporary replacement of an operational measurement-noise variance R with a substantially larger interim measurement-noise variance R to reduce transients during the gyroscope substitutions.

A variable temperature EPR study of Mn(2+)-doped NH(4)Cl(0.9)I(0.1) single crystal at 170 GHz: zero-field splitting parameter and its absolute sign.

PubMed

Misra, Sushil K; Andronenko, Serguei I; Chand, Prem; Earle, Keith A; Paschenko, Sergei V; Freed, Jack H

2005-06-01

EPR measurements have been carried out on a single crystal of Mn(2+)-doped NH(4)Cl(0.9)I(0.1) at 170-GHz in the temperature range of 312-4.2K. The spectra have been analyzed (i) to estimate the spin-Hamiltonian parameters; (ii) to study the temperature variation of the zero-field splitting (ZFS) parameter; (iii) to confirm the negative absolute sign of the ZFS parameter unequivocally from the temperature-dependent relative intensities of hyperfine sextets at temperatures below 10K; and (iv) to detect the occurrence of a structural phase transition at 4.35K from the change in the structure of the EPR lines with temperature below 10K.

Instrumentation and First Results of the Reflected Solar Demonstration System for the Climate Absolute Radiance and Refractivity Observatory

NASA Technical Reports Server (NTRS)

McCorkel, Joel; Thome, Kurtis; Hair, Jason; McAndrew, Brendan; Jennings, Don; Rabin, Douglas; Daw, Adrian; Lundsford, Allen

2012-01-01

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission key goals include enabling observation of high accuracy long-term climate change trends, use of these observations to test and improve climate forecasts, and calibration of operational and research sensors. The spaceborne instrument suites include a reflected solar spectroradiometer, emitted infrared spectroradiometer, and radio occultation receivers. The requirement for the RS instrument is that derived reflectance must be traceable to Sl standards with an absolute uncertainty of <0.3% and the error budget that achieves this requirement is described in previo1L5 work. This work describes the Solar/Lunar Absolute Reflectance Imaging Spectroradiometer (SOLARIS), a calibration demonstration system for RS instrument, and presents initial calibration and characterization methods and results. SOLARIS is an Offner spectrometer with two separate focal planes each with its own entrance aperture and grating covering spectral ranges of 320-640, 600-2300 nm over a full field-of-view of 10 degrees with 0.27 milliradian sampling. Results from laboratory measurements including use of integrating spheres, transfer radiometers and spectral standards combined with field-based solar and lunar acquisitions are presented. These results will be used to assess the accuracy and repeatability of the radiometric and spectral characteristics of SOLARIS, which will be presented against the sensor-level requirements addressed in the CLARREO RS instrument error budget.

Crystal structures of two novel dye-decolorizing peroxidases reveal a beta-barrel fold with a conserved heme-binding motif.

PubMed

Zubieta, Chloe; Krishna, S Sri; Kapoor, Mili; Kozbial, Piotr; McMullan, Daniel; Axelrod, Herbert L; Miller, Mitchell D; Abdubek, Polat; Ambing, Eileen; Astakhova, Tamara; Carlton, Dennis; Chiu, Hsiu-Ju; Clayton, Thomas; Deller, Marc C; Duan, Lian; Elsliger, Marc-André; Feuerhelm, Julie; Grzechnik, Slawomir K; Hale, Joanna; Hampton, Eric; Han, Gye Won; Jaroszewski, Lukasz; Jin, Kevin K; Klock, Heath E; Knuth, Mark W; Kumar, Abhinav; Marciano, David; Morse, Andrew T; Nigoghossian, Edward; Okach, Linda; Oommachen, Silvya; Reyes, Ron; Rife, Christopher L; Schimmel, Paul; van den Bedem, Henry; Weekes, Dana; White, Aprilfawn; Xu, Qingping; Hodgson, Keith O; Wooley, John; Deacon, Ashley M; Godzik, Adam; Lesley, Scott A; Wilson, Ian A

2007-11-01

BtDyP from Bacteroides thetaiotaomicron (strain VPI-5482) and TyrA from Shewanella oneidensis are dye-decolorizing peroxidases (DyPs), members of a new family of heme-dependent peroxidases recently identified in fungi and bacteria. Here, we report the crystal structures of BtDyP and TyrA at 1.6 and 2.7 A, respectively. BtDyP assembles into a hexamer, while TyrA assembles into a dimer; the dimerization interface is conserved between the two proteins. Each monomer exhibits a two-domain, alpha+beta ferredoxin-like fold. A site for heme binding was identified computationally, and modeling of a heme into the proposed active site allowed for identification of residues likely to be functionally important. Structural and sequence comparisons with other DyPs demonstrate a conservation of putative heme-binding residues, including an absolutely conserved histidine. Isothermal titration calorimetry experiments confirm heme binding, but with a stoichiometry of 0.3:1 (heme:protein). (c) 2007 Wiley-Liss, Inc.

Predicting Real-Valued Protein Residue Fluctuation Using FlexPred.

PubMed

Peterson, Lenna; Jamroz, Michal; Kolinski, Andrzej; Kihara, Daisuke

2017-01-01

The conventional view of a protein structure as static provides only a limited picture. There is increasing evidence that protein dynamics are often vital to protein function including interaction with partners such as other proteins, nucleic acids, and small molecules. Considering flexibility is also important in applications such as computational protein docking and protein design. While residue flexibility is partially indicated by experimental measures such as the B-factor from X-ray crystallography and ensemble fluctuation from nuclear magnetic resonance (NMR) spectroscopy as well as computational molecular dynamics (MD) simulation, these techniques are resource-intensive. In this chapter, we describe the web server and stand-alone version of FlexPred, which rapidly predicts absolute per-residue fluctuation from a three-dimensional protein structure. On a set of 592 nonredundant structures, comparing the fluctuations predicted by FlexPred to the observed fluctuations in MD simulations showed an average correlation coefficient of 0.669 and an average root mean square error of 1.07 Å. FlexPred is available at http://kiharalab.org/flexPred/ .

Prospective Teachers' Reactions to "Right-or-Wrong" Tasks: The Case of Derivatives of Absolute Value Functions

ERIC Educational Resources Information Center

Tsamir, Pessia; Rasslan, Shaker; Dreyfus, Tommy

2006-01-01

This paper illustrates the role of a "Thinking-about-Derivatives" task in identifying learners' derivative conceptions and for promoting their critical thinking about derivatives of absolute value functions. The task included three parts: "Define" the derivative of a function f(x) at x = x[subscript 0], "Solve-if-Possible" the derivative of f(x) =…

Coronal Magnetography of Solar Active Regions Using Coordinated SOHO/CDS and VLA Observations

NASA Technical Reports Server (NTRS)

Brosius, Jeffrey W.

1999-01-01

The purpose of this project is to apply the coronal magnetographic technique to SOHO (Solar Heliospheric Observatory) /CDS (Coronal Diagnostic Spectrometer) EUV (Extreme Ultraviolet Radiation) and coordinated VLA microwave observations of solar active regions to derive the strength and structure of the coronal magnetic field. A CDS observing plan was developed for obtaining spectra needed to derive active region differential emission measures (DEMs) required for coronal magnetography. VLA observations were proposed and obtained. SOHO JOP 100 was developed, tested, approved, and implemented to obtain coordinated CDS (Coronal Diagnostic Spectrometer)/EIT (Ultraviolet Imaging Telescope)/ VLA (Very Large Array)/ TRACE (Transition Region and Coronal Explorer)/ SXT (Solar X Ray Telescope) observations of active regions on April 12, May 9, May 13, and May 23. Analysis of all four data sets began, with heaviest concentration on COS data. It is found that 200-pixel (14 A in NIS1) wavelength windows are appropriate for extracting broadened Gaussian line profile fit parameters for lines including Fe XIV at 334.2, Fe XVI at 335.4, Fe XVI at 360.8, and Mg IX at 368.1 over the 4 arcmin by 4 arcmin CDS field of view. Extensive efforts were focused on learning and applying were focused on learning and applying CDS software, and including it in new IDL procedures to carry out calculations relating to coronal magnetography. An important step is to extract Gaussian profile fits to all the lines needed to derive the DEM in each spatial pixel of any given active region. The standard CDS absolute intensity calibration software was applied to derived intensity images, revealing that ratios between density-insensitive lines like Fe XVI 360.8/335.4 yield good agreement with theory. However, the resulting absolute intensities of those lines are very high, indicating that revisions to the CDS absolute intensity calibrations remain to be included in the CDS software, an essential step to deriving reliable coronal magnetograms. With lessons learned and high quality data obtained during the past year, coronal magnetography will be successfully pursued under my new SOHO GI program.

Absolute calibration of optical flats

DOEpatents

Sommargren, Gary E.

2005-04-05

The invention uses the phase shifting diffraction interferometer (PSDI) to provide a true point-by-point measurement of absolute flatness over the surface of optical flats. Beams exiting the fiber optics in a PSDI have perfect spherical wavefronts. The measurement beam is reflected from the optical flat and passed through an auxiliary optic to then be combined with the reference beam on a CCD. The combined beams include phase errors due to both the optic under test and the auxiliary optic. Standard phase extraction algorithms are used to calculate this combined phase error. The optical flat is then removed from the system and the measurement fiber is moved to recombine the two beams. The newly combined beams include only the phase errors due to the auxiliary optic. When the second phase measurement is subtracted from the first phase measurement, the absolute phase error of the optical flat is obtained.

a Chiral Tag Study of the Absolute Configuration of Camphor

NASA Astrophysics Data System (ADS)

Pratt, David; Evangelisti, Luca; Smart, Taylor; Holdren, Martin S.; Mayer, Kevin J.; West, Channing; Pate, Brooks

2017-06-01

The chiral tagging method for rotational spectroscopy uses an established approach in chiral analysis of creating a complex with an enantiopure tag so that enantiomers of the molecule of interest are converted to diastereomer complexes. Since the diastereomers have distinct structure, they give distinguishable rotational spectra. Camphor was chosen as an example for the chiral tag method because it has spectral properties that could pose challenges to the use of three wave mixing rotational spectroscopy to establish absolute configuration. Specifically, one of the dipole moment components of camphor is small making three wave mixing measurements challenging and placing high accuracy requirements on computational chemistry for calculating the dipole moment direction in the principal axis system. The chiral tag measurements of camphor used the hydrogen bond donor 3-butyn-2-ol. Quantum chemistry calculations using the B3LYP-D3BJ method and the def2TZVP basis set identified 7 low energy isomers of the chiral complex. The two lowest energy complexes of the homochiral and heterochiral complexes are observed in a measurement using racemic tag. Absolute configuration is confirmed by the use of an enantiopure tag sample. Spectra with ^{13}C-sensitivity were acquired so that the carbon substitution structure of the complex could be obtained to provide a structure of camphor with correct stereochemistry. The chiral tag complex spectra can also be used to estimate the enantiomeric excess of the sample and analysis of the broadband spectrum indicates that the sample enantiopurity is higher than 99.5%. The structure of the complex is analyzed to determine the extent of geometry modification that occurs upon formation of the complex. These results show that initial isomer searches with fixed geometries will be accurate. The reduction in computation time from fixed geometry assumptions will be discussed.

New erythritol derivatives from the fertile form of Roccella montagnei.

PubMed

Duong, Thuc Huy; Huynh, Bui Linh Chi; Chavasiri, Warinthorn; Chollet-Krugler, Marylene; Nguyen, Van Kieu; Nguyen, Thi Hoai Thu; Hansen, Poul Erik; Le Pogam, Pierre; Thüs, Holger; Boustie, Joël; Nguyen, Kim Phi Phung

2017-05-01

Chemical investigation of the methanol extract of the fertile form of Roccella montagnei collected in Vietnam afforded twelve secondary metabolites, including five new montagnetol derivatives, orsellinylmontagnetols A-D and a furanyl derivative together with seven known compounds. Their chemical structures were elucidated by analysis of 1D and 2D NMR and high resolution mass spectroscopic data. The relative stereochemistry of two chiral centers (C-2 and C-3) of orsellinylmontagnetols A and B was elucidated by comparison of their coupling constants and the specific rotation with those reported in the literature while the absolute stereochemistry was determined by the application of a modified Mosher method for the hydroxy group at C-3. The absolute configuration (2R,3S) of the butanetetraol moiety of these compounds is in accordance with that of erythrin, a recognized chemotaxonomic marker of the genus Roccella. Five of these compounds were evaluated for their cytotoxic activities against four cancer cell lines. Only orsellinylmontagnetol A exerted a moderate activity against MCF-7 cell line with an IC 50 value of 68.39 ± 3.46 μM. Copyright © 2017 Elsevier Ltd. All rights reserved.

The Cosmic Infrared Background Experiment (CIBER): A Sounding Rocket Payload to Study the near Infrared Extragalactic Background Light

NASA Astrophysics Data System (ADS)

Zemcov, M.; Arai, T.; Battle, J.; Bock, J.; Cooray, A.; Hristov, V.; Keating, B.; Kim, M. G.; Lee, D. H.; Levenson, L. R.; Mason, P.; Matsumoto, T.; Matsuura, S.; Nam, U. W.; Renbarger, T.; Sullivan, I.; Suzuki, K.; Tsumura, K.; Wada, T.

2013-08-01

The Cosmic Infrared Background Experiment (CIBER) is a suite of four instruments designed to study the near infrared (IR) background light from above the Earth's atmosphere. The instrument package comprises two imaging telescopes designed to characterize spatial anisotropy in the extragalactic IR background caused by cosmological structure during the epoch of reionization, a low resolution spectrometer to measure the absolute spectrum of the extragalactic IR background, and a narrow band spectrometer optimized to measure the absolute brightness of the zodiacal light foreground. In this paper we describe the design and characterization of the CIBER payload. The detailed mechanical, cryogenic, and electrical design of the system are presented, including all system components common to the four instruments. We present the methods and equipment used to characterize the instruments before and after flight, and give a detailed description of CIBER's flight profile and configurations. CIBER is designed to be recoverable and has flown four times, with modifications to the payload having been informed by analysis of the first flight data. All four instruments performed to specifications during the subsequent flights, and the scientific data from these flights are currently being analyzed.

Comparing cerebral perfusion in Alzheimer's disease and Parkinson's disease dementia: an ASL-MRI study.

PubMed

Le Heron, Campbell J; Wright, Sarah L; Melzer, Tracy R; Myall, Daniel J; MacAskill, Michael R; Livingston, Leslie; Keenan, Ross J; Watts, Richard; Dalrymple-Alford, John C; Anderson, Tim J

2014-06-01

Emerging evidence suggests that Alzheimer's disease (AD) and Parkinson's disease dementia (PDD) share neurodegenerative mechanisms. We sought to directly compare cerebral perfusion in these two conditions using arterial spin labeling magnetic resonance imaging (ASL-MRI). In total, 17 AD, 20 PDD, and 37 matched healthy controls completed ASL and structural MRI, and comprehensive neuropsychological testing. Alzheimer's disease and PDD perfusion was analyzed by whole-brain voxel-based analysis (to assess absolute blood flow), a priori specified region of interest analysis, and principal component analysis (to generate a network differentiating the two groups). Corrections were made for cerebral atrophy, age, sex, education, and MRI scanner software version. Analysis of absolute blood flow showed no significant differences between AD and PDD. Comparing each group with controls revealed an overlapping, posterior pattern of hypoperfusion, including posterior cingulate gyrus, precuneus, and occipital regions. The perfusion network that differentiated AD and PDD groups identified relative differences in medial temporal lobes (AD

THE COSMIC INFRARED BACKGROUND EXPERIMENT (CIBER): A SOUNDING ROCKET PAYLOAD TO STUDY THE NEAR INFRARED EXTRAGALACTIC BACKGROUND LIGHT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zemcov, M.; Bock, J.; Hristov, V.

2013-08-15

The Cosmic Infrared Background Experiment (CIBER) is a suite of four instruments designed to study the near infrared (IR) background light from above the Earth's atmosphere. The instrument package comprises two imaging telescopes designed to characterize spatial anisotropy in the extragalactic IR background caused by cosmological structure during the epoch of reionization, a low resolution spectrometer to measure the absolute spectrum of the extragalactic IR background, and a narrow band spectrometer optimized to measure the absolute brightness of the zodiacal light foreground. In this paper we describe the design and characterization of the CIBER payload. The detailed mechanical, cryogenic, andmore » electrical design of the system are presented, including all system components common to the four instruments. We present the methods and equipment used to characterize the instruments before and after flight, and give a detailed description of CIBER's flight profile and configurations. CIBER is designed to be recoverable and has flown four times, with modifications to the payload having been informed by analysis of the first flight data. All four instruments performed to specifications during the subsequent flights, and the scientific data from these flights are currently being analyzed.« less

Ridge interaction features of the Line Islands

NASA Astrophysics Data System (ADS)

Konter, J. G.; Koppers, A. A. P.; Storm, L. P.

2016-12-01

The sections of Pacific absolute plate motion history that precede the Hawaii-Emperor and Louisville chains are based on three chains: the Line Islands-Mid-Pacific Mountains, the Hess Rise-Shatsky Rise, and the Marshall Islands-Wake Islands (Rurutu hotspot). Although it has been clear that the Line Islands do not define a simple age progression (e.g. Schlanger et al., 1984), the apparent similarity to the Emperor Seamount geographic trend has been used to extend the overall Hawaii-Emperor track further into the past. However, we show here that plate tectonic reconstructions suggest that the Mid-Pacific Mountains (MPMs) and Line Islands (LIs) were erupted near a mid-ocean ridge, and thus these structures do not reflect absolute plate motion. Moverover, the morphology and geochemistry of the volcanoes show similarities with Pukapuka Ridge (e.g. Davis et al., 2002) and the Rano Rahi seamounts, presumed to have a shallow origin. Modern 40Ar/39Ar ages show that the LIs erupted at various times along the entire volcanic chain. The oldest structures formed within 10 Ma of plate formation. Given the short distance to the ridge system, large aseismic volcanic ridges, such as Necker Ridge and Horizon Guyot may simply reflect a connection between MPMs and the ridge, similar to the Pukapuka Ridge. The Line Islands to the south (including Karin Ridge) define short subchains of elongated seamounts that are widespread, resembling the Rano Rahi seamount field. During this time, the plate moved nearly parallel to the ridge system. The change from few large ridges to many subchains may reflect a change in absolute plate motion, similar to the Rano Rahi field. Here, significant MPMs volcanism is no longer connected to the ridge along plate motion. Similar to Pukapuka vs. Rano Rahi, the difference in direction between plate motion and the closest ridge determines whether larger ridges or smaller seamount subchains are formed. The difference between the largest structures (MPMs and LIs ridge south of Clarion fracture zone) may result from their formation near microplate triple junctions, above the edges of the LLSVPs, during increased spreading rates of the Cretaceous. Unusually strong passive upwelling may have sampled dense fertile material (Korenaga, 2005) from the LLSVP generating a LIP without a hotspot chain.

Determination of collagen fibril size via absolute measurements of second-harmonic generation signals

NASA Astrophysics Data System (ADS)

Bancelin, Stéphane; Aimé, Carole; Gusachenko, Ivan; Kowalczuk, Laura; Latour, Gaël; Coradin, Thibaud; Schanne-Klein, Marie-Claire

2014-09-01

The quantification of collagen fibril size is a major issue for the investigation of pathological disorders associated with structural defects of the extracellular matrix. Second-harmonic generation microscopy is a powerful technique to characterize the macromolecular organization of collagen in unstained biological tissues. Nevertheless, due to the complex coherent building of this nonlinear optical signal, it has never been used to measure fibril diameter so far. Here we report absolute measurements of second-harmonic signals from isolated fibrils down to 30 nm diameter, via implementation of correlative second-harmonic-electron microscopy. Moreover, using analytical and numerical calculations, we demonstrate that the high sensitivity of this technique originates from the parallel alignment of collagen triple helices within fibrils and the subsequent constructive interferences of second-harmonic radiations. Finally, we use these absolute measurements as a calibration for ex vivo quantification of fibril diameter in the Descemet’s membrane of a diabetic rat cornea.

Interactions between pyrazole derived enantiomers and Chiralcel OJ: Prediction of enantiomer absolute configurations and elution order by molecular dynamics simulations.

PubMed

Hu, Guixiang; Huang, Meilan; Luo, Chengcai; Wang, Qi; Zou, Jian-Wei

2016-05-01

The separation of enantiomers and confirmation of their absolute configurations is significant in the development of chiral drugs. The interactions between the enantiomers of chiral pyrazole derivative and polysaccharide-based chiral stationary phase cellulose tris(4-methylbenzoate) (Chiralcel OJ) in seven solvents and under different temperature were studied using molecular dynamics simulations. The results show that solvent effect has remarkable influence on the interactions. Structure analysis discloses that the different interactions between two isomers and chiral stationary phase are dependent on the nature of solvents, which may invert the elution order. The computational method in the present study can be used to predict the elution order and the absolute configurations of enantiomers in HPLC separations and therefore would be valuable in development of chiral drugs. Copyright © 2016 Elsevier Inc. All rights reserved.

Nonlinear self-sustained structures and fronts in spatially developing wake flows

NASA Astrophysics Data System (ADS)

Pier, Benoît; Huerre, Patrick

2001-05-01

A family of slowly spatially developing wakes with variable pressure gradient is numerically demonstrated to sustain a synchronized finite-amplitude vortex street tuned at a well-defined frequency. This oscillating state is shown to be described by a steep global mode exhibiting a sharp Dee Langer-type front at the streamwise station of marginal absolute instability. The front acts as a wavemaker which sends out nonlinear travelling waves in the downstream direction, the global frequency being imposed by the real absolute frequency prevailing at the front station. The nonlinear travelling waves are determined to be governed by the local nonlinear dispersion relation resulting from a temporal evolution problem on a local wake profile considered as parallel. Although the vortex street is fully nonlinear, its frequency is dictated by a purely linear marginal absolute instability criterion applied to the local linear dispersion relation.

Refinements to the structure of graphite oxide: absolute quantification of functional groups via selective labelling

NASA Astrophysics Data System (ADS)

Eng, Alex Yong Sheng; Chua, Chun Kiang; Pumera, Martin

2015-11-01

Chemical modification and functionalization of inherent functional groups within graphite oxide (GO) are essential aspects of graphene-based nano-materials used in wide-ranging applications. Despite extensive research, there remains some discrepancy in its structure, with current knowledge limited primarily to spectroscopic data from XPS, NMR and vibrational spectroscopies. We report herein an innovative electrochemistry-based approach. Four electroactive labels are chosen to selectively functionalize groups in GO, and quantification of each group is achieved by voltammetric analysis. This allows for the first time quantification of absolute amounts of each group, with a further advantage of distinguishing various carbonyl species: namely ortho- and para-quinones from aliphatic ketones. Intrinsic variations in the compositions of permanganate versus chlorate-oxidized GOs were thus observed. Principal differences include permanganate-GO exhibiting substantial quinonyl content, in comparison to chlorate-GO with the vast majority of its carbonyls as isolated ketones. The results confirm that carboxylic groups are rare in actuality, and are in fact entirely absent from chlorate-GO. These observations refine and advance our understanding of GO structure by addressing certain disparities in past models resulting from employment of different oxidation routes, with the vital implication that GO production methods cannot be used interchangeably in the manufacture of graphene-based devices.Chemical modification and functionalization of inherent functional groups within graphite oxide (GO) are essential aspects of graphene-based nano-materials used in wide-ranging applications. Despite extensive research, there remains some discrepancy in its structure, with current knowledge limited primarily to spectroscopic data from XPS, NMR and vibrational spectroscopies. We report herein an innovative electrochemistry-based approach. Four electroactive labels are chosen to selectively functionalize groups in GO, and quantification of each group is achieved by voltammetric analysis. This allows for the first time quantification of absolute amounts of each group, with a further advantage of distinguishing various carbonyl species: namely ortho- and para-quinones from aliphatic ketones. Intrinsic variations in the compositions of permanganate versus chlorate-oxidized GOs were thus observed. Principal differences include permanganate-GO exhibiting substantial quinonyl content, in comparison to chlorate-GO with the vast majority of its carbonyls as isolated ketones. The results confirm that carboxylic groups are rare in actuality, and are in fact entirely absent from chlorate-GO. These observations refine and advance our understanding of GO structure by addressing certain disparities in past models resulting from employment of different oxidation routes, with the vital implication that GO production methods cannot be used interchangeably in the manufacture of graphene-based devices. Electronic supplementary information (ESI) available: Voltammograms of labelled GO at acidic vs. neutral pH; control experiment investigating effects of non-specific adsorption; X-ray photoelectron spectra and Fourier transform infrared spectra of GOs after functionalization and their corresponding controls; Coulombic charges passed from electrochemical redox of labels; detailed calculation of epoxyl content in GO; inherent electrochemistry of GOs; physical images of functionalized and control GOs. See DOI: 10.1039/c5nr05891k

Modelling of structural flexiblity in multibody railroad vehicle systems

NASA Astrophysics Data System (ADS)

Escalona, José L.; Sugiyama, Hiroyuki; Shabana, Ahmed A.

2013-07-01

This paper presents a review of recent research investigations on the computer modelling of flexible bodies in railroad vehicle systems. The paper will also discuss the influence of the structural flexibility of various components, including the wheelset, the truck frames, tracks, pantograph/catenary systems, and car bodies, on the dynamics of railroad vehicles. While several formulations and computer techniques for modelling structural flexibility are discussed in this paper, a special attention is paid to the floating frame of reference formulation which is widely used and leads to reduced-order finite-element models for flexible bodies by employing component modes synthesis techniques. Other formulations and numerical methods such as semi-analytical approaches, absolute nodal coordinate formulation, finite-segment method, boundary elements method, and discrete elements method are also discussed. This investigation is motivated by the fact that the structural flexibility can have a significant effect on the overall dynamics of railroad vehicles, ride comfort, vibration suppression and noise level reduction, lateral stability, track response to vehicle forces, stress analysis, wheel-rail contact forces, wear and crashworthiness.

Absolute Definition of Phase Shift in the Elastic Scattering of a Particle from Compound Systems

NASA Technical Reports Server (NTRS)

Temkin, A.

1961-01-01

The projection of the target wave function on the total wave function of a scattered particle interacting with the target system is used to define an absolute phase shift including any multiples of pi. With this definition of the absolute phase shift, one can prove rigorously in the limit of zero energy for s-wave electrons scattered from atomic hydrogen that the triplet phase shift must approach a nonzero multiple of pi. One can further show that at least one pi of this phase shift is not connected with the existence of a bound state of the H- ion.

Early diagnosis of severe combined immunodeficiency (SCID) in Turkey: a pilot study.

PubMed

Can, Ceren; Hamilçıkan, Şahin; Can, Emrah

2017-08-29

Severe combined immunodeficiency (SCID) is a neonatal emergency. As the T-cell receptor excision circles (TREC) test is not cost effective for neonatal screening of SCID in developing countries, this pilot study's objective aimed at identifying preliminary data to enable SCID identification in the general population. This observational study was performed in Bagcılar Training and Research Hospital, Istanbul, Turkey. Cord-blood complete blood count (CBC) was recorded in all neonates included in the study. Absolute lymphopenia was considered in cord-blood samples if the absolute lymphocyte count was less than 2500/mm 3 . A control blood count was performed 1-month later for cases with detected lymphopenia. A total of 2945 term neonates were included in the study. Absolute lymphopenia was found in nine (0.3%) neonates, while 2936 (99.7%) had an absolute lymphocytic count above 2.5 × 10 3 /mm 3 . The mean counts of red blood cells (RBC), hemoglobin (HGB), hematocrit (HCT), platelets (PLT), and monocytes in the lymphopenia group were not found to significantly differ from the non-lymphopenia group. However, there were significantly lower mean white blood cell (WBC), lymphocyte, and neutrophil counts between the groups (p < .05). Absolute lymphopenia detected using CBC analysis is a simple, easier, more non-invasive, and cheaper method than the TREC method for detection of SCID neonates, and this method may prove to be a useful alternative, especially in developing countries.

Calculation and Comparative Analysis of the IR Spectra of Homobrassinolide and (22S,23S)-Homobrassinolide

NASA Astrophysics Data System (ADS)

Andrianov, V. M.; Korolevich, M. V.

2015-09-01

Normal vibrational frequencies and absolute IR band intensities of the biologically active steroid phytohormones homobrassinolide and (22S,23S)-homobrassinolide were calculated in the framework of an original approach that combined classical analysis of normal modes using molecular mechanics with quantum-chemical estimation of the absolute intensities. IR absorption bands were interpreted based on a comparison of the experimental and theoretical absorption spectra. The impact of structural differences in the side chains of these molecules on the formation of their IR spectra in the region 1500-950 cm -1 was estimated.

Flux trapping in multi-loop SQUIDs and its impact on SQUID-based absolute magnetometry

NASA Astrophysics Data System (ADS)

Schönau, T.; Zakosarenko, V.; Schmelz, M.; Anders, S.; Meyer, H.-G.; Stolz, R.

2018-07-01

The effect of flux trapping on the flux-voltage characteristics of multi-loop SQUID magnetometers was investigated by means of repeated cool-down cycles in a stepwise increased magnetic background field. For a SQUID with N parallel loops, N different flux offsets, each separated by {{{Φ }}}0/N, were observed even in zero magnetic field. These flux offsets further split into a so called fine structure, which can be explained by minor asymmetries in the SQUID design. The observed results are discussed with particular regard to their impact on the previously presented absolute SQUID cascade vector magnetometer.

Fractional order absolute vibration suppression (AVS) controllers

NASA Astrophysics Data System (ADS)

Halevi, Yoram

2017-04-01

Absolute vibration suppression (AVS) is a control method for flexible structures. The first step is an accurate, infinite dimension, transfer function (TF), from actuation to measurement. This leads to the collocated, rate feedback AVS controller that in some cases completely eliminates the vibration. In case of the 1D wave equation, the TF consists of pure time delays and low order rational terms, and the AVS controller is rational. In all other cases, the TF and consequently the controller are fractional order in both the delays and the "rational parts". The paper considers stability, performance and actual implementation in such cases.

Absolute surface energy calculations of Wurtzite (0001)/(000-1): a study of ZnO and GaN

NASA Astrophysics Data System (ADS)

Zhang, Jingzhao; Zhang, Yiou; Tse, Kinfai; Deng, Bei; Xu, Hu; Zhu, Junyi

The accurate absolute surface energies of (0001)/(000-1) surfaces of wurtzite structures are crucial in determining the thin film growth mode of important energy materials. However, the surface energies still remain to be solved due to the intrinsic difficulty of calculating dangling bond energy of asymmetrically bonded surface atoms. We used a pseudo-hydrogen passivation method to estimate the dangling bond energy and calculate the polar surfaces of ZnO and GaN. The calculations were based on the pseudo chemical potentials obtained from a set of tetrahedral clusters or simple pseudo-molecules, using density functional theory approaches, for both GGA and HSE. And the surface energies of (0001)/(000-1) surfaces of wurtzite ZnO and GaN we obtained showed relatively high self-consistencies. A wedge structure calculation with a new bottom surface passivation scheme of group I and group VII elements was also proposed and performed to show converged absolute surface energy of wurtzite ZnO polar surfaces. Part of the computing resources was provided by the High Performance Cluster Computing Centre, Hong Kong Baptist University. This work was supported by the start-up funding and direct Grant with the Project code of 4053134 at CUHK.

Fatigue tests on big structure assemblies of concorde aircraft

NASA Technical Reports Server (NTRS)

Nguyen, V. P.; Perrais, J. P.

1972-01-01

Fatigue tests on structural assemblies of the Concorde supersonic transport aircraft are reported. Two main sections of the aircraft were subjected to pressure, mechanical load, and thermal static tests. The types of fatigue tests conducted and the results obtained are discussed. It was concluded that on a supersonic aircraft whose structural weight is a significant part of the weight analysis, many fatigue and static strength development tests should be made and fatigue and thermal tests of the structures are absolutely necessary.

Communication: Hypothetical ultralow-density ice polymorphs

NASA Astrophysics Data System (ADS)

Matsui, Takahiro; Hirata, Masanori; Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

2017-09-01

More than 300 kinds of porous ice structures derived from zeolite frameworks and space fullerenes are examined using classical molecular dynamics simulations. It is found that a hypothetical zeolitic ice phase is less dense and more stable than the sparse ice structures reported by Huang et al. [Chem. Phys. Lett. 671, 186 (2017)]. In association with the zeolitic ice structure, even less dense structures, "aeroices," are proposed. It is found that aeroices are the most stable solid phases of water near the absolute zero temperature under negative pressure.

Astigmatism error modification for absolute shape reconstruction using Fourier transform method

NASA Astrophysics Data System (ADS)

He, Yuhang; Li, Qiang; Gao, Bo; Liu, Ang; Xu, Kaiyuan; Wei, Xiaohong; Chai, Liqun

2014-12-01

A method is proposed to modify astigmatism errors in absolute shape reconstruction of optical plane using Fourier transform method. If a transmission and reflection flat are used in an absolute test, two translation measurements lead to obtain the absolute shapes by making use of the characteristic relationship between the differential and original shapes in spatial frequency domain. However, because the translation device cannot guarantee the test and reference flats rigidly parallel to each other after the translations, a tilt error exists in the obtained differential data, which caused power and astigmatism errors in the reconstructed shapes. In order to modify the astigmatism errors, a rotation measurement is added. Based on the rotation invariability of the form of Zernike polynomial in circular domain, the astigmatism terms are calculated by solving polynomial coefficient equations related to the rotation differential data, and subsequently the astigmatism terms including error are modified. Computer simulation proves the validity of the proposed method.

Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae).

PubMed

Zheoat, Ahmed M; Gray, Alexander I; Igoli, John O; Kennedy, Alan R; Ferro, Valerie A

2017-09-01

The biologically active title compounds have been isolated from Hibiscus sabdariffa plants, hibiscus acid as a dimethyl sulfoxide monosolvate [systematic name: (2 S ,3 R )-3-hy-droxy-5-oxo-2,3,4,5-tetra-hydro-furan-2,3-di-carb-oxy-lic acid dimethyl sulfoxide monosolvate], C 6 H 6 O 7 ·C 2 H 6 OS, (I), and hibiscus acid dimethyl ester [systematic name: dimethyl (2 S ,3 R )-3-hy-droxy-5-oxo-2,3,4,5-tetra-hydro-furan-2,3-di-carboxyl-ate], C 8 H 10 O 7 , (II). Compound (I) forms a layered structure with alternating layers of lactone and solvent mol-ecules, that include a two-dimensional hydrogen-bonding construct. Compound (II) has two crystallographically independent and conformationally similar mol-ecules per asymmetric unit and forms a one-dimensional hydrogen-bonding construct. The known absolute configuration for both compounds has been confirmed.

Estrogenic activity of constituents from the rhizomes of Rheum undulatum Linné.

PubMed

Park, SeonJu; Kim, Yun Na; Kwak, Hee Jae; Jeong, Eun Ju; Kim, Seung Hyun

2018-02-15

Stilbenes have been reported to be phytoestrogen compounds owing to its structural similarity to the estrogenic agent diethylstilbestrol. To find new stilbene-derivative phytoestrogens, isolation of stilbene-rich R. undulatum was performed and led to identify six new compounds (1-5 and 28), one newly determined absolute configurations compound (27) together with 21 previously reported compounds (6-26). The structures of compounds were determined on the basis of extensive spectroscopic methods including 1D and 2D NMR and CD spectra data. All the isolated compounds were tested for their estrogenic activities in HepG2 cells transiently transfected with ERα, ERβ and ERE-reporter plasmid. Among them, stilbene-derivatives, piceatannol 3'-O-β-d-xylopyranoside (12), cis-rhaponticin (16) and rhapontigenin 3'-O-β-d-glucopyranoside (17), showed the more potent binding affinity for estrogen receptors than 17β-estrodiol. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structural and Optoelectronic Properties of SnO2 Thin Films Doped by Group-Ia Elements

NASA Astrophysics Data System (ADS)

Benhebal, Hadj; Benrabah, Bedhiaf; Ammari, Aek; Madoune, Yacine; Lambert, Stéphanie D.

This paper presents the results of an experimental work devoted to the synthesis and the characterization of tin dioxide (SnO2) thin layers doped with group-IA elements (Li, Na and K). The materials were synthesized by the sol-gel method and deposited by dip-coating, using tin (II) chloride dihydrate as a source of tin and absolute ethyl alcohol as solvent. Thin films prepared were characterized by several techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), infrared spectroscopy (IR), visible and ultraviolet spectroscopy and complex impedance method. The results obtained show that the materials kept their tetragonal rutile structure with preferred orientation of (101), whereas doping leads to a reduction of their energy band gap. The complex impedance analysis suggests that the different processes occurring at the electrode interface are modeled by an electrical circuit not affected by the doping.

Effect of Absolute From Hibiscus syriacus L. Flower on Wound Healing in Keratinocytes

PubMed Central

Yoon, Seok Won; Lee, Kang Pa; Kim, Do-Yoon; Hwang, Dae Il; Won, Kyung-Jong; Lee, Dae Won; Lee, Hwan Myung

2017-01-01

Background: Proliferation and migration of keratinocytes are essential for the repair of cutaneous wounds. Hibiscus syriacus L. has been used in Asian medicine; however, research on keratinocytes is inadequate. Objective: To establish the dermatological properties of absolute from Hibiscus syriacus L. flower (HSF) and to provide fundamental research for alternative medicine. Materials and Methods: We identified the composition of HSF absolute using gas chromatography-mass spectrometry analysis. We also examined the effect of HSF absolute in HaCaT cells using the XTT assay, Boyden chamber assay, sprout-out growth assay, and western blotting. We conducted an in-vivo wound healing assay in rat tail-skin. Results: Ten major active compounds were identified from HSF absolute. As determined by the XTT assay, Boyden chamber assay, and sprout-out growth assay results, HSF absolute exhibited similar effects as that of epidermal growth factor on the proliferation and migration patterns of keratinocytes (HaCaT cells), which were significantly increased after HSF absolute treatment. The expression levels of the phosphorylated signaling proteins relevant to proliferation, including extracellular signal-regulated kinase 1/2 (Erk 1/2) and Akt, were also determined by western blot analysis. Conclusion: These results of our in-vitro and ex-vivo studies indicate that HSF absolute induced cell growth and migration of HaCaT cells by phosphorylating both Erk 1/2 and Akt. Moreover, we confirmed the wound-healing effect of HSF on injury of the rat tail-skin. Therefore, our results suggest that HSF absolute is promising for use in cosmetics and alternative medicine. SUMMARY Hisbiscus syriacus L. flower absolute increases HaCaT cell migration and proliferation.Hisbiscus syriacus L. flower absolute regulates phosphorylation of ERK 1/2 and Akt in HaCaT cell.Treatment with Hisbiscus syriacus L. flower induced sprout outgrowth.The wound in the tail-skin of rat was reduced by Hisbiscus syriacus L. flower absolute Abbreviations used: HSF: Hibiscus syriacus L. flower, Erk 1/2: extracellular signal-regulated kinase 1/2, EGF: epidermal growth factor, GC/MS: gas chromatography-mass spectrometry, DMEM: dulbecco's modified eagle medium, FBS: fetal bovine serum, BSA: bovine serum albumin, p-Akt: phosphorylation of Akt, p-Erk 1/2: phosphorylation of Erk 1/2. PMID:28216888

Mumic acids A-E: new diterpenoids from mumiyo.

PubMed

Kiren, Yuko; Nugroho, Alfarius Eko; Hirasawa, Yusuke; Shirota, Osamu; Bekenova, Myrzaim; Narbekovich, Narbekov Omorbay; Shapilova, Marina; Maeno, Hiromichi; Morita, Hiroshi

2014-01-01

Five new diterpenoids belonging to labdane and isopimarane skeletons, mumic acids A-E (1-5), have been isolated from mumiyo. Their structures and absolute configurations were elucidated on the basis of spectroscopic data and chemical derivatization.

Varioloid A, a new indolyl-6,10b-dihydro-5aH-[1]benzofuro[2,3-b]indole derivative from the marine alga-derived endophytic fungus Paecilomyces variotii EN-291.

PubMed

Zhang, Peng; Li, Xiao-Ming; Mao, Xin-Xin; Mándi, Attila; Kurtán, Tibor; Wang, Bin-Gui

2016-01-01

A new indolyl-6,10b-dihydro-5a H -[1]benzofuro[2,3- b ]indole derivative, varioloid A ( 1 ), was isolated from the marine alga-derived endophytic fungus Paecilomyces variotii EN-291. Its structure was elucidated on the basis of extensive analysis of 1D and 2D NMR data and the absolute configuration was determined by time-dependent density functional theory-electronic circular dichroism (TDDFT-ECD) calculations. A similar compound, whose planar structure was previously described but the relative and absolute configurations and 13 C NMR data were not reported, was also identified and was tentatively named as varioloid B ( 2 ). Both compounds 1 and 2 exhibited cytotoxicity against A549, HCT116, and HepG2 cell lines, with IC 50 values ranging from 2.6 to 8.2 µg/mL.

Neonatal lungs--can absolute lung resistivity be determined non-invasively?

PubMed

Brown, B H; Primhak, R A; Smallwood, R H; Milnes, P; Narracott, A J; Jackson, M J

2002-07-01

The electrical resistivity of lung tissue can be related to the structure and composition of the tissue and also to the air content. Conditions such as pulmonary oedema and emphysema have been shown to change lung resistivity. However, direct access to the lungs to enable resistivity to be measured is very difficult. We have developed a new method of using electrical impedance tomographic (EIT) measurements on a group of 142 normal neonates to determine the absolute resistivity of lung tissue. The methodology involves comparing the measured EIT data with that from a finite difference model of the thorax in which lung tissue resistivity can be changed. A mean value of 5.7 +/- 1.7 omega(m) was found over the frequency range 4 kHz to 813 kHz. This value is lower than that usually given for adult lung tissue but consistent with the literature on the composition of the neonatal lung and with structural modelling.

Enhanced cortical connectivity in absolute pitch musicians: a model for local hyperconnectivity.

PubMed

Loui, Psyche; Li, H Charles; Hohmann, Anja; Schlaug, Gottfried

2011-04-01

Connectivity in the human brain has received increased scientific interest in recent years. Although connection disorders can affect perception, production, learning, and memory, few studies have associated brain connectivity with graded variations in human behavior, especially among normal individuals. One group of normal individuals who possess unique characteristics in both behavior and brain structure is absolute pitch (AP) musicians, who can name the appropriate pitch class of any given tone without a reference. Using diffusion tensor imaging and tractography, we observed hyperconnectivity in bilateral superior temporal lobe structures linked to AP possession. Furthermore, volume of tracts connecting left superior temporal gyrus to left middle temporal gyrus predicted AP performance. These findings extend previous reports of exaggerated temporal lobe asymmetry, may explain the higher incidence of AP in special populations, and may provide a model for understanding the heightened connectivity that is thought to underlie savant skills and cases of exceptional creativity.

Enhanced Cortical Connectivity in Absolute Pitch Musicians: A Model for Local Hyperconnectivity

PubMed Central

Loui, Psyche; Charles Li, Hui C.; Hohmann, Anja; Schlaug, Gottfried

2010-01-01

Connectivity in the human brain has received increased scientific interest in recent years. Although connection disorders can affect perception, production, learning, and memory, few studies have associated brain connectivity with graded variations in human behavior, especially among normal individuals. One group of normal individuals who possess unique characteristics in both behavior and brain structure is absolute pitch (AP) musicians, who can name the appropriate pitch class of any given tone without a reference. Using diffusion tensor imaging and tractography, we observed hyperconnectivity in bilateral superior temporal lobe structures linked to AP possession. Furthermore, volume of tracts connecting left superior temporal gyrus to left middle temporal gyrus predicted AP performance. These findings extend previous reports of exaggerated temporal lobe asymmetry, may explain the higher incidence of AP in developmental disorders, and may provide a model for understanding the heightened connectivity that is thought to underlie savant skills and cases of exceptional creativity. PMID:20515408

An Unusual Conformational Isomer of Verrucosidin Backbone from a Hydrothermal Vent Fungus, Penicillium sp. Y-50-10

PubMed Central

Pan, Chengqian; Shi, Yutong; Auckloo, Bibi Nazia; Chen, Xuegang; Chen, Chen-Tung Arthur; Tao, Xinyi; Wu, Bin

2016-01-01

A new verrucosidin derivative, methyl isoverrucosidinol (1), was isolated from the marine fungus Penicillium sp. Y-50-10, dwelling in sulfur rich sediment in the Kueishantao hydrothermal vents off Taiwan. The structure was established by spectroscopic means including HRMS and 2D-NMR spectroscopic analysis. The absolute configuration was defined mainly by comparison of quantum chemical TDDFT calculated and experimental ECD spectra. Among hitherto known compounds with a verrucosidine backbone isolated from natural resource, compound 1 represents the first example of a new conformational isomer of its skeleton, exhibiting antibiotic activity against Bacillus subtilis with MIC value 32 μg/mL. PMID:27548192

Structural robustness with suboptimal responses for linear state space model

NASA Technical Reports Server (NTRS)

Keel, L. H.; Lim, Kyong B.; Juang, Jer-Nan

1989-01-01

A relationship between the closed-loop eigenvalues and the amount of perturbations in the open-loop matrix is addressed in the context of performance robustness. If the allowable perturbation ranges of elements of the open-loop matrix A and the desired tolerance of the closed-loop eigenvalues are given such that max(j) of the absolute value of Delta-lambda(j) (A+BF) should be less than some prescribed value, what is a state feedback controller F which satisfies the closed-loop eigenvalue perturbation-tolerance requirement for a class of given perturbation in A? The paper gives an algorithm to design such a controller. Numerical examples are included for illustration.

Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.

PubMed

Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai

2016-01-04

The first triketone-phloroglucinol-monoterpene hybrids, callistrilones A and B (1 and 2), along with a postulated biosynthetic intermediate (3) were isolated from the leaves of Callistemon rigidus. Compounds 1 and 2 featured a new carbon skeleton with an unprecedented [1]benzofuro[2,3-a]xanthene or [1]benzofuro[3,2-b]xanthene pentacyclic ring system composed of three kinds of building blocks. Their structures and absolute configurations were elucidated by spectroscopic analysis, X-ray diffraction, and electronic circular dichroism (ECD) calculations. A plausible biogenetic pathway for the new compounds is also proposed. Compound 1 exhibited moderate antibacterial activity against Gram-positive bacteria including multiresistant strains.

Three new sesquiterpenes from Pterocarpus santalinus.

PubMed

Li, Li; Tao, Run-Hong; Wu, Ji-Ming; Guo, Ya-Ping; Huang, Chao; Liang, Hong-Gang; Fan, Le-Zhi; Zhang, Hai-Yan; Sun, Ren-Kuan; Shang, Lei; Lu, Li-Na; Huang, Jian; Wang, Jin-Hui

2018-04-01

Three new sesquiterpenes of canusesnol K (1), canusesnol L (2) and 12, 15-dihydroxycurcumene (3), along with five known ones (4-8), were isolated from the heartwood extract of Pterocarpus santalinus. Their structures were established by extensive analyses of 1D and 2D NMR spectroscopy, including 1 H NMR, 13 C NMR, HSQC, HMBC and NOESY, and HRESI-MS. The absolute configurations of the new compounds were established with Modified Mosher's method. The cytotoxic activities of all these compounds against HepG2 (human liver cancer), MCF-7 (human breast cancer), MDA-MB-231 (human breast cancer), and Hela (human cervical carcinoma) cancer cell lines were evaluated. Compound 1 exhibited moderate cytotoxic activity toward MDA-MB-231 cell lines.

Three new lignanamides from the root of Lycium chinense with anti-inflammatory activity.

PubMed

Chen, Fang; Huang, Xiao-Jun; Liang, Qiu-Ping; Huang, Yuan-Peng; Lan, Ting; Zhou, Guang-Xiong

2018-05-30

Three new lignanamides, that is, a new lignanamide (1), and a pair of enantiomers (2a and 2b) were isolated from the EtOAc-soluble fraction of an EtOH extract of the root of Lycium chinense. The structures of these new compounds, including their absolute configuration, were established on the basis of HR-ESI-MS, NMR spectroscopic data and quantum chemical ECD calculations. Compound 2a showed significant anti-inflammatory activity in LPS-induced RAW 264.7 macrophages with the IC 50 value of 10.77 ± 2.14 μM, comparing to that of positive control quercetin (17.21 ± 0.50 μM).

Cytotoxic garcimultiflorones K-Q, lavandulyl benzophenones from Garcinia multiflora branches.

PubMed

Wang, Zhao-Quan; Li, Xing-Yu; Hu, Dong-Bao; Long, Chun-Lin

2018-08-01

Seven undescribed lavandulyl benzophenones garcimultiflorones K-Q, and fourteen known compounds were isolated from the CHCl 3 soluble fraction of 95% EtOH extract of Garcinia multiflora branches. Their structures and absolute configurations were determined by spectroscopic techniques including NMR spectroscopy, MS analysis, and ECD calculations. Seven isolated compounds expect for garcimultiflorone L and garcimultiflorone O exhibited cytotoxic activities in vitro against five cancer cell lines (HL-60, A549, SMMC-7721, MCF-7, and SW480). It is worth mentioning that garcimultiflorone Q exhibited most significant cytotoxicities against five cancer cell lines with IC 50 values ranging from 3.07-12.56 μM. Copyright © 2018 Elsevier Ltd. All rights reserved.

Sophoflavanones A and B, two novel prenylated flavanones from the roots of Sophora flavescens.

PubMed

Zhu, Hui; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng

2018-09-01

In our ongoing investigation of the bioactive compounds from the extract of the roots of Sophora flavescens, two novel prenylated flavanones, named sophoflavanones A (1) and B (2), each with an unusual pyran ring were isolated. Their structures, as well as their absolute configurations, were elucidated based on spectroscopic data including a comparison of their experimental and calculated electronic circular dichroism (ECD) spectra. Additionally, compounds 1 and 2 showed moderate antioxidant activities against Fe 2+ /cysteine-induced toxicity at a concentration of 0.1 µM (inhibition values of 71.65% and 72.49%, respectively, using vitamin C as a positive control (87.83%)). Copyright © 2018 Elsevier Inc. All rights reserved.

Structural Characterization and Absolute Quantification of Microcystin Peptides Using Collision-Induced and Ultraviolet Photo-Dissociation Tandem Mass Spectrometry

NASA Astrophysics Data System (ADS)

Attard, Troy J.; Carter, Melissa D.; Fang, Mengxuan; Johnson, Rudolph C.; Reid, Gavin E.

2018-05-01

Microcystin (MC) peptides produced by cyanobacteria pose a hepatotoxic threat to human health upon ingestion from contaminated drinking water. While rapid MC identification and quantification in contaminated body fluids or tissue samples is important for patient treatment and outcomes, conventional immunoassay-based measurement strategies typically lack the specificity required for unambiguous determination of specific MC variants, whose toxicity can significantly vary depending on their structures. Furthermore, the unambiguous identification and accurate quantitation of MC variants using tandem mass spectrometry (MS/MS)-based methods can be limited due to a current lack of appropriate stable isotope-labeled internal standards. To address these limitations, we have systematically examined here the sequence and charge state dependence to the formation and absolute abundance of both "global" and "variant-specific" product ions from representative MC-LR, MC-YR, MC-RR, and MC-LA peptides, using higher-energy collisional dissociation (HCD)-MS/MS, ion-trap collision-induced dissociation (CID)-MS/MS and CID-MS3, and 193 nm ultraviolet photodissociation (UPVD)-MS/MS. HCD-MS/MS was found to provide the greatest detection sensitivity for both global and variant-specific product ions in each of the MC variants, except for MC-YR where a variant-specific product uniquely formed via UPVD-MS/MS was observed with the greatest absolute abundance. A simple methodology for the preparation and characterization of 18O-stable isotope-labeled MC reference materials for use as internal standards was also developed. Finally, we have demonstrated the applicability of the methods developed herein for absolute quantification of MC-LR present in human urine samples, using capillary scale liquid chromatography coupled with ultra-high resolution / accurate mass spectrometry and HCD-MS/MS.

Non-invasive detection and quantification of brain microvascular deficits by near-infrared spectroscopy in a rat model of Vascular Cognitive Impairment

NASA Astrophysics Data System (ADS)

Hallacoglu, Bertan; Sassaroli, Angelo M.; Rosenberg, Irwin H.; Troen, Aron; Fantini, Sergio

2011-02-01

Structural abnormalities in brain microvasculature are commonly associated with Alzheimer's Disease and other dementias. However, the extent to which structural microvascular abnormalities cause functional impairments in brain circulation and thereby to cognitive impairment is unclear. Non-invasive, near-infrared spectroscopy (NIRS) methods can be used to determine the absolute hemoglobin concentration and saturation in brain tissue, from which additional parameters such as cerebral blood volume (a theoretical correlate of brain microvascular density) can be derived. Validating such NIRS parameters in animal models, and understanding their relationship to cognitive function is an important step in the ultimate application of these methods to humans. To this end we applied a non-invasive multidistance NIRS method to determine the absolute concentration and saturation of cerebral hemoglobin in rat, by separately measuring absorption and reduced scattering coefficients without relying on pre- or post-correction factors. We applied this method to study brain circulation in folate deficient rats, which express brain microvascular pathology1 and which we have shown to develop cognitive impairment.2 We found absolute brain hemoglobin concentration ([HbT]) and oxygen saturation (StO2) to be significantly lower in folate deficient rats (n=6) with respect to control rats (n=5) (for [HbT]: 73+/-10 μM vs. 95+/-14 μM for StO2: 55%+/-7% vs. 66% +/-4%), implicating microvascular pathology and diminished oxygen delivery as a mechanism of cognitive impairment. More generally, our study highlights how noninvasive, absolute NIRS measurements can provide unique insight into the pathophysiology of Vascular Cognitive Impairment. Applying this method to this and other rat models of cognitive impairment will help to validate physiologically meaningful NIRS parameters for the ultimate goal of studying cerebral microvascular disease and cognitive decline in humans.

Patterns and determinants of functional and absolute iron deficiency in patients undergoing cardiac rehabilitation following heart surgery.

PubMed

Tramarin, Roberto; Pistuddi, Valeria; Maresca, Luigi; Pavesi, Marco; Castelvecchio, Serenella; Menicanti, Lorenzo; de Vincentiis, Carlo; Ranucci, Marco

2017-05-01

Background Anaemia and iron deficiency are frequent following major surgery. The present study aims to identify the iron deficiency patterns in cardiac surgery patients at their admission to a cardiac rehabilitation programme, and to determine which perioperative risk factor(s) may be associated with functional and absolute iron deficiency. Design This was a retrospective study on prospectively collected data. Methods The patient population included 339 patients. Functional iron deficiency was defined in the presence of transferrin saturation <20% and serum ferritin ≥100 µg/l. Absolute iron deficiency was defined in the presence of serum ferritin values <100 µg/l. Results Functional iron deficiency was found in 62.9% of patients and absolute iron deficiency in 10% of the patients. At a multivariable analysis, absolute iron deficiency was significantly ( p = 0.001) associated with mechanical prosthesis mitral valve replacement (odds ratio 5.4, 95% confidence interval 1.9-15) and tissue valve aortic valve replacement (odds ratio 4.5, 95% confidence interval 1.9-11). In mitral valve surgery, mitral repair carried a significant ( p = 0.013) lower risk of absolute iron deficiency (4.4%) than mitral valve replacement with tissue valves (8.3%) or mechanical prostheses (22.5%). Postoperative outcome did not differ between patients with functional iron deficiency and patients without iron deficiency; patients with absolute iron deficiency had a significantly ( p = 0.017) longer postoperative hospital stay (median 11 days) than patients without iron deficiency (median nine days) or with functional iron deficiency (median eight days). Conclusions Absolute iron deficiency following cardiac surgery is more frequent in heart valve surgery and is associated with a prolonged hospital stay. Routine screening for iron deficiency at admission in the cardiac rehabilitation unit is suggested.

The Berg Balance Scale has high intra- and inter-rater reliability but absolute reliability varies across the scale: a systematic review.

PubMed

Downs, Stephen; Marquez, Jodie; Chiarelli, Pauline

2013-06-01

What is the intra-rater and inter-rater relative reliability of the Berg Balance Scale? What is the absolute reliability of the Berg Balance Scale? Does the absolute reliability of the Berg Balance Scale vary across the scale? Systematic review with meta-analysis of reliability studies. Any clinical population that has undergone assessment with the Berg Balance Scale. Relative intra-rater reliability, relative inter-rater reliability, and absolute reliability. Eleven studies involving 668 participants were included in the review. The relative intrarater reliability of the Berg Balance Scale was high, with a pooled estimate of 0.98 (95% CI 0.97 to 0.99). Relative inter-rater reliability was also high, with a pooled estimate of 0.97 (95% CI 0.96 to 0.98). A ceiling effect of the Berg Balance Scale was evident for some participants. In the analysis of absolute reliability, all of the relevant studies had an average score of 20 or above on the 0 to 56 point Berg Balance Scale. The absolute reliability across this part of the scale, as measured by the minimal detectable change with 95% confidence, varied between 2.8 points and 6.6 points. The Berg Balance Scale has a higher absolute reliability when close to 56 points due to the ceiling effect. We identified no data that estimated the absolute reliability of the Berg Balance Scale among participants with a mean score below 20 out of 56. The Berg Balance Scale has acceptable reliability, although it might not detect modest, clinically important changes in balance in individual subjects. The review was only able to comment on the absolute reliability of the Berg Balance Scale among people with moderately poor to normal balance. Copyright © 2013 Australian Physiotherapy Association. Published by .. All rights reserved.

The association between ambient temperature and childhood asthma: a systematic review

NASA Astrophysics Data System (ADS)

Xu, Zhiwei; Crooks, James Lewis; Davies, Janet Mary; Khan, Al Fazal; Hu, Wenbiao; Tong, Shilu

2018-03-01

The objectives of this study are to review available information on the association between ambient temperature and childhood asthma, and to elucidate the possible underlying mechanisms of this relationship. A systematic review was conducted based on the papers retrieved from four databases, including PubMed, ProQuest, ScienceDirect, and Scopus. Papers examining the association of absolute temperature or temperature variation with childhood asthma published from 1 January 2000 to 31 December 2016 were included. Thirteen papers have quantified the effect of absolute temperature on childhood asthma, and six papers have examined the effect of intra- or inter-day temperature variation on childhood asthma. All studies were conducted in urban areas. Aeroallergen sensitizations were only considered in the analyses of one study. Discrepancy existed in the significance of the relationship between absolute temperature and childhood asthma, and also in the shape of this relationship (i.e. linear or non-linear) and whether temperature effects were lagged. Increasing evidence is suggesting non-linear relationship between absolute temperature and childhood asthma. Future research should investigate the burden of childhood asthma specifically attributable to extreme temperatures and temperature variation using advanced statistical approach, particularly in rural areas, after properly considering aeroallergens and air pollution. Projecting future burden of childhood asthma under climate change scenarios is also warranted.

The association between ambient temperature and childhood asthma: a systematic review.

PubMed

Xu, Zhiwei; Crooks, James Lewis; Davies, Janet Mary; Khan, Al Fazal; Hu, Wenbiao; Tong, Shilu

2018-03-01

The objectives of this study are to review available information on the association between ambient temperature and childhood asthma, and to elucidate the possible underlying mechanisms of this relationship. A systematic review was conducted based on the papers retrieved from four databases, including PubMed, ProQuest, ScienceDirect, and Scopus. Papers examining the association of absolute temperature or temperature variation with childhood asthma published from 1 January 2000 to 31 December 2016 were included. Thirteen papers have quantified the effect of absolute temperature on childhood asthma, and six papers have examined the effect of intra- or inter-day temperature variation on childhood asthma. All studies were conducted in urban areas. Aeroallergen sensitizations were only considered in the analyses of one study. Discrepancy existed in the significance of the relationship between absolute temperature and childhood asthma, and also in the shape of this relationship (i.e. linear or non-linear) and whether temperature effects were lagged. Increasing evidence is suggesting non-linear relationship between absolute temperature and childhood asthma. Future research should investigate the burden of childhood asthma specifically attributable to extreme temperatures and temperature variation using advanced statistical approach, particularly in rural areas, after properly considering aeroallergens and air pollution. Projecting future burden of childhood asthma under climate change scenarios is also warranted.

Hydraulic head estimation at unobserved locations: Approximating the distribution of the absolute error based on geologic interpretations

NASA Astrophysics Data System (ADS)

Langousis, Andreas; Kaleris, Vassilios; Xeygeni, Vagia; Magkou, Foteini

2017-04-01

Assessing the availability of groundwater reserves at a regional level, requires accurate and robust hydraulic head estimation at multiple locations of an aquifer. To that extent, one needs groundwater observation networks that can provide sufficient information to estimate the hydraulic head at unobserved locations. The density of such networks is largely influenced by the spatial distribution of the hydraulic conductivity in the aquifer, and it is usually determined through trial-and-error, by solving the groundwater flow based on a properly selected set of alternative but physically plausible geologic structures. In this work, we use: 1) dimensional analysis, and b) a pulse-based stochastic model for simulation of synthetic aquifer structures, to calculate the distribution of the absolute error in hydraulic head estimation as a function of the standardized distance from the nearest measuring locations. The resulting distributions are proved to encompass all possible small-scale structural dependencies, exhibiting characteristics (bounds, multi-modal features etc.) that can be explained using simple geometric arguments. The obtained results are promising, pointing towards the direction of establishing design criteria based on large-scale geologic maps.

From cosmic chirality to protein structure: Lord Kelvin's legacy.

PubMed

Barron, Laurence D

2012-11-01

A selection of my work on chirality is sketched in two distinct parts of this lecture. Symmetry and Chirality explains how the discrete symmetries of parity P, time reversal T, and charge conjugation C may be used to characterize the properties of chiral systems. The concepts of true chirality (time-invariant enantiomorphism) and false chirality (time-noninvariant enantiomorphism) that emerge provide an extension of Lord Kelvin's original definition of chirality to situations where motion is an essential ingredient thereby clarifying, inter alia, the nature of physical influences able to induce absolute enantioselection. Consideration of symmetry violations reveals that strict enantiomers (exactly degenerate) are interconverted by the combined CP operation. Raman optical activity surveys work, from first observation to current applications, on a new chiroptical spectroscopy that measures vibrational optical activity via Raman scattering of circularly polarized light. Raman optical activity provides incisive information ranging from absolute configuration and complete solution structure of smaller chiral molecules and oligomers to protein and nucleic acid structure of intact viruses. Copyright © 2012 Wiley Periodicals, Inc., A Wiley Company.

Calibration of the Odyssey Photosynthetic Irradiance Recorder for Absolute Irradiance Measures

EPA Science Inventory

Researchers are increasingly interested in measuring hotosynthetically active radiation (PAR) because of its importance in determining the structure and function of lotic ecosystems. The Odyssey Photosynthetic Irradiance Recorder is an affordable PAR meter gaining popularity am...

Absolute Position of Targets Measured Through a Chamber Window Using Lidar Metrology Systems

NASA Technical Reports Server (NTRS)

Kubalak, David; Hadjimichael, Theodore; Ohl, Raymond; Slotwinski, Anthony; Telfer, Randal; Hayden, Joseph

2012-01-01

Lidar is a useful tool for taking metrology measurements without the need for physical contact with the parts under test. Lidar instruments are aimed at a target using azimuth and elevation stages, then focus a beam of coherent, frequency modulated laser energy onto the target, such as the surface of a mechanical structure. Energy from the reflected beam is mixed with an optical reference signal that travels in a fiber path internal to the instrument, and the range to the target is calculated based on the difference in the frequency of the returned and reference signals. In cases when the parts are in extreme environments, additional steps need to be taken to separate the operator and lidar from that environment. A model has been developed that accurately reduces the lidar data to an absolute position and accounts for the three media in the testbed air, fused silica, and vacuum but the approach can be adapted for any environment or material. The accuracy of laser metrology measurements depends upon knowing the parameters of the media through which the measurement beam travels. Under normal conditions, this means knowledge of the temperature, pressure, and humidity of the air in the measurement volume. In the past, chamber windows have been used to separate the measuring device from the extreme environment within the chamber and still permit optical measurement, but, so far, only relative changes have been diagnosed. The ability to make accurate measurements through a window presents a challenge as there are a number of factors to consider. In the case of the lidar, the window will increase the time-of-flight of the laser beam causing a ranging error, and refract the direction of the beam causing angular positioning errors. In addition, differences in pressure, temperature, and humidity on each side of the window will cause slight atmospheric index changes and induce deformation and a refractive index gradient within the window. Also, since the window is a dispersive media, the effect of both phase and group indices have to be considered. Taking all these factors into account, a method was developed to measure targets through multiple regions of different materials and produce results that are absolute measurements of target position in three-dimensional space, rather than simply relative position. The environment in which the lidar measurements are taken must be broken down into separate regions of interest and each region solved for separately. In this case, there were three regions of interest: air, fused silica, and vacuum. The angular position of the target inside the chamber is solved using only phase index and phase velocity, while the ranging effects due to travel from air to glass to vacuum/air are solved with group index and group velocity. When all parameters are solved simultaneously, an absolute knowledge of the position of each target within an environmental chamber can be derived. Novel features of this innovation include measuring absolute position of targets through multiple dispersive and non-dispersive media, deconstruction of lidar raw data from a commercial off-the-shelf unit into reworkable parameters, and use of group velocities to reduce range data. Measurement of structures within a vacuum chamber or other harsh environment, such as a furnace, may now be measured as easily as if they were in an ambient laboratory. This analysis permits transformation of the raw data into absolute spatial units (e.g., mm). This technique has also been extended to laser tracker, theodolite, and cathetometer measurements through refractive media.

Absolute and estimated values of macular pigment optical density in young and aged Asian participants with or without age-related macular degeneration.

PubMed

Ozawa, Yoko; Shigeno, Yuta; Nagai, Norihiro; Suzuki, Misa; Kurihara, Toshihide; Minami, Sakiko; Hirano, Eri; Shinoda, Hajime; Kobayashi, Saori; Tsubota, Kazuo

2017-08-29

Lutein and zeaxanthin are suggested micronutrient supplements to prevent the progression of age-related macular degeneration (AMD), a leading cause of blindness worldwide. To monitor the levels of lutein/zeaxanthin in the macula, macular pigment optical density (MPOD) is measured. A commercially available device (MPSII®, Elektron Technology, Switzerland), using technology based on heterochromatic flicker photometry, can measure both absolute and estimated values of MPOD. However, whether the estimated value is applicable to Asian individuals and/or AMD patients remains to be determined. The absolute and estimated values of MPOD were measured using the MPSII® device in 77 participants with a best-corrected visual acuity (BCVA) > 0.099 (logMAR score). The studied eyes included 17 young (20-29 years) healthy, 26 aged (>50 years) healthy, 18 aged and AMD-fellow, and 16 aged AMD eyes. The mean BCVA among the groups were not significantly different. Both absolute and estimated values were measurable in all eyes of young healthy group. However, absolute values were measurable in only 57.7%, 66.7%, and 43.8%, of the aged healthy, AMD-fellow, and AMD groups, respectively, and 56.7% of the eyes included in the 3 aged groups. In contrast, the estimated value was measurable in 84.6%, 88.9% and 93.8% of the groups, respectively, and 88.3% of eyes in the pooled aged group. The estimated value was correlated with absolute value in individuals from all groups by Spearman's correlation coefficient analyses (young healthy: R 2  = 0.885, P = 0.0001; aged healthy: R 2  = 0.765, P = 0.001; AMD-fellow: R 2  = 0.851, P = 0.0001; and AMD: R 2  = 0.860, P = 0.013). Using the estimated value, significantly lower MPOD values were found in aged AMD-related eyes, which included both AMD-fellow and AMD eyes, compared with aged healthy eyes by Student's t-test (P = 0.02). Absolute, in contrast to estimated, value was measurable in a limited number of aged participants; however, it was correlated with estimated value both in young and aged Asian populations with or without AMD. These results may inform future clinical studies investigating the measurement of MPOD in understanding the role of macular pigments in the pathogenesis of AMD.

Towards a chromatographic similarity index to establish localised quantitative structure-retention relationships for retention prediction. II Use of Tanimoto similarity index in ion chromatography.

PubMed

Park, Soo Hyun; Talebi, Mohammad; Amos, Ruth I J; Tyteca, Eva; Haddad, Paul R; Szucs, Roman; Pohl, Christopher A; Dolan, John W

2017-11-10

Quantitative Structure-Retention Relationships (QSRR) are used to predict retention times of compounds based only on their chemical structures encoded by molecular descriptors. The main concern in QSRR modelling is to build models with high predictive power, allowing reliable retention prediction for the unknown compounds across the chromatographic space. With the aim of enhancing the prediction power of the models, in this work, our previously proposed QSRR modelling approach called "federation of local models" is extended in ion chromatography to predict retention times of unknown ions, where a local model for each target ion (unknown) is created using only structurally similar ions from the dataset. A Tanimoto similarity (TS) score was utilised as a measure of structural similarity and training sets were developed by including ions that were similar to the target ion, as defined by a threshold value. The prediction of retention parameters (a- and b-values) in the linear solvent strength (LSS) model in ion chromatography, log k=a - blog[eluent], allows the prediction of retention times under all eluent concentrations. The QSRR models for a- and b-values were developed by a genetic algorithm-partial least squares method using the retention data of inorganic and small organic anions and larger organic cations (molecular mass up to 507) on four Thermo Fisher Scientific columns (AS20, AS19, AS11HC and CS17). The corresponding predicted retention times were calculated by fitting the predicted a- and b-values of the models into the LSS model equation. The predicted retention times were also plotted against the experimental values to evaluate the goodness of fit and the predictive power of the models. The application of a TS threshold of 0.6 was found to successfully produce predictive and reliable QSRR models (Q ext(F2) 2 >0.8 and Mean Absolute Error<0.1), and hence accurate retention time predictions with an average Mean Absolute Error of 0.2min. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

NASA Astrophysics Data System (ADS)

Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

2017-07-01

While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

Surface-enhanced Raman spectroscopic and surface plasmon resonance in situ study of self-assembly of 4-mercaptobenzoic acid on gold surface

NASA Astrophysics Data System (ADS)

Thi, Minh Do; Volka, Karel

2010-07-01

A feasibility study has been undertaken to assess the suitability of a commercially available SERS substrate for monitoring of self-assembling deposition process. Monolayer self-assembly of 4-mercaptobenzoic acid on SERS active substrate Klarite™ from absolute and acidified ethanol was studied and compared with deposition on SPR substrate from absolute ethanol. Changes in integral intensity of the phenyl bands at 1587 and 1076 cm -1 and ethanol band at 1451 cm -1 allow to follow structural changes in the monolayer. Stability of the monolayer assembled from acidified ethanol in contrast to the pure ethanol was demonstrated.

Calibration of the Reflected Solar Instrument for the Climate Absolute Radiance and Refractivity Observatory

NASA Technical Reports Server (NTRS)

Thome, Kurtis; Barnes, Robert; Baize, Rosemary; O'Connell, Joseph; Hair, Jason

2010-01-01

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) plans to observe climate change trends over decadal time scales to determine the accuracy of climate projections. The project relies on spaceborne earth observations of SI-traceable variables sensitive to key decadal change parameters. The mission includes a reflected solar instrument retrieving at-sensor reflectance over the 320 to 2300 nm spectral range with 500-m spatial resolution and 100-km swath. Reflectance is obtained from the ratio of measurements of the earth s surface to those while viewing the sun relying on a calibration approach that retrieves reflectance with uncertainties less than 0.3%. The calibration is predicated on heritage hardware, reduction of sensor complexity, adherence to detector-based calibration standards, and an ability to simulate in the laboratory on-orbit sources in both size and brightness to provide the basis of a transfer to orbit of the laboratory calibration including a link to absolute solar irradiance measurements.

The interactive role of income (material position) and income rank (psychosocial position) in psychological distress: a 9-year longitudinal study of 30,000 UK parents.

PubMed

Garratt, Elisabeth A; Chandola, Tarani; Purdam, Kingsley; Wood, Alex M

2016-10-01

Parents face an increased risk of psychological distress compared with adults without children, and families with children also have lower average household incomes. Past research suggests that absolute income (material position) and income status (psychosocial position) influence psychological distress, but their combined effects on changes in psychological distress have not been examined. Whether absolute income interacts with income status to influence psychological distress are also key questions. We used fixed-effects panel models to examine longitudinal associations between psychological distress (measured on the Kessler scale) and absolute income, distance from the regional mean income, and regional income rank (a proxy for status) using data from 29,107 parents included in the UK Millennium Cohort Study (2003-2012). Psychological distress was determined by an interaction between absolute income and income rank: higher absolute income was associated with lower psychological distress across the income spectrum, while the benefits of higher income rank were evident only in the highest income parents. Parents' psychological distress was, therefore, determined by a combination of income-related material and psychosocial factors. Both material and psychosocial factors contribute to well-being. Higher absolute incomes were associated with lower psychological distress across the income spectrum, demonstrating the importance of material factors. Conversely, income status was associated with psychological distress only at higher absolute incomes, suggesting that psychosocial factors are more relevant to distress in more advantaged, higher income parents. Clinical interventions could, therefore, consider both the material and psychosocial impacts of income on psychological distress.

Linking Comparisons of Absolute Gravimeters: A Proof of Concept for a new Global Absolute Gravity Reference System.

NASA Astrophysics Data System (ADS)

Wziontek, H.; Palinkas, V.; Falk, R.; Vaľko, M.

2016-12-01

Since decades, absolute gravimeters are compared on a regular basis on an international level, starting at the International Bureau for Weights and Measures (BIPM) in 1981. Usually, these comparisons are based on constant reference values deduced from all accepted measurements acquired during the comparison period. Temporal changes between comparison epochs are usually not considered. Resolution No. 2, adopted by IAG during the IUGG General Assembly in Prague 2015, initiates the establishment of a Global Absolute Gravity Reference System based on key comparisons of absolute gravimeters (AG) under the International Committee for Weights and Measures (CIPM) in order to establish a common level in the microGal range. A stable and unique reference frame can only be achieved, if different AG are taking part in different kind of comparisons. Systematic deviations between the respective comparison reference values can be detected, if the AG can be considered stable over time. The continuous operation of superconducting gravimeters (SG) on selected stations further supports the temporal link of comparison reference values by establishing a reference function over time. By a homogenous reprocessing of different comparison epochs and including AG and SG time series at selected stations, links between several comparisons will be established and temporal comparison reference functions will be derived. By this, comparisons on a regional level can be traced to back to the level of key comparisons, providing a reference for other absolute gravimeters. It will be proved and discussed, how such a concept can be used to support the future absolute gravity reference system.

Mapping absolute tissue endogenous fluorophore concentrations with chemometric wide-field fluorescence microscopy

NASA Astrophysics Data System (ADS)

Xu, Zhang; Reilley, Michael; Li, Run; Xu, Min

2017-06-01

We report chemometric wide-field fluorescence microscopy for imaging the spatial distribution and concentration of endogenous fluorophores in thin tissue sections. Nonnegative factorization aided by spatial diversity is used to learn both the spectral signature and the spatial distribution of endogenous fluorophores from microscopic fluorescence color images obtained under broadband excitation and detection. The absolute concentration map of individual fluorophores is derived by comparing the fluorescence from "pure" fluorophores under the identical imaging condition following the identification of the fluorescence species by its spectral signature. This method is then demonstrated by characterizing the concentration map of endogenous fluorophores (including tryptophan, elastin, nicotinamide adenine dinucleotide, and flavin adenine dinucleotide) for lung tissue specimens. The absolute concentrations of these fluorophores are all found to decrease significantly from normal, perilesional, to cancerous (squamous cell carcinoma) tissue. Discriminating tissue types using the absolute fluorophore concentration is found to be significantly more accurate than that achievable with the relative fluorescence strength. Quantification of fluorophores in terms of the absolute concentration map is also advantageous in eliminating the uncertainties due to system responses or measurement details, yielding more biologically relevant data, and simplifying the assessment of competing imaging approaches.

Theonellapeptolide IIIe, a new cyclic peptolide from the New Zealand deep water sponge, Lamellomorpha strongylata.

PubMed

Li, S; Dumdei, E J; Blunt, J W; Munro, M H; Robinson, W T; Pannell, L K

1998-06-26

The structure, stereochemistry, and conformation of theonellapeptolide IIIe (1), a new 36-membered ring cyclic peptolide from the New Zealand deep-water sponge Lamellomorpha strongylata, is described. The sequence of the cytotoxic peptolide was determined through a combination of NMR and MS-MS techniques and confirmed by X-ray crystal structure analysis, which, with chiral HPLC, established the absolute stereochemistry.

Raman Optical Activity of Biological Molecules

NASA Astrophysics Data System (ADS)

Blanch, Ewan W.; Barron, Laurence D.

Now an incisive probe of biomolecular structure, Raman optical activity (ROA) measures a small difference in Raman scattering from chiral molecules in right- and left-circularly polarized light. As ROA spectra measure vibrational optical activity, they contain highly informative band structures sensitive to the secondary and tertiary structures of proteins, nucleic acids, viruses and carbohydrates as well as the absolute configurations of small molecules. In this review we present a survey of recent studies on biomolecular structure and dynamics using ROA and also a discussion of future applications of this powerful new technique in biomedical research.

On the Absolutely Continuous Spectrum of Stark Operators

NASA Astrophysics Data System (ADS)

Perelman, Galina

The stability of the absolutely continuous spectrum of the one-dimensional Stark operator under perturbations of the potential is discussed. The focus is on proving this stability under minimal assumptions on smoothness of the perturbation. A general criterion is presented together with some applications. These include the case of periodic perturbations where we show that any perturbation vL1()∩H-1/2() preserves the a.c. spectrum.

Absolute photoionization cross sections of atomic oxygen

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Pareek, P. N.

1982-01-01

The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

Absolute photoionization cross sections of atomic oxygen

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Pareek, P. N.

1985-01-01

The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

Calibration Against the Moon. I: A Disk-Resolved Lunar Model for Absolute Reflectance Calibration

DTIC Science & Technology

2010-01-01

average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and...3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE Calibration against the Moon I: A disk- resolved lunar model for absolute reflectance...of the disk- resolved Moon at visible to near infrared wavelengths. It has been developed in order to use the Moon as a calibration reference

Regional biases in absolute sea-level estimates from tide gauge data due to residual unmodeled vertical land movement

NASA Astrophysics Data System (ADS)

King, Matt A.; Keshin, Maxim; Whitehouse, Pippa L.; Thomas, Ian D.; Milne, Glenn; Riva, Riccardo E. M.

2012-07-01

The only vertical land movement signal routinely corrected for when estimating absolute sea-level change from tide gauge data is that due to glacial isostatic adjustment (GIA). We compare modeled GIA uplift (ICE-5G + VM2) with vertical land movement at ˜300 GPS stations located near to a global set of tide gauges, and find regionally coherent differences of commonly ±0.5-2 mm/yr. Reference frame differences and signal due to present-day mass trends cannot reconcile these differences. We examine sensitivity to the GIA Earth model by fitting to a subset of the GPS velocities and find substantial regional sensitivity, but no single Earth model is able to reduce the disagreement in all regions. We suggest errors in ice history and neglected lateral Earth structure dominate model-data differences, and urge caution in the use of modeled GIA uplift alone when interpreting regional- and global- scale absolute (geocentric) sea level from tide gauge data.

Absolute Summ

NASA Astrophysics Data System (ADS)

Phillips, Alfred, Jr.

Summ means the entirety of the multiverse. It seems clear, from the inflation theories of A. Guth and others, that the creation of many universes is plausible. We argue that Absolute cosmological ideas, not unlike those of I. Newton, may be consistent with dynamic multiverse creations. As suggested in W. Heisenberg's uncertainty principle, and with the Anthropic Principle defended by S. Hawking, et al., human consciousness, buttressed by findings of neuroscience, may have to be considered in our models. Predictability, as A. Einstein realized with Invariants and General Relativity, may be required for new ideas to be part of physics. We present here a two postulate model geared to an Absolute Summ. The seedbed of this work is part of Akhnaton's philosophy (see S. Freud, Moses and Monotheism). Most important, however, is that the structure of human consciousness, manifest in Kenya's Rift Valley 200,000 years ago as Homo sapiens, who were the culmination of the six million year co-creation process of Hominins and Nature in Africa, allows us to do the physics that we do. .

The Near-infrared Tip of the Red Giant Branch. II. An Absolute Calibration in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Hoyt, Taylor J.; Freedman, Wendy L.; Madore, Barry F.; Seibert, Mark; Beaton, Rachael L.; Hatt, Dylan; Jang, In Sung; Lee, Myung Gyoon; Monson, Andrew J.; Rich, Jeffrey A.

2018-05-01

We present a new empirical JHK absolute calibration of the tip of the red giant branch (TRGB) in the Large Magellanic Cloud (LMC). We use published data from the extensive Near-Infrared Synoptic Survey containing 3.5 million stars, 65,000 of which are red giants that fall within one magnitude of the TRGB. Adopting the TRGB slopes from a companion study of the isolated dwarf galaxy IC 1613, as well as an LMC distance modulus of μ 0 = 18.49 mag from (geometric) detached eclipsing binaries, we derive absolute JHK zero points for the near-infrared TRGB. For a comparison with measurements in the bar alone, we apply the calibrated JHK TRGB to a 500 deg2 area of the 2MASS survey. The TRGB reveals the 3D structure of the LMC with a tilt in the direction perpendicular to the major axis of the bar, which is in agreement with previous studies.

Interpretation of the COBE FIRAS CMBR spectrum

NASA Technical Reports Server (NTRS)

Wright, E. L.; Mather, J. C.; Fixsen, D. J.; Kogut, A.; Shafer, R. A.; Bennett, C. L.; Boggess, N. W.; Cheng, E. S.; Silverberg, R. F.; Smoot, G. F.

1994-01-01

The cosmic microwave background radiation (CMBR) spectrum measured by the Far-Infrared Absolute Spectrophotometer (FIRAS) instrument on NASA's Cosmic Background Explorer (COBE) is indistinguishable from a blackbody, implying stringent limits on energy release in the early universe later than the time t = 1 yr after the big bang. We compare the FIRAS data to previous precise measurements of the cosmic microwave background spectrum and find a reasonable agreement. We discuss the implications of the absolute value of y is less than 2.5 x 10(exp -5) and the absolute value of mu is less than 3.3 x 10(exp -4) 95% confidence limits found by Mather et al. (1994) on many processes occurring after t = 1 yr, such as explosive structure formation, reionization, and dissipation of small-scale density perturbations. We place limits on models with dust plus Population III stars, or evolving populations of IR galaxies, by directly comparing the Mather et al. spectrum to the model predictions.

New consistency tests for high-accuracy measurements of X-ray mass attenuation coefficients by the X-ray extended-range technique.

PubMed

Chantler, C T; Islam, M T; Rae, N A; Tran, C Q; Glover, J L; Barnea, Z

2012-03-01

An extension of the X-ray extended-range technique is described for measuring X-ray mass attenuation coefficients by introducing absolute measurement of a number of foils - the multiple independent foil technique. Illustrating the technique with the results of measurements for gold in the 38-50 keV energy range, it is shown that its use enables selection of the most uniform and well defined of available foils, leading to more accurate measurements; it allows one to test the consistency of independently measured absolute values of the mass attenuation coefficient with those obtained by the thickness transfer method; and it tests the linearity of the response of the counter and counting chain throughout the range of X-ray intensities encountered in a given experiment. In light of the results for gold, the strategy to be ideally employed in measuring absolute X-ray mass attenuation coefficients, X-ray absorption fine structure and related quantities is discussed.

Hard times, hard choices: founding bioethics today.

PubMed

Gracia, Diego

1995-07-01

The discussions of these past twenty years have significantly improved our knowledge about the foundation of bioethics and the meaning of the four bioethical principles with concern to at least three different points: that they are organised hierarchically, and therefore not "prima facie" of the same level; that they have exceptions, and consequently lack of absolute character; and that they are neither strictly deontological nor purely teleological. The only absolute principle of moral life can be the abstract and unconcrete respect of human beings. But when determining the material content of this respect, principles become contingent and relative. Therefore, moral reasoning must have necessarily no less than three moments, one absolute but merely formal, namely respect for all human beings, and the other two relative and material. The first material moment is comprised of the four bioethical principles, divided into two levels, one private, including the principles of autonomy and beneficence, and the other one public, including those of nonmaleficence and justice. The second material moment deals with specific cases, and requires analysis of their context, including their circumstances and consequences. Only when following these steps, and therefore balancing principlism and contextualism, can moral reasoning be correct and complete.

Neutron activation analysis of certified samples by the absolute method

NASA Astrophysics Data System (ADS)

Kadem, F.; Belouadah, N.; Idiri, Z.

2015-07-01

The nuclear reactions analysis technique is mainly based on the relative method or the use of activation cross sections. In order to validate nuclear data for the calculated cross section evaluated from systematic studies, we used the neutron activation analysis technique (NAA) to determine the various constituent concentrations of certified samples for animal blood, milk and hay. In this analysis, the absolute method is used. The neutron activation technique involves irradiating the sample and subsequently performing a measurement of the activity of the sample. The fundamental equation of the activation connects several physical parameters including the cross section that is essential for the quantitative determination of the different elements composing the sample without resorting to the use of standard sample. Called the absolute method, it allows a measurement as accurate as the relative method. The results obtained by the absolute method showed that the values are as precise as the relative method requiring the use of standard sample for each element to be quantified.

How Can Men Convicted of Violence Against Women Feel Moral While Holding Sexist and Violent Attitudes? A Homeostatic Moral Model Based on Self-Deception.

PubMed

Vecina, María L

2018-05-01

A moral model is proposed to understand how men convicted of violence against the partner can feel moral in spite of their past violent behavior and their current violent and sexist attitudes. Because of its appeal to the role of self-deception and its relationship to psychological well-being, it was hypothesized that a rigid conception about what is right and wrong (moral absolutism) is associated with ambivalent outcomes that keep their psychological system in homeostasis. The relationships were specified a priori and tested using path analysis. Several fit indices supported the adequacy of the model and showed that moral absolutism was indirectly related to both psychological well-being and a good moral self-conceptualization through self-deception. At the same time, moral absolutism was related to sexist and violent attitudes and a poor moral self-conceptualization. Future interventions could include strategies to reduce the resistances to change based on the reduction of moral absolutism and self-deception.

A description of phases with induced hybridisation at finite temperatures

NASA Astrophysics Data System (ADS)

Golosov, D. I.

2018-05-01

In an extended Falicov-Kimball model, an excitonic insulator phase can be stabilised at zero temperature. With increasing temperature, the excitonic order parameter (interaction-induced hybridisation on-site, characterised by the absolute value and phase) eventually becomes disordered, which involves fluctuations of both its phase and (at higher T) its absolute value. In order to build an adequate mean field description, it is important to clarify the nature of degrees of freedom associated with the phase and absolute value of the induced hybridisation, and the corresponding phase space volume. We show that a possible description is provided by the SU(4) parametrisation on-site. In principle, this allows to describe both the lower-temperature regime where phase fluctuations destroy the long-range order, and the higher temperature crossover corresponding to a decrease of absolute value of the hybridisation relative to the fluctuations level. This picture is also expected to be relevant in other contexts, including the Kondo lattice model.

Self-absorption paradox is not a paradox: illuminating the dark side of self-reflection.

PubMed

Simsek, Omer Faruk

2013-01-01

Although considered an important component of a healthy personality, self-reflection has not so far been shown to have any specific benefits for mental health. This research addresses this issue by taking into consideration two important suppressor variables, self-rumination and the need for absolute truth. The latter is an innovative variable, defined and presented in this research. The first two studies aimed to validate a new measure that acts as an operational definition of the need for absolute truth. The first study was conducted with two group of participants; the first group consisted of 129 females and 67 males, mean age = 20 years, and the second 182 females and 104 males, mean age = 27. In the second study, participants were 22 females and 18 males, mean age = 20.5. In the final study, conducted with 296 female, 163 male participants (mean age = 37), suppressor effects were tested using structural equation modeling. The results showed that by taking account of these two suppressor variables, particularly the need for absolute truth, the expected relationship between self-reflection and mental health was revealed. The need for absolute truth was shown to be crucial for understanding the effects of self-reflection on mental health, therefore it should be considered in all processes of psychotherapy.

Reduced concentrations of N-acetylaspartate (NAA) and the NAA-creatine ratio in the basal ganglia in bipolar disorder: a study using 3-Tesla proton magnetic resonance spectroscopy.

PubMed

Frye, Mark A; Thomas, M Albert; Yue, Kenneth; Binesh, Nader; Davanzo, Pablo; Ventura, Joseph; O'Neill, Joseph; Guze, Barry; Curran, John G; Mintz, Jim

2007-04-15

The N-acetylaspartate (NAA) peak is prominent in the proton magnetic resonance spectrum and is thought to reflect neuron loss or dysfunction. This study was conducted to explore NAA biochemistry and its clinical correlates in mania. Subjects comprised 16 manic patients and 17 controls who underwent a structured diagnostic interview and (1)H magnetic resonance spectroscopy (MRS) acquisition. STEAM (1)H MRS (TR/TE/TM=2000/20/8 ms) was acquired at 3 Tesla from 2 x 2 x 2 cm(3) voxels in anterior cingulate (AC), right basal ganglia (BG), and left occipital-parietal white matter (OP). Absolute metabolite concentrations and ratios to creatine were calculated using the LC Model. The mean absolute concentrations of NAA and NAA-creatine ratio in the BG were significantly lower in manic subjects than in controls. There was a significant inverse correlation between NAA in the BG and the number of prior hospitalizations for mania. These data suggest BG pathology in mania and that NAA decrements may mark prior manic episode burden. Limitations of this study include small sample size and lack of tissue segmentation. Further study is encouraged to clarify state vs. trait aspects of NAA in bipolar disorder.

Traumatic brain injury: future assessment tools and treatment prospects

PubMed Central

Flanagan, Steven R; Cantor, Joshua B; Ashman, Teresa A

2008-01-01

Traumatic brain injury (TBI) is widespread and leads to death and disability in millions of individuals around the world each year. Overall incidence and prevalence of TBI are likely to increase in absolute terms in the future. Tackling the problem of treating TBI successfully will require improvements in the understanding of normal cerebral anatomy, physiology, and function throughout the lifespan, as well as the pathological and recuperative responses that result from trauma. New treatment approaches and combinations will need to be targeted to the heterogeneous needs of TBI populations. This article explores and evaluates the research evidence in areas that will likely lead to a reduction in TBI-related morbidity and improved outcomes. These include emerging assessment instruments and techniques in areas of structural/chemical and functional neuroimaging and neuropsychology, advances in the realms of cell-based therapies and genetics, promising cognitive rehabilitation techniques including cognitive remediation and the use of electronic technologies including assistive devices and virtual reality, and the emerging field of complementary and alternative medicine. PMID:19183780

A Probabilistic Design Method Applied to Smart Composite Structures

NASA Technical Reports Server (NTRS)

Shiao, Michael C.; Chamis, Christos C.

1995-01-01

A probabilistic design method is described and demonstrated using a smart composite wing. Probabilistic structural design incorporates naturally occurring uncertainties including those in constituent (fiber/matrix) material properties, fabrication variables, structure geometry and control-related parameters. Probabilistic sensitivity factors are computed to identify those parameters that have a great influence on a specific structural reliability. Two performance criteria are used to demonstrate this design methodology. The first criterion requires that the actuated angle at the wing tip be bounded by upper and lower limits at a specified reliability. The second criterion requires that the probability of ply damage due to random impact load be smaller than an assigned value. When the relationship between reliability improvement and the sensitivity factors is assessed, the results show that a reduction in the scatter of the random variable with the largest sensitivity factor (absolute value) provides the lowest failure probability. An increase in the mean of the random variable with a negative sensitivity factor will reduce the failure probability. Therefore, the design can be improved by controlling or selecting distribution parameters associated with random variables. This can be implemented during the manufacturing process to obtain maximum benefit with minimum alterations.

Cell wall-bound silicon optimizes ammonium uptake and metabolism in rice cells.

PubMed

Sheng, Huachun; Ma, Jie; Pu, Junbao; Wang, Lijun

2018-05-16

Turgor-driven plant cell growth depends on cell wall structure and mechanics. Strengthening of cell walls on the basis of an association and interaction with silicon (Si) could lead to improved nutrient uptake and optimized growth and metabolism in rice (Oryza sativa). However, the structural basis and physiological mechanisms of nutrient uptake and metabolism optimization under Si assistance remain obscure. Single-cell level biophysical measurements, including in situ non-invasive micro-testing (NMT) of NH4+ ion fluxes, atomic force microscopy (AFM) of cell walls, and electrolyte leakage and membrane potential, as well as whole-cell proteomics using isobaric tags for relative and absolute quantification (iTRAQ), were performed. The altered cell wall structure increases the uptake rate of the main nutrient NH4+ in Si-accumulating cells, whereas the rate is only half in Si-deprived counterparts. Rigid cell walls enhanced by a wall-bound form of Si as the structural basis stabilize cell membranes. This, in turn, optimizes nutrient uptake of the cells in the same growth phase without any requirement for up-regulation of transmembrane ammonium transporters. Optimization of cellular nutrient acquisition strategies can substantially improve performance in terms of growth, metabolism and stress resistance.

Asymmetry at the molecular level in biology

NASA Astrophysics Data System (ADS)

Johnson, Louise N.

2005-10-01

Naturally occurring biological molecules are made of homochiral building blocks. Proteins are composed of L-amino acids (and not D-amino acids); nucleic acids such as DNA have D-ribose sugars (and not L-ribose sugars). It is not clear why nature selected a particular chirality. Selection could have occurred by chance or as a consequence of basic physical chemistry. Possible proposals, including the contribution of the parity violating the weak nuclear force, are discussed together with the mechanisms by which this very small contribution might be amplified. Homochirality of the amino acids has consequences for protein structure. Helices are right handed and beta sheets have a left-hand twist. When incorporated into the tertiary structure of a protein these chiralities limit the topologies of connections between helices and sheets. Polypeptides comprised of D-amino acids can be synthesized chemically and have been shown to adopt stable structures that are the mirror image of the naturally occurring L-amino acid polypeptides. Chirality is important in drug design. Three examples are discussed: penicillin; the CD4 antagonistic peptides; and thalidomide. The absolute hand of a biological structure can only be established by X-ray crystallographic methods using the technique of anomalous scattering.

A new meroterpenoid, chrodrimanin C, from YO-2 of Talaromyces sp.

PubMed

Hayashi, Hideo; Oka, Yuki; Kai, Kenji; Akiyama, Kohki

2012-01-01

The new meroterpenoid, chrodrimanin C (3), together with chrodrimanins A (2) and B (1) were isolated from okara (the insoluble residue of whole soybean) that had been fermented with strain YO-2 of Talaromyces sp. Their structures were elucidated by spectroscopic methods. The partial structures of 1 essential for exhibiting insecticidal activity were investigated by using a silkworm assay. The absolute configuration of 1 was also determined.

Resistance Predictions for a High-Speed Sealift Trimaran

DTIC Science & Technology

2007-10-01

layout and operability, rather than de- sults for both the absolute value and the relative tails of resistance and structural strength. The pre- change...interferences between the circumstances, the sidehulls may be referred to as sidehulls and the centerhull, which can create an outriggers , adverse effect (that...uration 4 and Configuration 5; as a result, an exces- .. sive amount of spray impacted on the bridging cross structure connecting the three subhulls

(+)- and (-)-Pestaloxazine A, a Pair of Antiviral Enantiomeric Alkaloid Dimers with a Symmetric Spiro[oxazinane-piperazinedione] Skeleton from Pestalotiopsis sp.

PubMed

Jia, Yan-Lai; Wei, Mei-Yan; Chen, Hai-Yan; Guan, Fei-Fei; Wang, Chang-Yun; Shao, Chang-Lun

2015-09-04

A pair of new enantiomeric alkaloid dimers, (+)- and (-)-pestaloxazine A (1), with an unprecedented symmetric spiro[oxazinane-piperazinedione] skeleton, consisting of 22 carbons and 12 heteroatoms, were isolated from a Pestalotiopsis sp. fungus derived from a soft coral. Separation of the enantiomeric alkaloid dimers was achieved by chiral HPLC. Their structures including absolute configurations were elucidated on the basis of a comprehensive analysis of their spectroscopic and X-ray diffraction data and CD calculations. (+)-Pestaloxazine A exhibited potent antiviral activity against EV71 with an IC50 value of 14.2 ± 1.3 μM, which was stronger than that of the positive control ribavirin (IC50 = 256.1 ± 15.1 μM).

Psychometric properties of the Swedish version of the Self-Transcendence Scale among very old people.

PubMed

Lundman, Berit; Årestedt, Kristofer; Norberg, Astrid; Norberg, Catharina; Fischer, Regina Santamäki; Lövheim, Hugo

2015-01-01

This study tested the psychometric properties of a Swedish version of the Self-Transcendence Scale (STS). Cohen's weighted kappa, agreement, absolute reliability, relative reliability, and internal consistency were calculated, and the underlying structure of the STS was established by exploratory factor analysis. There were 2 samples available: 1 including 194 people aged 85-103 years and a convenience sample of 60 people aged 21-69 years. Weighted kappa values ranged from .40 to .89. The intraclass correlation coefficient for the original STS was .763, and the least significant change between repeated tests was 6.25 points. The revised STS was found to have satisfactory psychometric properties, and 2 of the 4 underlying dimensions in Reed's self-transcendence theory were supported.

Theoretical study on complexation of the perchlorate, permanganate, pertechnate and perrhenate anions with dodecabenzylbambus[6]uril

NASA Astrophysics Data System (ADS)

Böhm, Stanislav; Makrlík, Emanuel; Vaňura, Petr

2017-07-01

By using quantum chemical calculations, the most probable structures of the anionic complex species dodecabenzylbambus[6]uril-ClO4-, dodecabenzylbambus[6]uril-MnO4-, dodecabenzylbambus[6]uril-TcO4- and dodecabenzylbambus[6]uril-ReO4- were derived. In these four complexes, each of the considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion. Further, the corresponding interaction energies of the investigated four anionic complexes were calculated; the absolute values of these calculated energies increase in the series of ReO4- < TcO4- < MnO4- < ClO4-.

Rendezvous Integration Complexities of NASA Human Flight Vehicles

NASA Technical Reports Server (NTRS)

Brazzel, Jack P.; Goodman, John L.

2009-01-01

Propellant-optimal trajectories, relative sensors and navigation, and docking/capture mechanisms are rendezvous disciplines that receive much attention in the technical literature. However, other areas must be considered. These include absolute navigation, maneuver targeting, attitude control, power generation, software development and verification, redundancy management, thermal control, avionics integration, robotics, communications, lighting, human factors, crew timeline, procedure development, orbital debris risk mitigation, structures, plume impingement, logistics, and in some cases extravehicular activity. While current and future spaceflight programs will introduce new technologies and operations concepts, the complexity of integrating multiple systems on multiple spacecraft will remain. The systems integration task may become more difficult as increasingly complex software is used to meet current and future automation, autonomy, and robotic operation requirements.

An adaptive Bayesian inversion for upper-mantle structure using surface waves and scattered body waves

NASA Astrophysics Data System (ADS)

Eilon, Zachary; Fischer, Karen M.; Dalton, Colleen A.

2018-07-01

We present a methodology for 1-D imaging of upper-mantle structure using a Bayesian approach that incorporates a novel combination of seismic data types and an adaptive parametrization based on piecewise discontinuous splines. Our inversion algorithm lays the groundwork for improved seismic velocity models of the lithosphere and asthenosphere by harnessing the recent expansion of large seismic arrays and computational power alongside sophisticated data analysis. Careful processing of P- and S-wave arrivals isolates converted phases generated at velocity gradients between the mid-crust and 300 km depth. This data is allied with ambient noise and earthquake Rayleigh wave phase velocities to obtain detailed VS and VP velocity models. Synthetic tests demonstrate that converted phases are necessary to accurately constrain velocity gradients, and S-p phases are particularly important for resolving mantle structure, while surface waves are necessary for capturing absolute velocities. We apply the method to several stations in the northwest and north-central United States, finding that the imaged structure improves upon existing models by sharpening the vertical resolution of absolute velocity profiles, offering robust uncertainty estimates, and revealing mid-lithospheric velocity gradients indicative of thermochemical cratonic layering. This flexible method holds promise for increasingly detailed understanding of the upper mantle.

Effects of Ambient Temperature and Relative Humidity on Subsurface Defect Detection in Concrete Structures by Active Thermal Imaging.

PubMed

Tran, Quang Huy; Han, Dongyeob; Kang, Choonghyun; Haldar, Achintya; Huh, Jungwon

2017-07-26

Active thermal imaging is an effective nondestructive technique in the structural health monitoring field, especially for concrete structures not exposed directly to the sun. However, the impact of meteorological factors on the testing results is considerable and should be studied in detail. In this study, the impulse thermography technique with halogen lamps heat sources is used to detect defects in concrete structural components that are not exposed directly to sunlight and not significantly affected by the wind, such as interior bridge box-girders and buildings. To consider the effect of environment, ambient temperature and relative humidity, these factors are investigated in twelve cases of testing on a concrete slab in the laboratory, to minimize the influence of wind. The results showed that the absolute contrast between the defective and sound areas becomes more apparent with an increase of ambient temperature, and it increases at a faster rate with large and shallow delaminations than small and deep delaminations. In addition, the absolute contrast of delamination near the surface might be greater under a highly humid atmosphere. This study indicated that the results obtained from the active thermography technique will be more apparent if the inspection is conducted on a day with high ambient temperature and humidity.

An adaptive Bayesian inversion for upper mantle structure using surface waves and scattered body waves

NASA Astrophysics Data System (ADS)

Eilon, Zachary; Fischer, Karen M.; Dalton, Colleen A.

2018-04-01

We present a methodology for 1-D imaging of upper mantle structure using a Bayesian approach that incorporates a novel combination of seismic data types and an adaptive parameterisation based on piecewise discontinuous splines. Our inversion algorithm lays the groundwork for improved seismic velocity models of the lithosphere and asthenosphere by harnessing the recent expansion of large seismic arrays and computational power alongside sophisticated data analysis. Careful processing of P- and S-wave arrivals isolates converted phases generated at velocity gradients between the mid-crust and 300 km depth. This data is allied with ambient noise and earthquake Rayleigh wave phase velocities to obtain detailed VS and VP velocity models. Synthetic tests demonstrate that converted phases are necessary to accurately constrain velocity gradients, and S-p phases are particularly important for resolving mantle structure, while surface waves are necessary for capturing absolute velocities. We apply the method to several stations in the northwest and north-central United States, finding that the imaged structure improves upon existing models by sharpening the vertical resolution of absolute velocity profiles, offering robust uncertainty estimates, and revealing mid-lithospheric velocity gradients indicative of thermochemical cratonic layering. This flexible method holds promise for increasingly detailed understanding of the upper mantle.

Rapidly-Indexing Incremental-Angle Encoder

NASA Technical Reports Server (NTRS)

Christon, Philip R.; Meyer, Wallace W.

1989-01-01

Optoelectronic system measures relative angular position of shaft or other device to be turned, also measures absolute angular position after device turned through small angle. Relative angular position measured with fine resolution by optoelectronically counting finely- and uniformly-spaced light and dark areas on encoder disk as disk turns past position-sensing device. Also includes track containing coarsely- and nonuniformly-spaced light and dark areas, angular widths varying in proportion to absolute angular position. This second track provides gating and indexing signal.

Energy Monitoring and Control Systems Inspection Guidelines.

DTIC Science & Technology

1982-12-01

When the pressure port is exposed to atmosphere, the transducer will indicate zero PSIG. An absolute pressure transducer measures pressure referenced...Environment. dbm: A measure of absolute power values. Zero dbm equals one milliwatt. Data Transmission Transmission equipment including cables and Media (DTM...the four listed, type "K" is the most linear of the T/C’s and type "E" has the highest voltage per degree farenheit . Some advantages of thermo- couples

A Grazing Incidence Spectrograph as Applied to Vacuum Ultraviolet, Soft X-Ray, Pulsed Plasma Sources.

DTIC Science & Technology

A 2.2-meter variable angle of incidence grazing incidence spectrograph is described for photographic recording of spectra down to 10A. Also a method for determining the absolute total fluence from a pulsed plasma source, knowing the absolute sensitivity of the instrument, is described. Spectra are presented from a low-inductance sliding spark gap and a 20-kj dense plasma focus . A program for spectram analysis is included. (Modified author abstract)

Statistical universals reveal the structures and functions of human music.

PubMed

Savage, Patrick E; Brown, Steven; Sakai, Emi; Currie, Thomas E

2015-07-21

Music has been called "the universal language of mankind." Although contemporary theories of music evolution often invoke various musical universals, the existence of such universals has been disputed for decades and has never been empirically demonstrated. Here we combine a music-classification scheme with statistical analyses, including phylogenetic comparative methods, to examine a well-sampled global set of 304 music recordings. Our analyses reveal no absolute universals but strong support for many statistical universals that are consistent across all nine geographic regions sampled. These universals include 18 musical features that are common individually as well as a network of 10 features that are commonly associated with one another. They span not only features related to pitch and rhythm that are often cited as putative universals but also rarely cited domains including performance style and social context. These cross-cultural structural regularities of human music may relate to roles in facilitating group coordination and cohesion, as exemplified by the universal tendency to sing, play percussion instruments, and dance to simple, repetitive music in groups. Our findings highlight the need for scientists studying music evolution to expand the range of musical cultures and musical features under consideration. The statistical universals we identified represent important candidates for future investigation.

Statistical universals reveal the structures and functions of human music

PubMed Central

Savage, Patrick E.; Brown, Steven; Sakai, Emi; Currie, Thomas E.

2015-01-01

Music has been called “the universal language of mankind.” Although contemporary theories of music evolution often invoke various musical universals, the existence of such universals has been disputed for decades and has never been empirically demonstrated. Here we combine a music-classification scheme with statistical analyses, including phylogenetic comparative methods, to examine a well-sampled global set of 304 music recordings. Our analyses reveal no absolute universals but strong support for many statistical universals that are consistent across all nine geographic regions sampled. These universals include 18 musical features that are common individually as well as a network of 10 features that are commonly associated with one another. They span not only features related to pitch and rhythm that are often cited as putative universals but also rarely cited domains including performance style and social context. These cross-cultural structural regularities of human music may relate to roles in facilitating group coordination and cohesion, as exemplified by the universal tendency to sing, play percussion instruments, and dance to simple, repetitive music in groups. Our findings highlight the need for scientists studying music evolution to expand the range of musical cultures and musical features under consideration. The statistical universals we identified represent important candidates for future investigation. PMID:26124105

Fatigue behavior of porous biomaterials manufactured using selective laser melting.

PubMed

Yavari, S Amin; Wauthle, R; van der Stok, J; Riemslag, A C; Janssen, M; Mulier, M; Kruth, J P; Schrooten, J; Weinans, H; Zadpoor, A A

2013-12-01

Porous titanium alloys are considered promising bone-mimicking biomaterials. Additive manufacturing techniques such as selective laser melting allow for manufacturing of porous titanium structures with a precise design of micro-architecture. The mechanical properties of selective laser melted porous titanium alloys with different designs of micro-architecture have been already studied and are shown to be in the range of mechanical properties of bone. However, the fatigue behavior of this biomaterial is not yet well understood. We studied the fatigue behavior of porous structures made of Ti6Al4V ELI powder using selective laser melting. Four different porous structures were manufactured with porosities between 68 and 84% and the fatigue S-N curves of these four porous structures were determined. The three-stage mechanism of fatigue failure of these porous structures is described and studied in detail. It was found that the absolute S-N curves of these four porous structures are very different. In general, given the same absolute stress level, the fatigue life is much shorter for more porous structures. However, the normalized fatigue S-N curves of these four structures were found to be very similar. A power law was fitted to all data points of the normalized S-N curves. It is shown that the measured data points conform to the fitted power law very well, R(2)=0.94. This power law may therefore help in estimating the fatigue life of porous structures for which no fatigue test data is available. It is also observed that the normalized endurance limit of all tested porous structures (<0.2) is lower than that of corresponding solid material (c.a. 0.4). © 2013.

Trends in educational inequalities in cause specific mortality in Norway from 1960 to 2010: a turning point for educational inequalities in cause specific mortality of Norwegian men after the millennium?

PubMed

Strand, Bjørn Heine; Steingrímsdóttir, Ólöf Anna; Grøholt, Else-Karin; Ariansen, Inger; Graff-Iversen, Sidsel; Næss, Øyvind

2014-11-24

Educational inequalities in total mortality in Norway have widened during 1960-2000. We wanted to investigate if inequalities have continued to increase in the post millennium decade, and which causes of deaths were the main drivers. All deaths (total and cause specific) in the adult Norwegian population aged 45-74 years over five decades, until 2010 were included; in all 708,449 deaths and over 62 million person years. Two indices of inequalities were used to measure inequality and changes in inequalities over time, on the relative scale (Relative Index of Inequality, RII) and on the absolute scale (Slope Index of Inequality, SII). Relative inequalities in total mortality increased over the five decades in both genders. Among men absolute inequalities stabilized during 2000-2010, after steady, significant increases each decade back to the 1960s, while in women, absolute inequalities continued to increase significantly during the last decade. The stabilization in absolute inequalities among men in the last decade was mostly due to a fall in inequalities in cardiovascular disease (CVD) mortality and lung cancer and respiratory disease mortality. Still, in this last decade, the absolute inequalities in cause-specific mortality among men were mostly due to cardiovascular diseases (CVD) (34% of total mortality inequality), lung cancer and respiratory diseases (21%). Among women the absolute inequalities in mortality were mostly due to lung cancer and chronic lower respiratory tract diseases (30%) and CVD (27%). In men, absolute inequalities in mortality have stopped increasing, seemingly due to reduction in inequalities in CVD mortality. Absolute inequality in mortality continues to widen among women, mostly due to death from lung cancer and chronic lung disease. Relative educational inequalities in mortality are still on the rise for Norwegian men and women.

The gender- and age-specific 10-year and lifetime absolute fracture risk in Tromsø, Norway.

PubMed

Ahmed, Luai A; Schirmer, Henrik; Bjørnerem, Ashild; Emaus, Nina; Jørgensen, Lone; Størmer, Jan; Joakimsen, Ragnar M

2009-01-01

Aim of this study is to estimate the gender- and age-specific 10-year and lifetime absolute risks of non-vertebral and osteoporotic (included hip, distal forearm and proximal humerus) fractures in a large cohort of men and women. This is a population-based 10 years follow-up study of 26,891 subjects aged 25 years and older in Tromsø, Norway. All non-vertebral fractures were registered from 1995 throughout 2004 by computerized search in radiographic archives. Absolute risks were estimated by life-table method taking into account the competing risk of death. The absolute fracture risk at each year of age was estimated for the next 10 years (10-year risk) or up to the age of 90 years (lifetime risk). The estimated 10-year absolute risk of all non-vertebral fracture was higher in men than women before but not after the age of 45 years. The 10-year absolute risk for non-vertebral and osteoporotic fractures was over 10%, respectively, in men over 65 and 70 years and in women over 45 and 50 years of age. The 10-year absolute risks of hip fractures at the age of 65 and 80 years were 4.2 and 18.6% in men, and 9.0 and 24.0% in women, respectively. The risk estimates for distal forearm and proximal humerus fractures were under 5% in men and 13% in women. The estimated lifetime risks for all fracture locations were higher in women than men at all ages. At the age of 50 years, the risks were 38.1 and 24.8% in men and 67.4 and 55.0% in women for all non-vertebral and osteoporotic fractures, respectively. The estimated gender- and age-specific 10-year and lifetime absolute fracture risk were higher in Tromsø than in other populations. The high lifetime fracture risk reflects the increased burden of fractures in this cohort.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, X.; Senftleben, A.; Pflueger, T.

Absolutely normalized (e,2e) measurements for H{sub 2} and He covering the full solid angle of one ejected electron are presented for 16 eV sum energy of both final state continuum electrons. For both targets rich cross-section structures in addition to the binary and recoil lobes are identified and studied as a function of the fixed electron's emission angle and the energy sharing among both electrons. For H{sub 2} their behavior is consistent with multiple scattering of the projectile as discussed before [Al-Hagan et al., Nature Phys. 5, 59 (2009)]. For He the binary and recoil lobes are significantly larger thanmore » for H{sub 2} and partly cover the multiple scattering structures. To highlight these patterns we propose a alternative representation of the triply differential cross section. Nonperturbative calculations are in good agreement with the He results and show discrepancies for H{sub 2} in the recoil peak region. For H{sub 2} a perturbative approach reasonably reproduces the cross-section shape but deviates in absolute magnitude.« less

Vermistatin derivatives with α-glucosidase inhibitory activity from the mangrove endophytic fungus Penicillium sp. HN29-3B1.

PubMed

Liu, Yayue; Xia, Guoping; Li, Hanxiang; Ma, Lin; Ding, Bo; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang

2014-07-01

Three new vermistatin derivatives, 6-demethylpenisimplicissin (1), 5'-hydroxypenisimplicissin (2), and 2''-epihydroxydihydrovermistatin (3), along with five known vermistatin analogues, methoxyvermistatin (4), vermistatin (5), 6-demethylvermistatin (6), hydroxyvermistatin (7), and penisimplicissin (8), were isolated from the culture of the mangrove endophytic fungus Penicillium sp. HN29-3B1 from Cerbera manghas. Their structures were elucidated mainly by nuclear magnetic resonance spectroscopy. The absolute configurations of compounds 1 and 2 were deduced on the basis of circular dichroism data. The absolute structures of compounds 3 and 5 were confirmed by a single-crystal X-ray diffraction experiment using Cu Kα radiation. In the bioactivity assay, compounds 1 and 3 exhibited α-glucosidase inhibitory activity with IC50 values of 9.5 ± 1.2 and 8.0 ± 1.5 µM, respectively. The plausible biosynthetic pathways for all compounds are discussed. Georg Thieme Verlag KG Stuttgart · New York.

Scanning micro-resonator direct-comb absolute spectroscopy

PubMed Central

Gambetta, Alessio; Cassinerio, Marco; Gatti, Davide; Laporta, Paolo; Galzerano, Gianluca

2016-01-01

Direct optical Frequency Comb Spectroscopy (DFCS) is proving to be a fundamental tool in many areas of science and technology thanks to its unique performance in terms of ultra-broadband, high-speed detection and frequency accuracy, allowing for high-fidelity mapping of atomic and molecular energy structure. Here we present a novel DFCS approach based on a scanning Fabry-Pérot micro-cavity resonator (SMART) providing a simple, compact and accurate method to resolve the mode structure of an optical frequency comb. The SMART approach, while drastically reducing system complexity, allows for a straightforward absolute calibration of the optical-frequency axis with an ultimate resolution limited by the micro-resonator resonance linewidth and can be used in any spectral region from UV to THz. We present an application to high-precision spectroscopy of acetylene at 1.54 μm, demonstrating performances comparable or even better than current state-of-the-art DFCS systems in terms of sensitivity, optical bandwidth and frequency-resolution. PMID:27752132

On the relationship between wave based control, absolute vibration suppression and input shaping

NASA Astrophysics Data System (ADS)

Peled, I.; O'Connor, W. J.; Halevi, Y.

2013-08-01

The modeling and control of continuous flexible structures is one of the most challenging problems in control theory. This topic gains more interest with the development of slender space structures, light weight aeronautical components or even traditional gears and drive shafts with flexible properties. Several control schemes are based on the traveling wave approach, rather than the more common modal methods. In this work we investigate the relationships between two of these methods. The Absolute Vibration Suppression (AVS) controller, which was developed for infinite dimension systems, is compared to Wave Based Control (WBC) which was designed primarily for lumped systems. The WBC was first adjusted to continuous systems and then the two controllers, whose algorithms seem different, are compared. The investigation shows that for the flexible shaft these two control laws are actually the same. Furthermore, when converted into an equivalent open loop controller they appear as an extension to continuous systems of the Input Shaping (IS) methodology.

New design and facilities for the International Database for Absolute Gravity Measurements (AGrav): A support for the Establishment of a new Global Absolute Gravity Reference System

NASA Astrophysics Data System (ADS)

Wziontek, Hartmut; Falk, Reinhard; Bonvalot, Sylvain; Rülke, Axel

2017-04-01

After about 10 years of successful joint operation by BGI and BKG, the International Database for Absolute Gravity Measurements "AGrav" (see references hereafter) was under a major revision. The outdated web interface was replaced by a responsive, high level web application framework based on Python and built on top of Pyramid. Functionality was added, like interactive time series plots or a report generator and the interactive map-based station overview was updated completely, comprising now clustering and the classification of stations. Furthermore, the database backend was migrated to PostgreSQL for better support of the application framework and long-term availability. As comparisons of absolute gravimeters (AG) become essential to realize a precise and uniform gravity standard, the database was extended to document the results on international and regional level, including those performed at monitoring stations equipped with SGs. By this it will be possible to link different AGs and to trace their equivalence back to the key comparisons under the auspices of International Committee for Weights and Measures (CIPM) as the best metrological realization of the absolute gravity standard. In this way the new AGrav database accommodates the demands of the new Global Absolute Gravity Reference System as recommended by the IAG Resolution No. 2 adopted in Prague 2015. The new database will be presented with focus on the new user interface and new functionality, calling all institutions involved in absolute gravimetry to participate and contribute with their information to built up a most complete picture of high precision absolute gravimetry and improve its visibility. A Digital Object Identifier (DOI) will be provided by BGI to contributors to give a better traceability and facilitate the referencing of their gravity surveys. Links and references: BGI mirror site : http://bgi.obs-mip.fr/data-products/Gravity-Databases/Absolute-Gravity-data/ BKG mirror site: http://agrav.bkg.bund.de/agrav-meta/ Wilmes, H., H. Wziontek, R. Falk, S. Bonvalot (2009). AGrav - the New Absolute Gravity Database and a Proposed Cooperation with the GGP Project. J. of Geodynamics, 48, pp. 305-309. doi:10.1016/j.jog.2009.09.035. Wziontek, H., H. Wilmes, S. Bonvalot (2011). AGrav: An international database for absolute gravity measurements. In Geodesy for Planet Earth (S. Kenyon at al. eds). IAG Symposia, 136, 1035-1040, Springer, Berlin. 2011. doi:10.1007/978-3-642-20338-1_130.

Measuring the absolute deuterium-tritium neutron yield using the magnetic recoil spectrometer at OMEGA and the NIF.

PubMed

Casey, D T; Frenje, J A; Gatu Johnson, M; Séguin, F H; Li, C K; Petrasso, R D; Glebov, V Yu; Katz, J; Knauer, J P; Meyerhofer, D D; Sangster, T C; Bionta, R M; Bleuel, D L; Döppner, T; Glenzer, S; Hartouni, E; Hatchett, S P; Le Pape, S; Ma, T; MacKinnon, A; McKernan, M A; Moran, M; Moses, E; Park, H-S; Ralph, J; Remington, B A; Smalyuk, V; Yeamans, C B; Kline, J; Kyrala, G; Chandler, G A; Leeper, R J; Ruiz, C L; Cooper, G W; Nelson, A J; Fletcher, K; Kilkenny, J; Farrell, M; Jasion, D; Paguio, R

2012-10-01

A magnetic recoil spectrometer (MRS) has been installed and extensively used on OMEGA and the National Ignition Facility (NIF) for measurements of the absolute neutron spectrum from inertial confinement fusion implosions. From the neutron spectrum measured with the MRS, many critical implosion parameters are determined including the primary DT neutron yield, the ion temperature, and the down-scattered neutron yield. As the MRS detection efficiency is determined from first principles, the absolute DT neutron yield is obtained without cross-calibration to other techniques. The MRS primary DT neutron measurements at OMEGA and the NIF are shown to be in excellent agreement with previously established yield diagnostics on OMEGA, and with the newly commissioned nuclear activation diagnostics on the NIF.

A Single Chiroptical Spectroscopic Method May Not Be Able To Establish the Absolute Configurations of Diastereomers: Dimethylesters of Hibiscus and Garcinia Acids

PubMed Central

Polavarapu, Prasad L.; Donahue, Emily A.; Shanmugam, Ganesh; Scalmani, Giovanni; Hawkins, Edward K.; Rizzo, Carmelo; Ibnusaud, Ibrahim; Thomas, Grace; Habel, Deenamma; Sebastian, Dellamol

2013-01-01

Electronic circular dichroism (ECD), optical rotatory dispersion (ORD), and vibrational circular dichroism (VCD) spectra of hibiscus acid dimethyl ester have been measured and analyzed in combination with quantum chemical calculations of corresponding spectra. These results, along with those reported previously for garcinia acid dimethyl ester, reveal that none of these three (ECD, ORD, or VCD) spectroscopic methods, in isolation, can unequivocally establish the absolute configurations of diastereomers. This deficiency is eliminated when a combined spectral analysis of either ECD and VCD or ORD and VCD methods is used. It is also found that the ambiguities in the assignment of absolute configurations of diastereomers may also be overcome when unpolarized vibrational absorption is included in the spectral analysis. PMID:21568330

Ducks in space: from nonlinear absolute instability to noise-sustained structures in a pattern-forming system

NASA Astrophysics Data System (ADS)

Avitabile, D.; Desroches, M.; Knobloch, E.; Krupa, M.

2017-11-01

A subcritical pattern-forming system with nonlinear advection in a bounded domain is recast as a slow-fast system in space and studied using a combination of geometric singular perturbation theory and numerical continuation. Two types of solutions describing the possible location of stationary fronts are identified, whose origin is traced to the onset of convective and absolute instability when the system is unbounded. The former are present only for non-zero upstream boundary conditions and provide a quantitative understanding of noise-sustained structures in systems of this type. The latter correspond to the onset of a global mode and are present even with zero upstream boundary conditions. The role of canard trajectories in the nonlinear transition between these states is clarified and the stability properties of the resulting spatial structures are determined. Front location in the convective regime is highly sensitive to the upstream boundary condition, and its dependence on this boundary condition is studied using a combination of numerical continuation and Monte Carlo simulations of the partial differential equation. Statistical properties of the system subjected to random or stochastic boundary conditions at the inlet are interpreted using the deterministic slow-fast spatial dynamical system.

[Continuity and discontinuity of the geomerida: the bionomic and biotic aspects].

PubMed

Kafanov, A I

2005-01-01

The view of the spatial structure of the geomerida (Earth's life cover) as a continuum that prevails in modern phytocoenology is mostly determined by a physiognomic (landscape-bionomic) discrimination of vegetation components. In this connection, geography of life forms appears as subject of the landscapebionomic biogeography. In zoocoenology there is a tendency of synthesis of alternative concepts based on the assumption that there are no absolute continuum and absolute discontinuum in the organic nature. The problem of continuum and discontinuum of living cover being problem of scale aries from fractal structure of geomerida. This problem arises from fractal nature of the spatial structure of geomerida. The continuum mainly belongs to regularities of topological order. At regional and subregional scale the continuum of biochores is rather rare. The objective evidences of relative discontinuity of the living cover are determined by significant alterations of species diversity at the regional, subregional and even topological scale Alternatively to conventionally discriminated units in physionomically continuous vegetation, the same biotic complexes, represented as operational units of biogeographical and biocenological zoning, are distinguished repeatedly and independently by different researchers. An area occupied by certain flora (fauna, biota) could be considered as elementary unit of biotic diversity (elementary biotic complex).

Ducks in space: from nonlinear absolute instability to noise-sustained structures in a pattern-forming system.

PubMed

Avitabile, D; Desroches, M; Knobloch, E; Krupa, M

2017-11-01

A subcritical pattern-forming system with nonlinear advection in a bounded domain is recast as a slow-fast system in space and studied using a combination of geometric singular perturbation theory and numerical continuation. Two types of solutions describing the possible location of stationary fronts are identified, whose origin is traced to the onset of convective and absolute instability when the system is unbounded. The former are present only for non-zero upstream boundary conditions and provide a quantitative understanding of noise-sustained structures in systems of this type. The latter correspond to the onset of a global mode and are present even with zero upstream boundary conditions. The role of canard trajectories in the nonlinear transition between these states is clarified and the stability properties of the resulting spatial structures are determined. Front location in the convective regime is highly sensitive to the upstream boundary condition, and its dependence on this boundary condition is studied using a combination of numerical continuation and Monte Carlo simulations of the partial differential equation. Statistical properties of the system subjected to random or stochastic boundary conditions at the inlet are interpreted using the deterministic slow-fast spatial dynamical system.

Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo

DOE PAGES

Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R. C.; ...

2016-05-03

We have applied the diffusion quantum Monte Carlo (DMC) method to calculate the cohesive energy and the structural parameters of the binary oxides CaO, SrO, BaO, Sc 2O 3, Y 2O 3 and La 2O 3. The aim of our calculations is to systematically quantify the accuracy of the DMC method to study this type of metal oxides. The DMC results were compared with local and semi-local Density Functional Theory (DFT) approximations as well as with experimental measurements. The DMC method yields cohesive energies for these oxides with a mean absolute deviation from experimental measurements of 0.18(2) eV, while withmore » local and semi-local DFT approximations the deviation is 3.06 and 0.94 eV, respectively. For lattice constants, the mean absolute deviation in DMC, local and semi-local DFT approximations, are 0.017(1), 0.07 and 0.05 , respectively. In conclusion, DMC is highly accurate method, outperforming the local and semi-local DFT approximations in describing the cohesive energies and structural parameters of these binary oxides.« less

Ultrahigh-resolution mapping of peatland microform using ground-based structure from motion with multiview stereo

NASA Astrophysics Data System (ADS)

Mercer, Jason J.; Westbrook, Cherie J.

2016-11-01

Microform is important in understanding wetland functions and processes. But collecting imagery of and mapping the physical structure of peatlands is often expensive and requires specialized equipment. We assessed the utility of coupling computer vision-based structure from motion with multiview stereo photogrammetry (SfM-MVS) and ground-based photos to map peatland topography. The SfM-MVS technique was tested on an alpine peatland in Banff National Park, Canada, and guidance was provided on minimizing errors. We found that coupling SfM-MVS with ground-based photos taken with a point and shoot camera is a viable and competitive technique for generating ultrahigh-resolution elevations (i.e., <0.01 m, mean absolute error of 0.083 m). In evaluating 100+ viable SfM-MVS data collection and processing scenarios, vegetation was found to considerably influence accuracy. Vegetation class, when accounted for, reduced absolute error by as much as 50%. The logistic flexibility of ground-based SfM-MVS paired with its high resolution, low error, and low cost makes it a research area worth developing as well as a useful addition to the wetland scientists' toolkit.

How Deep is Shallow? Improving Absolute and Relative Locations of Upper Crustal Seismicity in Switzerland

NASA Astrophysics Data System (ADS)

Diehl, T.; Kissling, E. H.; Singer, J.; Lee, T.; Clinton, J. F.; Waldhauser, F.; Wiemer, S.

2017-12-01

Information on the structure of upper-crustal fault systems and their connection with seismicity is key to the understanding of neotectonic processes. Precisely determined focal depths in combination with structural models can provide important insight into deformation styles of the upper crust (e.g. thin- vs. versus thick-skinned tectonics). Detailed images of seismogenic fault zones in the upper crust, on the other hand, will contribute to the assessment of the hazard related to natural and induced earthquakes, especially in regions targeted for radioactive waste repositories or geothermal energy production. The complex velocity structure of the uppermost crust and unfavorable network geometries, however, often hamper precise locations (i.e. focal depth) of shallow seismicity and therefore limit tectonic interpretations. In this study we present a new high-precision catalog of absolute locations of seismicity in Switzerland. High-quality travel-time data from local and regional earthquakes in the period 2000-2017 are used to solve the coupled hypocenter-velocity structure problem in 1D. For this purpose, the well-known VELEST inversion software was revised and extended to improve the quality assessment of travel-time data and to facilitate the identification of erroneous picks in the bulletin data. Results from the 1D inversion are used as initial parameters for a 3D local earthquake tomography. Well-studied earthquakes and high-quality quarry blasts are used to assess the quality of 1D and 3D relocations. In combination with information available from various controlled-source experiments, borehole data, and geological profiles, focal depths and associated host formations are assessed through comparison with the resolved 3D velocity structure. The new absolute locations and velocity models are used as initial values for relative double-difference relocation of earthquakes in Switzerland. Differential times are calculated from bulletin picks and waveform cross-correlation. The resulting double-difference catalog is used as a regional background catalog for a real-time double-difference approach. We will present our implementation strategy and test its performance for local applications using examples from well-recorded natural and induced earthquake sequences in Switzerland.

Evidence-based risk communication: a systematic review.

PubMed

Zipkin, Daniella A; Umscheid, Craig A; Keating, Nancy L; Allen, Elizabeth; Aung, KoKo; Beyth, Rebecca; Kaatz, Scott; Mann, Devin M; Sussman, Jeremy B; Korenstein, Deborah; Schardt, Connie; Nagi, Avishek; Sloane, Richard; Feldstein, David A

2014-08-19

Effective communication of risks and benefits to patients is critical for shared decision making. To review the comparative effectiveness of methods of communicating probabilistic information to patients that maximize their cognitive and behavioral outcomes. PubMed (1966 to March 2014) and CINAHL, EMBASE, and the Cochrane Central Register of Controlled Trials (1966 to December 2011) using several keywords and structured terms. Prospective or cross-sectional studies that recruited patients or healthy volunteers and compared any method of communicating probabilistic information with another method. Two independent reviewers extracted study characteristics and assessed risk of bias. Eighty-four articles, representing 91 unique studies, evaluated various methods of numerical and visual risk display across several risk scenarios and with diverse outcome measures. Studies showed that visual aids (icon arrays and bar graphs) improved patients' understanding and satisfaction. Presentations including absolute risk reductions were better than those including relative risk reductions for maximizing accuracy and seemed less likely than presentations with relative risk reductions to influence decisions to accept therapy. The presentation of numbers needed to treat reduced understanding. Comparative effects of presentations of frequencies (such as 1 in 5) versus event rates (percentages, such as 20%) were inconclusive. Most studies were small and highly variable in terms of setting, context, and methods of administering interventions. Visual aids and absolute risk formats can improve patients' understanding of probabilistic information, whereas numbers needed to treat can lessen their understanding. Due to study heterogeneity, the superiority of any single method for conveying probabilistic information is not established, but there are several good options to help clinicians communicate with patients. None.

Absolute and angular efficiencies of a microchannel-plate position-sensitive detector

NASA Technical Reports Server (NTRS)

Gao, R. S.; Gibner, P. S.; Newman, J. H.; Smith, K. A.; Stebbings, R. F.

1984-01-01

This paper presents a characterization of a commercially available position-sensitive detector of energetic ions and neutrals. The detector consists of two microchannel plates followed by a resistive position-encoding anode. The work includes measurement of absolute efficiencies of H(+), He(+), and O(+) ions in the energy range between 250 and 5000 eV, measurement of relative detection efficiencies as a function of particle impact angle, and a simple method for accurate measurement of the time at which a particle strikes the detector.

Preliminary Evaluation of the Radiometric Calibration of LANDSAT-4 Thematic Mapper Data by the Canada Centre for Remote Sensing

NASA Technical Reports Server (NTRS)

Murphy, J.; Park, W.; Fitzgerald, A.

1985-01-01

The radiometric characteristics of the LANDSAT-4 TM sensor are being studied with a view to developing absolute and relative radiometric calibration procedures. Preliminary results from several different approaches to the relative correction of all detectors within each band are reported. Topics covered include: the radiometric correction method; absolute calibration; the relative radiometric calibration algorithm; relative gain and offset calibration; relative gain and offset observations; and residual radiometric stripping.

Final report of the regional key comparison EURAMET.M.G-K1: European Comparison of Absolute Gravimeters ECAG-2011

NASA Astrophysics Data System (ADS)

Francis, Olivier; Klein, Gilbert; Baumann, Henri; Dando, Nicolas; Tracey, Ray; Ullrich, Christian; Castelein, Stefaan; Hua, Hu; Kang, Wu; Chongyang, Shen; Songbo, Xuan; Hongbo, Tan; Zhengyuan, Li; Pálinkás, Vojtech; Kostelecký, Jakub; Mäkinen, Jaakko; Näränen, Jyri; Merlet, Sébastien; Farah, Tristan; Guerlin, Christine; Pereira Dos Santos, Franck; Le Moigne, Nicolas; Champollion, Cédric; Deville, Sabrina; Timmen, Ludger; Falk, Reinhard; Wilmes, Herbert; Iacovone, Domenico; Baccaro, Francesco; Germak, Alessandro; Biolcati, Emanuele; Krynski, Jan; Sekowski, Marcin; Olszak, Tomasz; Pachuta, Andrzej; Agren, Jonas; Engfeldt, Andreas; Reudink, René; Inacio, Pedro; McLaughlin, Daniel; Shannon, Geoff; Eckl, Marc; Wilkins, Tim; van Westrum, Derek; Billson, Ryan

2012-01-01

During November 2011 a EURAMET key comparison of absolute gravimeters was organized in the Underground Laboratory for Geodynamics in Walferdange, Luxemburg. The comparison assembled 22 participants coming from 16 countries and four different continents. The comparison was divided into two parts: a key comparison that included six National Metrology Institutes or Designated Institutes, and a pilot study including all participants. The global result given by the pilot study confirms that all instruments are absolutely coherent with each other. The results obtained in the key comparison confirm a good agreement between the NMI instruments. Finally, a link to ICAG-2009 shows also that the NMI gravimeters are stable in time. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

Design of activated serine-containing catalytic triads with atomic level accuracy

PubMed Central

Rajagopalan, Sridharan; Wang, Chu; Yu, Kai; Kuzin, Alexandre P.; Richter, Florian; Lew, Scott; Miklos, Aleksandr E.; Matthews, Megan L.; Seetharaman, Jayaraman; Su, Min; Hunt, John. F.; Cravatt, Benjamin F.; Baker, David

2014-01-01

A challenge in the computational design of enzymes is that multiple properties must be simultaneously optimized -- substrate-binding, transition state stabilization, and product release -- and this has limited the absolute activity of successful designs. Here, we focus on a single critical property of many enzymes: the nucleophilicity of an active site residue that initiates catalysis. We design proteins with idealized serine-containing catalytic triads, and assess their nucleophilicity directly in native biological systems using activity-based organophosphate probes. Crystal structures of the most successful designs show unprecedented agreement with computational models, including extensive hydrogen bonding networks between the catalytic triad (or quartet) residues, and mutagenesis experiments demonstrate that these networks are critical for serine activation and organophosphate-reactivity. Following optimization by yeast-display, the designs react with organophosphate probes at rates comparable to natural serine hydrolases. Co-crystal structures with diisopropyl fluorophosphate bound to the serine nucleophile suggest the designs could provide the basis for a new class of organophosphate captures agents. PMID:24705591

The effect of diffuse basis functions on valence bond structural weights

NASA Astrophysics Data System (ADS)

Galbraith, John Morrison; James, Andrew M.; Nemes, Coleen T.

2014-03-01

Structural weights and bond dissociation energies have been determined for H-F, H-X, and F-X molecules (-X = -OH, -NH2, and -CH3) at the valence bond self-consistent field (VBSCF) and breathing orbital valence bond (BOVB) levels of theory with the aug-cc-pVDZ and 6-31++G(d,p) basis sets. At the BOVB level, the aug-cc-pVDZ basis set yields a counterintuitive ordering of ionic structural weights when the initial heavy atom s-type basis functions are included. For H-F, H-OH, and F-X, the ordering follows chemical intuition when these basis functions are not included. These counterintuitive weights are shown to be a result of the diffuse polarisation function on one VB fragment being spatially located, in part, on the other VB fragment. Except in the case of F-CH3, this problem is corrected with the 6-31++G(d,p) basis set. The initial heavy atom s-type functions are shown to make an important contribution to the VB orbitals and bond dissociation energies and, therefore, should not be excluded. It is recommended to not use diffuse basis sets in valence bond calculations unless absolutely necessary. If diffuse basis sets are needed, the 6-31++G(d,p) basis set should be used with caution and the structural weights checked against VBSCF values which have been shown to follow the expected ordering in all cases.

Employment in Appalachia: Trends and Prospects.

ERIC Educational Resources Information Center

Fuller, Theodore E.

The manufacturing industry's areal and structural growth trends were analyzed for insights into their possible future role in Appalachia's economy. Between 1950 and 1960, total manufacturing employment expanded in large-, medium-, and small-center population areas, in rates inverse to center size. However, absolute gains in employment were…

Assessment of the effects of regional channel stability and sediment transport on roadway hydraulic structures : final report.

DOT National Transportation Integrated Search

2014-06-01

Rivers and streams evolve all the time. As a result, no stream channel is absolutely stable. Channels evolve at various speeds both vertically (degradation/aggradation) and horizontally (meander : migration). They also respond to man-made changes ran...

Elemental and biochemical composition of Nephrops norvegicus (Linnaeus 1758) larvae from the Mediterranean and Irish Seas

NASA Astrophysics Data System (ADS)

Rotllant, Guiomar; Anger, Klaus; Durfort, Mercè; Sardà, Francisco

2004-10-01

The Norway lobster, Nephrops norvegicus, is a commercially exploited decapod which is widely distributed throughout the north-eastern Atlantic and the Mediterranean Sea. Ovigerous females originating from the Mediterranean and the Irish Seas were held in the laboratory until larvae hatched. Biomass and biochemical composition, as well as digestive gland structure, were examined in newly hatched larvae from these two regions. In addition, previously published data from a North Sea population were included in our comparison. Elemental analyses showed that the absolute quantities of dry mass (DM), carbon (C), nitrogen (N) and hydrogen (H) (collectively referred to as CHN) per individual, and the C:N mass ratios, were significantly lower, while the relative CHN, protein and lipid values (in % of DM) were higher in samples from the Irish Sea compared to larvae originating from either the Mediterranean or the North Sea. As in CHN, the absolute level of protein per individual was higher in larvae from the Mediterranean, while no significant differences were observed in the individual lipid contents. Likewise, the digestive gland structure at hatching did not show any differences between study areas. Intraspecific variability in biomass and chemical composition of newly hatched larvae from different regions may be related to differential patterns of reproduction in regions with different climatic conditions. Lobster larvae hatch in the Mediterranean Sea predominantly in winter when both water temperature and planktonic food availability are at a minimum, while hatching in the Irish Sea occurs under more favourable conditions in spring. Hence, significantly higher wet mass, dry mass and protein values in Mediterranean larvae may represent adaptive traits allowing for early posthatching survival and development under food-limited conditions in an oligotrophic environment.

Flood loss modelling with FLF-IT: a new flood loss function for Italian residential structures

NASA Astrophysics Data System (ADS)

Hasanzadeh Nafari, Roozbeh; Amadio, Mattia; Ngo, Tuan; Mysiak, Jaroslav

2017-07-01

The damage triggered by different flood events costs the Italian economy millions of euros each year. This cost is likely to increase in the future due to climate variability and economic development. In order to avoid or reduce such significant financial losses, risk management requires tools which can provide a reliable estimate of potential flood impacts across the country. Flood loss functions are an internationally accepted method for estimating physical flood damage in urban areas. In this study, we derived a new flood loss function for Italian residential structures (FLF-IT), on the basis of empirical damage data collected from a recent flood event in the region of Emilia-Romagna. The function was developed based on a new Australian approach (FLFA), which represents the confidence limits that exist around the parameterized functional depth-damage relationship. After model calibration, the performance of the model was validated for the prediction of loss ratios and absolute damage values. It was also contrasted with an uncalibrated relative model with frequent usage in Europe. In this regard, a three-fold cross-validation procedure was carried out over the empirical sample to measure the range of uncertainty from the actual damage data. The predictive capability has also been studied for some sub-classes of water depth. The validation procedure shows that the newly derived function performs well (no bias and only 10 % mean absolute error), especially when the water depth is high. Results of these validation tests illustrate the importance of model calibration. The advantages of the FLF-IT model over other Italian models include calibration with empirical data, consideration of the epistemic uncertainty of data, and the ability to change parameters based on building practices across Italy.

Assignment of the relative and absolute stereochemistry of two novel epoxides using NMR and DFT-GIAO calculations

NASA Astrophysics Data System (ADS)

Moraes, F. C.; Alvarenga, E. S.; Demuner, A. J.; Viana, V. M.

2018-07-01

Considering the potential biological application of isobenzofuranones, especially as agrochemical defensives, two novel epoxides, (1aR,2R,2aR,5S,5aS,6S,6aS)-5-(hydroxymethyl)hexahydro-2,6-methanooxireno[2,3-f]isobenzofuran-3(1aH)-one (9), and (1aS,2S,2aR,5S,5aS,6R,6aR)-5-(hydroxymethyl)hexahydro-2,6-methanooxireno[2,3-f]isobenzofuran-3(1aH)-one (10), were synthesized from the readily available D-mannitol in six steps. The multiplicities of the hydrogens located at the bridge of the bicycle are distinct for epoxides 9 and 10 due to W coupling, and this feature was employed to confirm the assignment of these nuclei. Besides analyses of the 2D NMR spectra, the assignments of the nuclei at the epoxide ring were also inferred from information obtained by theoretical calculations. The calculated 1H and 13C NMR chemical shifts for eight candidate structures were compared with the experimental chemical shifts of 9 and 10 by measuring the mean absolute errors (MAE) and by the DP4 statistical analysis. The structures and relative configurations of 9, and 10 were determined via NMR spectroscopy assisted with theoretical calculations. As consequence of the enantioselective syntheses starting from a natural polyol, the absolute configurations of the epoxides 9 and 10 were also defined.

An Ap-Structure with Finslerian Flavor II:. Torsion, Curvature and Other Objects

NASA Astrophysics Data System (ADS)

Wanas, M. I.; Kamal, Mona M.

An absolute parallelism (AP-) space having Finslerian properties is called FAP-space. This FAP-structure is wider than both conventional AP and Finsler structures. In the present work, more geometric objects as curvature and torsion tensors are derived in the context of this structure. Also second order tensors, usually needed for physical applications, are derived and studied. Furthermore, the anti-curvature and the W-tensor are defined for the FAP-structure. Relations between Riemannian, AP, Finsler and FAP structures are given. These relations facilitate comparison between results of applications carried out in the framework of these structures. We hope that the use of the FAP-structure, in applications may throw some light on some of the problems facing geometric field theories.

Mind and body therapy for fibromyalgia.

PubMed

Theadom, Alice; Cropley, Mark; Smith, Helen E; Feigin, Valery L; McPherson, Kathryn

2015-04-09

Mind-body interventions are based on the holistic principle that mind, body and behaviour are all interconnected. Mind-body interventions incorporate strategies that are thought to improve psychological and physical well-being, aim to allow patients to take an active role in their treatment, and promote people's ability to cope. Mind-body interventions are widely used by people with fibromyalgia to help manage their symptoms and improve well-being. Examples of mind-body therapies include psychological therapies, biofeedback, mindfulness, movement therapies and relaxation strategies. To review the benefits and harms of mind-body therapies in comparison to standard care and attention placebo control groups for adults with fibromyalgia, post-intervention and at three and six month follow-up. Electronic searches of the Cochrane Central Register of Controlled Trials (CENTRAL), MEDLINE (Ovid), EMBASE (Ovid), PsycINFO (Ovid), AMED (EBSCO) and CINAHL (Ovid) were conducted up to 30 October 2013. Searches of reference lists were conducted and authors in the field were contacted to identify additional relevant articles. All relevant randomised controlled trials (RCTs) of mind-body interventions for adults with fibromyalgia were included. Two authors independently selected studies, extracted the data and assessed trials for low, unclear or high risk of bias. Any discrepancy was resolved through discussion and consensus. Continuous outcomes were analysed using mean difference (MD) where the same outcome measure and scoring method was used and standardised mean difference (SMD) where different outcome measures were used. For binary data standard estimation of the risk ratio (RR) and its 95% confidence interval (CI) was used. Seventy-four papers describing 61 trials were identified, with 4234 predominantly female participants. The nature of fibromyalgia varied from mild to severe across the study populations. Twenty-six studies were classified as having a low risk of bias for all domains assessed. The findings of mind-body therapies compared with usual care were prioritised.There is low quality evidence that in comparison to usual care controls psychological therapies have favourable effects on physical functioning (SMD -0.4, 95% CI -0.6 to -0.3, -7.5% absolute change, 2 point shift on a 0 to 100 scale), pain (SMD -0.3, 95% CI -0.5 to -0.2, -3.5% absolute change, 2 point shift on a 0 to 100 scale) and mood (SMD -0.5, 95% CI -0.6 to -0.3, -4.8% absolute change, 3 point shift on a 20 to 80 scale). There is very low quality evidence of more withdrawals in the psychological therapy group in comparison to usual care controls (RR 1.38, 95% CI 1.12 to 1.69, 6% absolute risk difference). There is lack of evidence of a difference between the number of adverse events in the psychological therapy and control groups (RR 0.38, 95% CI 0.06 to 2.50, 4% absolute risk difference).There was very low quality evidence that biofeedback in comparison to usual care controls had an effect on physical functioning (SMD -0.1, 95% CI -0.4 to 0.3, -1.2% absolute change, 1 point shift on a 0 to 100 scale), pain (SMD -2.6, 95% CI -91.3 to 86.1, -2.6% absolute change) and mood (SMD 0.1, 95% CI -0.3 to 0.5, 1.9% absolute change, less than 1 point shift on a 0 to 90 scale) post-intervention. In view of the quality of evidence we cannot be certain that biofeedback has a little or no effect on these outcomes. There was very low quality evidence that biofeedback led to more withdrawals from the study (RR 4.08, 95% CI 1.43 to 11.62, 20% absolute risk difference). No adverse events were reported.There was no advantage observed for mindfulness in comparison to usual care for physical functioning (SMD -0.3, 95% CI -0.6 to 0.1, -4.8% absolute change, 4 point shift on a scale 0 to 100), pain (SMD -0.1, CI -0.4 to 0.3, -1.3% absolute change, less than 1 point shift on a 0 to 10 scale), mood (SMD -0.2, 95% CI -0.5 to 0.0, -3.7% absolute change, 2 point shift on a 20 to 80 scale) or withdrawals (RR 1.07, 95% CI 0.67 to 1.72, 2% absolute risk difference) between the two groups post-intervention. However, the quality of the evidence was very low for pain and moderate for mood and number of withdrawals. No studies reported any adverse events.Very low quality evidence revealed that movement therapies in comparison to usual care controls improved pain (MD -2.3, CI -4.2 to -0.4, -23% absolute change) and mood (MD -9.8, 95% CI -18.5 to -1.2, -16.4% absolute change) post-intervention. There was no advantage for physical functioning (SMD -0.2, 95% CI -0.5 to 0.2, -3.4% absolute change, 2 point shift on a 0 to 100 scale), participant withdrawals (RR 1.95, 95% CI 1.13 to 3.38, 11% absolute difference) or adverse events (RR 4.62, 95% CI 0.23 to 93.92, 4% absolute risk difference) between the two groups, however rare adverse events may include worsening of pain.Low quality evidence revealed that relaxation based therapies in comparison to usual care controls showed an advantage for physical functioning (MD -8.3, 95% CI -10.1 to -6.5, -10.4% absolute change) and pain (SMD -1.0, 95% CI -1.6 to -0.5, -3.5% absolute change, 2 point shift on a 0 to 78 scale) but not for mood (SMD -4.4, CI -14.5 to 5.6, -7.4% absolute change) post-intervention. There was no difference between the groups for number of withdrawals (RR 4.40, 95% CI 0.59 to 33.07, 31% absolute risk difference) and no adverse events were reported. Psychological interventions therapies may be effective in improving physical functioning, pain and low mood for adults with fibromyalgia in comparison to usual care controls but the quality of the evidence is low. Further research on the outcomes of therapies is needed to determine if positive effects identified post-intervention are sustained. The effectiveness of biofeedback, mindfulness, movement therapies and relaxation based therapies remains unclear as the quality of the evidence was very low or low. The small number of trials and inconsistency in the use of outcome measures across the trials restricted the analysis.

Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers

NASA Astrophysics Data System (ADS)

Yan, Huang; Ziyu, Hu; Xu, Gong; Xiaohong, Shao

2018-01-01

The structural, electronic and photocatalytic properties of five vacancy-containing 2D BiI3 monolayers are investigated by the first-principle calculations. The electronic structures show that the five structures are stable and have comparable binding energies to that of the pristine BiI3 monolayer, and the defects can tune the band gaps. Optical spectra indicate that the five structures retain high absorption capacity for visible light. The spin-orbit coupling (SOC) effect is found to play an important role in the band edge of defective structures, and the VBi and VBi-I3 defective BiI3 monolayers can make absolute band edges straddle water redox potentials more easily.

Peripheral absolute threshold spectral sensitivity in retinitis pigmentosa.

PubMed Central

Massof, R W; Johnson, M A; Finkelstein, D

1981-01-01

Dark-adapted spectral sensitivities were measured in the peripheral retinas of 38 patients diagnosed as having typical retinitis pigmentosa (RP) and in 3 normal volunteers. The patients included those having autosomal dominant and autosomal recessive inheritance patterns. Results were analysed by comparisons with the CIE standard scotopic spectral visibility function and with Judd's modification of the photopic spectral visibility function, with consideration of contributions from changes in spectral transmission of preretinal media. The data show 3 general patterns. One group of patients had absolute threshold spectral sensitivities that were fit by Judd's photopic visibility curve. Absolute threshold spectral sensitivities for a second group of patients were fit by a normal scotopic spectral visibility curve. The third group of patients had absolute threshold spectral sensitivities that were fit by a combination of scotopic and photopic spectral visibility curves. The autosomal dominant and autosomal recessive modes of inheritance were represented in each group of patients. These data indicate that RP patients have normal rod and/or cone spectral sensitivities, and support the subclassification of patients described previously by Massof and Finkelstein. PMID:7459312

Design considerations and validation of the MSTAR absolute metrology system

NASA Astrophysics Data System (ADS)

Peters, Robert D.; Lay, Oliver P.; Dubovitsky, Serge; Burger, Johan; Jeganathan, Muthu

2004-08-01

Absolute metrology measures the actual distance between two optical fiducials. A number of methods have been employed, including pulsed time-of-flight, intensity-modulated optical beam, and two-color interferometry. The rms accuracy is currently limited to ~5 microns. Resolving the integer number of wavelengths requires a 1-sigma range accuracy of ~0.1 microns. Closing this gap has a large pay-off: the range (length measurement) accuracy can be increased substantially using the unambiguous optical phase. The MSTAR sensor (Modulation Sideband Technology for Absolute Ranging) is a new system for measuring absolute distance, capable of resolving the integer cycle ambiguity of standard interferometers, and making it possible to measure distance with sub-nanometer accuracy. In this paper, we present recent experiments that use dispersed white light interferometry to independently validate the zero-point of the system. We also describe progress towards reducing the size of optics, and stabilizing the laser wavelength for operation over larger target ranges. MSTAR is a general-purpose tool for conveniently measuring length with much greater accuracy than was previously possible, and has a wide range of possible applications.

Absolute surface reconstruction by slope metrology and photogrammetry

NASA Astrophysics Data System (ADS)

Dong, Yue

Developing the manufacture of aspheric and freeform optical elements requires an advanced metrology method which is capable of inspecting these elements with arbitrary freeform surfaces. In this dissertation, a new surface measurement scheme is investigated for such a purpose, which is to measure the absolute surface shape of an object under test through its surface slope information obtained by photogrammetric measurement. A laser beam propagating toward the object reflects on its surface while the vectors of the incident and reflected beams are evaluated from the four spots they leave on the two parallel transparent windows in front of the object. The spots' spatial coordinates are determined by photogrammetry. With the knowledge of the incident and reflected beam vectors, the local slope information of the object surface is obtained through vector calculus and finally yields the absolute object surface profile by a reconstruction algorithm. An experimental setup is designed and the proposed measuring principle is experimentally demonstrated by measuring the absolute surface shape of a spherical mirror. The measurement uncertainty is analyzed, and efforts for improvement are made accordingly. In particular, structured windows are designed and fabricated to generate uniform scattering spots left by the transmitted laser beams. Calibration of the fringe reflection instrument, another typical surface slope measurement method, is also reported in the dissertation. Finally, a method for uncertainty analysis of a photogrammetry measurement system by optical simulation is investigated.

The predictive value of C-reactive protein (CRP) in acute pancreatitis - is interval change in CRP an additional indicator of severity?

PubMed

Stirling, Aaron D; Moran, Neil R; Kelly, Michael E; Ridgway, Paul F; Conlon, Kevin C

2017-10-01

Using revised Atlanta classification defined outcomes, we compare absolute values in C-reactive protein (CRP), with interval changes in CRP, for severity stratification in acute pancreatitis (AP). A retrospective study of all first incidence AP was conducted over a 5-year period. Interval change in CRP values from admission to day 1, 2 and 3 was compared against the absolute values. Receiver-operator characteristic (ROC) curve and likelihood ratios (LRs) were used to compare ability to predict severe and mild disease. 337 cases of first incidence AP were included in our analysis. ROC curve analysis demonstrated the second day as the most useful time for repeat CRP measurement. A CRP interval change >90 mg/dL at 48 h (+LR 2.15, -LR 0.26) was equivalent to an absolute value of >150 mg/dL within 48 h (+LR 2.32, -LR 0.25). The optimal cut-off for absolute CRP based on new, more stringent definition of severity was >190 mg/dL (+LR 2.72, -LR 0.24). Interval change in CRP is a comparable measure to absolute CRP in the prognostication of AP severity. This study suggests a rise of >90 mg/dL from admission or an absolute value of >190 mg/dL at 48 h predicts severe disease with the greatest accuracy. Copyright © 2017 International Hepato-Pancreato-Biliary Association Inc. Published by Elsevier Ltd. All rights reserved.

The metabolism of plant sterols is disturbed in postmenopausal women with coronary artery disease.

PubMed

Gylling, Helena; Hallikainen, Maarit; Rajaratnam, Radhakrishnan A; Simonen, Piia; Pihlajamäki, Jussi; Laakso, Markku; Miettinen, Tatu A

2009-03-01

In postmenopausal coronary artery disease (CAD) women, serum plant sterols are elevated. Thus, we investigated further whether serum plant sterols reflect absolute cholesterol metabolism in CAD as in other populations and whether the ABCG5 and ABCG8 genes, associated with plant sterol metabolism, were related to the risk of CAD. In free-living postmenopausal women with (n = 47) and without (n = 62) CAD, serum noncholesterol sterols including plant sterols were analyzed with gas-liquid chromatography, cholesterol absorption with peroral isotopes, absolute cholesterol synthesis with sterol balance technique, and bile acid synthesis with quantitating fecal bile acids. In CAD women, serum plant sterol ratios to cholesterol were 21% to 26% (P < .05) higher than in controls despite similar cholesterol absorption efficiency. Absolute cholesterol and bile acid synthesis were reduced. Only in controls were serum plant sterols related to cholesterol absorption (eg, sitosterol; in controls: r = 0.533, P < .001; in CAD: r = 0.296, P = not significant). However, even in CAD women, serum lathosterol (relative synthesis marker) and lathosterol-cholestanol (relative synthesis-absorption marker) were related to absolute synthesis and absorption percentage (P range from .05 to <.001) similarly to controls. Frequencies of the common polymorphisms of ABCG5 and ABCG8 genes did not differ between coronary and control women. In conclusion, plant sterol metabolism is disturbed in CAD women; so serum plant sterols only tended to reflect absolute cholesterol absorption. Other relative markers of cholesterol metabolism were related to the absolute ones in both groups. ABCG5 and ABCG8 genes were not associated with the risk of CAD.

Absolute geostrophic currents over the SR02 section south of Africa in December 2009

NASA Astrophysics Data System (ADS)

Tarakanov, Roman

2017-04-01

The structure of the absolute geostrophic currents is investigated on the basis of CTD-, SADCP- and LADCP-data over the hydrographic section occupied south of Africa from the Good Hope Cape to 57° S along the Prime Meridian, and on the basis of satellite data on absolute dynamic topography (ADT) produced by Ssalto/Duacs and distributed by Aviso, with a support from Cnes (http://www.aviso.altimetry.fr/duacs/). Thus the section crossed the subtropical zone (at the junction of the subtropical gyres of the Indian and Atlantic oceans), the Antarctic Circumpolar Current (ACC) and terminated at the northern periphery of the Weddell Gyre. A total of 87 stations were occupied here with CTD-, and LADCP-profiling in the entire water column. The distance between stations was 20 nautical miles. Absolute geostrophic currents were calculated between each pair of CTD-stations with barotropic correction based on two methods: by SADCP data and by ADT at these stations. The subtropical part of the section crossed a large segment of the Agulhas meander, already separated from the current and disintegrating into individual eddies. In addition, smaller formed cyclones and anticyclones of the Agulhas Current were also observed in this zone. These structural elements of the upper layer of the ocean currents do not penetrate deeper than 1000-1500 m. Oppositely directed barotropic currents with velocities up to 30 cm/s were observed below these depths extending to the ocean bottom. Such large velocities agree well with the data of the bottom tracking of Lowered ADCP. Only these data were the reliable results of LADCP measurements because of the high transparency of the deep waters of the subtropical zone. The total transport of absolute geostrophic currents in the section is estimated as 144 and 179 Sv to the east, based on the SADCP and ADT barotropic correction, respectively. A transport of 4 (2) Sv to the east was observed on the northern periphery of the Weddell Gyre, 187 (182) Sv to the east was in the ACC zone (up to Subtropical front), 47 (5) Sv to the west was in the subtropical zone. The total transport of abyssal barotropic currents in the subtropical zone was 18 to the west (7 to the east).

Two rare-class tricyclic diterpenes with antitubercular activity from the Caribbean sponge Svenzea flava. Application of vibrational circular dichroism spectroscopy for determining absolute configuration.

PubMed

Avilés, Edward; Rodríguez, Abimael D; Vicente, Jan

2013-11-15

Two new natural products, 3 and 4, and their predecessor 7-isocyanoisoneoamphilecta-1(14),15-diene (2), of the rare isoneoamphilectane class of marine diterpenes, along with the known amphilectane diterpenes 6-8, were isolated from the n-hexane extract of the marine sponge Svenzea flava collected at Great Inagua Island, Bahamas. The molecular structures of compounds 3 and 4 were established by spectroscopic (1D/2D NMR, IR, UV, HRMS) methods and confirmed by a series of chemical correlation studies. In a first ever case study of the assignment of the absolute configuration of a molecule based on the isoneoamphilectane carbon skeleton, the absolute configuration of compound 5 was established as 3S,4R,7S,8S,11R,12S,13R by application of vibrational circular dichroism (VCD). In vitro anti-TB screenings revealed that metabolites 2-4 and, in particular, semisynthetic analogue 5, are strong growth inhibitors of Mycobacterium tuberculosis H37Rv.

Excited-state structure and electronic dephasing time of Nile blue from absolute resonance Raman intensities

NASA Astrophysics Data System (ADS)

Lawless, Mary K.; Mathies, Richard A.

1992-06-01

Absolute resonance Raman cross sections are measured for Nile blue 690 perchlorate dissolved in ethylene glycol with excitation at 514, 531, and 568 nm. These values and the absorption spectrum are modeled using a time-dependent wave packet formalism. The excited-state equilibrium geometry changes are quantitated for 40 resonance Raman active modes, seven of which (590, 1141, 1351, 1429, 1492, 1544, and 1640 cm-1 ) carry 70% of the total resonance Raman intensity. This demonstrates that in addition to the prominent 590 and 1640 cm-1 modes, a large number of vibrational degrees of freedom are Franck-Condon coupled to the electronic transition. After exposure of the explicit vibrational progressions, the residual absorption linewidth is separated into its homogeneous [350 cm-1 half-width at half-maximum (HWHM)] and inhomogeneous (313 cm-1 HWHM) components through an analysis of the absolute Raman cross sections. The value of the electronic dephasing time derived from this study (25 fs) compares well to previously published results. These data should be valuable in multimode modeling of femtosecond experiments on Nile blue.

Linear ultrasonic motor for absolute gravimeter.

PubMed

Jian, Yue; Yao, Zhiyuan; Silberschmidt, Vadim V

2017-05-01

Thanks to their compactness and suitability for vacuum applications, linear ultrasonic motors are considered as substitutes for classical electromagnetic motors as driving elements in absolute gravimeters. Still, their application is prevented by relatively low power output. To overcome this limitation and provide better stability, a V-type linear ultrasonic motor with a new clamping method is proposed for a gravimeter. In this paper, a mechanical model of stators with flexible clamping components is suggested, according to a design criterion for clamps of linear ultrasonic motors. After that, an effect of tangential and normal rigidity of the clamping components on mechanical output is studied. It is followed by discussion of a new clamping method with sufficient tangential rigidity and a capability to facilitate pre-load. Additionally, a prototype of the motor with the proposed clamping method was fabricated and the performance tests in vertical direction were implemented. Experimental results show that the suggested motor has structural stability and high dynamic performance, such as no-load speed of 1.4m/s and maximal thrust of 43N, meeting the requirements for absolute gravimeters. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemistry for Kids: What Do Chemists Do? A Program for Grades 1-3.

ERIC Educational Resources Information Center

Umland, Jean B.

1985-01-01

Proposes a simple solution to the problem of expressing graphically absolute configuration, racemic character, and relative configuration in molecules. As demonstrated by several examples, the proposed convention brings added clarity and simplicity to structural drawings and renders graphic displays of chiral molecules as explicit and information…

Neolignans from the Leaves of Casearia sylvestris Swartz

USDA-ARS?s Scientific Manuscript database

Six new neolignans, casearialignans A-F (1-6) and one known lignan syringaresinol-ß-D-glucoside were isolated from the leaves of Casearia sylvestris. Their structures were determined on the basis of 1D and 2 D NMR and high resolution ESI-MS spectroscopic analyses. The relative and absolute configura...

Evaluating the relative environmental impact of countries.

PubMed

Bradshaw, Corey J A; Giam, Xingli; Sodhi, Navjot S

2010-05-03

Environmental protection is critical to maintain ecosystem services essential for human well-being. It is important to be able to rank countries by their environmental impact so that poor performers as well as policy 'models' can be identified. We provide novel metrics of country-specific environmental impact ranks - one proportional to total resource availability per country and an absolute (total) measure of impact - that explicitly avoid incorporating confounding human health or economic indicators. Our rankings are based on natural forest loss, habitat conversion, marine captures, fertilizer use, water pollution, carbon emissions and species threat, although many other variables were excluded due to a lack of country-specific data. Of 228 countries considered, 179 (proportional) and 171 (absolute) had sufficient data for correlations. The proportional index ranked Singapore, Korea, Qatar, Kuwait, Japan, Thailand, Bahrain, Malaysia, Philippines and Netherlands as having the highest proportional environmental impact, whereas Brazil, USA, China, Indonesia, Japan, Mexico, India, Russia, Australia and Peru had the highest absolute impact (i.e., total resource use, emissions and species threatened). Proportional and absolute environmental impact ranks were correlated, with mainly Asian countries having both high proportional and absolute impact. Despite weak concordance among the drivers of environmental impact, countries often perform poorly for different reasons. We found no evidence to support the environmental Kuznets curve hypothesis of a non-linear relationship between impact and per capita wealth, although there was a weak reduction in environmental impact as per capita wealth increases. Using structural equation models to account for cross-correlation, we found that increasing wealth was the most important driver of environmental impact. Our results show that the global community not only has to encourage better environmental performance in less-developed countries, especially those in Asia, there is also a requirement to focus on the development of environmentally friendly practices in wealthier countries.

Socio-economic disparities in the consumption of vegetables, fruit and energy-dense foods: the role of motive priorities.

PubMed

Konttinen, Hanna; Sarlio-Lähteenkorva, Sirpa; Silventoinen, Karri; Männistö, Satu; Haukkala, Ari

2013-05-01

A low socio-economic status (SES) is related to less healthy dietary habits, but the reasons for this remain unclear. We examined whether the absolute or relative importance of various food choice motives contributed to SES disparities in vegetable/fruit and energy-dense food intake. We analysed cross-sectional data from the FINRISK Study 2007 by means of structural equation modelling and used a shortened version of the Food Choice Questionnaire to assess the absolute importance of health, pleasure, convenience, price, familiarity and ethicality motives. We calculated the relative importance of each motive by dividing the participant's rating of it by his/her mean score on all motives. Dietary intake was measured with an FFQ. A population-based survey in Finland. Men (n 1691) and women (n 2059) aged 25-64 years. Higher education and income were related to a greater vegetable/fruit intake (β = 0·12, P < 0·001), while education was associated negatively with the consumption of energy-dense foods (β = -0·09, P < 0·001). Socio-economically disadvantaged individuals considered price and/or familiarity more important in their food choices in both absolute and relative terms. A higher income was related to a greater relative importance of health considerations. Relative motives were more strongly associated with vegetable/fruit and energy-dense food consumption than absolute motives and the relative importance of price, familiarity and health partly mediated the effects of the SES indicators on the consumption of these food items. Individual priorities in food choice motives, rather than the absolute importance of single motives, play a role in producing SES disparities in diet.

Accepting "total and complete responsibility": new age neo-feminist violence against women.

PubMed

Sethna, C

1992-02-01

Barry Konikov, a hypnotherapist, of Potentials Unlimited Inc., a Michigan-based company which produces approximately 160 Subliminal Persuasion/Self Hypnosis tapes, promises his listeners miracles. The tapes on premenstrual syndrome, abortion, and sexual abuse were analyzed. The self-hypnosis message by Konikov is dangerous for women, because his antifeminism, misogyny, and patriarchism are couched insidiously within New Age neofeminism. Under therapeutic guidance the woman listener can direct her own transformation to complete mental, physical, and spiritual well-being, and her new and improved self is so empowered as to accept total and complete responsibility to overcome the hurt about menstruation, abortion, or sexual abuse. Growth therapies such as Gestalt, guided fantasies, and bioenergetics undermine women with false promises of power. If women are so powerful, then it is their fault if they got raped, or battered, or if they have not received love, money, and inner peace. While seemingly empowering women to develop a strong sense of personal agency, Konikov ignores the patriarchal structures which intersect his women listeners' experience of menstrual discomfort, abortion, and sexual abuse. Konikov's New Age, neofeminist stance contains 4 stages of healing: responsibility, absolution, forgiveness, and resolution. Accepting responsibility for the wound next leads to absolution, and particularly absolution for men. As an example of absolution, Konikov's woman client-ex-plantation slave accepted her past-life relationship to her husband, absolved him of guild, and decided upon a divorce. The issue of absolution widens into forgiveness in the healing process, whereby Konikov wants women to hypnotize themselves therapy should be to help a woman see how her own power as an individual is inextricably bound to the collective power of women as a group. There is no doubt that the New Age neofeminist stance taken by Konikov on the tapes leaves women profoundly disempowered.

Assessment of Photogrammetry Structure-from-Motion Compared to Terrestrial LiDAR Scanning for Generating Digital Elevation Models. Application to the Austre Lovéenbreen Polar Glacier Basin, Spitsbergen 79°N

NASA Astrophysics Data System (ADS)

Tolle, F.; Friedt, J. M.; Bernard, É.; Prokop, A.; Griselin, M.

2014-12-01

Digital Elevation Model (DEM) is a key tool for analyzing spatially dependent processes including snow accumulation on slopes or glacier mass balance. Acquiring DEM within short time intervals provides new opportunities to evaluate such phenomena at the daily to seasonal rates.DEMs are usually generated from satellite imagery, aerial photography, airborne and ground-based LiDAR, and GPS surveys. In addition to these classical methods, we consider another alternative for periodic DEM acquisition with lower logistics requirements: digital processing of ground based, oblique view digital photography. Such a dataset, acquired using commercial off the shelf cameras, provides the source for generating elevation models using Structure from Motion (SfM) algorithms. Sets of pictures of a same structure but taken from various points of view are acquired. Selected features are identified on the images and allow for the reconstruction of the three-dimensional (3D) point cloud after computing the camera positions and optical properties. This cloud point, generated in an arbitrary coordinate system, is converted to an absolute coordinate system either by adding constraints of Ground Control Points (GCP), or including the (GPS) position of the cameras in the processing chain. We selected the opensource digital signal processing library provided by the French Geographic Institute (IGN) called Micmac for its fine processing granularity and the ability to assess the quality of each processing step.Although operating in snow covered environments appears challenging due to the lack of relevant features, we observed that enough reference points could be identified for 3D reconstruction. Despite poor climatic environment of the Arctic region considered (Ny Alesund area, 79oN) is not a problem for SfM, the low lying spring sun and the cast shadows appear as a limitation because of the lack of color dynamics in the digital cameras we used. A detailed understanding of the processing steps is mandatory during the image acquisition phase: compliance with acquisition rules reducing digital processing errors helps minimizing the uncertainty on the point cloud absolute position in its coordinate system. 3D models from SfM are compared with terrestrial LiDAR acquisitions for resolution assesment.

A new pair of enantiomeric lignans from the fruits of Morinda citrifolia and their absolute configuration.

PubMed

Liu, Wen-Jian; Chen, Yue-Juan; Chen, Dan-Na; Wu, Ya-Ping; Gao, Yu-Jie; Li, Jing; Zhong, Wen-Jun; Jiang, Lin

2018-04-01

A new pair of sesamin-type lignan enantiomers (±)-morifolia A (1a/1b) together with eight known analogues (2-9) were isolated from the fruits of Morinda citrifolia. Their structures were established by spectroscopic data and the absolute configurations of 1a/1b were determined by ECD calculation. All compounds were examined for their inhibitory effects on the nitric oxide (NO) production induced by lipopolysaccharide (LPS) in RAW 264.7 macrophages, and compounds 1a, 1b, 2-4 and 7-9 exhibited pronounced inhibition with IC 50 values in the range of 1.97-8.01 (μM, being more active than the positive control, quercetin (IC 50  = 15.32 (M).

Quantum glassiness in clean strongly correlated systems: an example of topological overprotection

NASA Astrophysics Data System (ADS)

Chamon, Claudio

2005-03-01

Describing matter at near absolute zero temperature requires understanding a system's quantum ground state and the low energy excitations around it, the quasiparticles, which are thermally populated by the system's contact to a heat bath. However, this paradigm breaks down if thermal equilibration is obstructed. I present solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, 1) have no quenched disorder, 2) have solely local interactions, 3) have an exactly solvable spectrum, 4) have topologically ordered ground states, and 5) have slow dynamical relaxation rates akin to those of strong structural glasses.

High-power laser interaction with low-density C–Cu foams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez, F.; Colvin, J. D.; May, M. J.

2015-11-15

We study the propagation of high-power laser beams in micro-structured carbon foams by monitoring the x-ray output from deliberately introduced Cu content. In particular, we characterize this phenomenon measuring absolute time-resolved x-ray yields, time-resolved x-ray imaging, and x-ray spectroscopy. New experimental results for C–Cu foams show a faster heat front velocity than simulation that assumed homogeneous plasma. We suggest the foam micro-structure may explain this trend.

High-power laser interaction with low-density C–Cu foams

DOE PAGES

Pérez, F.; Colvin, J. D.; May, M. J.; ...

2015-11-19

Here, we study the propagation of high-power laser beams in micro-structured carbon foams by monitoring the x-ray output from deliberately introduced Cu content. In particular, we characterize this phenomenon measuring absolute time-resolved x-ray yields, time-resolved x-ray imaging, and x-ray spectroscopy. New experimental results for C–Cu foams show a faster heat front velocity than simulation that assumed homogeneous plasma. We suggest the foam micro-structure may explain this trend.

Prolinimines: N-Amino-l-Pro-methyl Ester (Hydrazine) Schiff Bases from a Fish Gastrointestinal Tract-Derived Fungus, Trichoderma sp. CMB-F563.

PubMed

Mohamed, Osama G; Khalil, Zeinab G; Capon, Robert J

2018-01-19

A rice cultivation of a fish gastrointestinal tract-derived fungus, Trichoderma sp. CMB-F563, yielded natural products incorporating a rare hydrazine moiety, embedded within a Schiff base. Structures inclusive of absolute configurations were assigned to prolinimines A-D (1-4) on the basis of detailed spectroscopic and C 3 Marfey's analysis, as well as biosynthetic considerations, biomimetic total synthesis, and chemical transformations. Of note, monomeric 1 proved to be acid labile and, during isolation, underwent quantitative transformation to dimeric 3 and trimeric 4. Prolinimines are only the second reported natural products incorporating an N-amino-Pro residue, the first to include l-Pro, the first to occur as Schiff bases, and the first to be isolated from a microorganism.

Flavonoid alkaloids from Scutellaria moniliorrhiza with anti-inflammatory activities and inhibitory activities against aldose reductase.

PubMed

Han, Qing-Tong; Ren, Yan; Li, Gui-Sheng; Xiang, Kang-Lin; Dai, Sheng-Jun

2018-05-11

Four undescribed flavonoid alkaloids, as two pairs of enantiomers, were initially isolated as a racemate from the whole plant of Scutellaria moniliorrhiza. By means of chiral HPLC, four isomers, named scumonilines A-D, were successfully separated, and their chemical structures including absolute configurations were established by mass as well as NMR spectroscopy and CD technique. In vitro, four flavonoid alkaloids showed anti-inflammatory activities, with IC 50 values against the release of β-glucuronidase from polymorphonuclear leukocytes of rats being in the range 5.16-5.85 μΜ. Moreover, four compounds were evaluated for their inhibitory activities against aldose reductase, and gave IC 50 values in the range 2.29-3.03 μΜ. Copyright © 2018 Elsevier Ltd. All rights reserved.

Analysis of signals propagating in a phononic crystal PZT layer deposited on a silicon substrate.

PubMed

Hladky-Hennion, Anne-Christine; Vasseur, Jérôme; Dubus, Bertrand; Morvan, Bruno; Wilkie-Chancellier, Nicolas; Martinez, Loïc

2013-12-01

The design of a stop-band filter constituted by a periodically patterned lead zirconate titanate (PZT) layer, polarized along its thickness, deposited on a silicon substrate and sandwiched between interdigitated electrodes for emission/reception of guided elastic waves, is investigated. The filter characteristics are theoretically evaluated by using finite element simulations: dispersion curves of a patterned PZT layer with a specific pattern geometry deposited on a silicon substrate present an absolute stop band. The whole structure is modeled with realistic conditions, including appropriate interdigitated electrodes to propagate a guided mode in the piezoelectric layer. A robust method for signal analysis based on the Gabor transform is applied to treat transmitted signals; extract attenuation, group delays, and wave number variations versus frequency; and identify stop-band filter characteristics.

Cytotoxic steroids from the leaves of Dysoxylum binectariferum.

PubMed

Yan, Hui-Jiao; Wang, Jun-Song; Kong, Ling-Yi

2014-08-01

Four new cholestane-type (1-4) and two new ergostane-type (5, 6) steroids were isolated from the leaves of Dysoxylum binectariferum. Their structures were elucidated on the basis of spectroscopic analysis, including 1D and 2D NMR techniques. The absolute configurations were established by comparison with the literature and Mo2(OAc)4-induced electronic circular dichroism (ECD) data. All the isolates were evaluated for cytotoxicity against A549 (lung carcinoma), MCF-7 (breast adenocarcinoma), and HepG2 (hepatocellular carcinoma) human cancer cell lines. Three of the new cholestane-type steroids displayed potent antiproliferative effects on the tumor cells with IC50 values ranging from 1.5 to 9.6μM, whereas the two new ergostane-type (5, 6) steroids were deemed inactive. Copyright © 2014 Elsevier Inc. All rights reserved.

Precision Spectroscopy of Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Hänsch, Theodor W.

1994-08-01

The simple hydrogen atom permits unique confrontations between spectroscopic experiment and fundamental theory. The experimental resolution and measurement accuracy continue to improve exponentially. Recent advances include a new measurement of the Lamb shift of the 1S ground state which provides now the most stringent test of QED for an atom and reveals unexpectedly large two-loop binding corrections. The H-D isotope shift of the extremely narrow 1S-2S two-photon resonance is yielding a new value for the structure radius of the deuteron, in agreement with nuclear theory. The Rydberg constant as determined within 3 parts in 1011 by two independent groups has become the most accurately known of any fundamental constant. Advances in the art of absolute optical frequency measurements will permit still more precise experiments in the near future.

In vivo evaluation of axial integrity of coronary stents using intravascular ultrasound: Insights on longitudinal stent deformation.

PubMed

Dvir, Danny; Kitabata, Hironori; Barbash, Israel M; Minha, Sa'ar; Badr, Salem; Loh, Joshua P; Chen, Fang; Torguson, Rebecca; Waksman, Ron

2014-09-01

To evaluate the axial integrity of different coronary stents using intravascular ultrasound (IVUS). Longitudinal stent deformation was recently reported. Consecutive patients who underwent IVUS analysis after drug-eluting stent (DES) implantation for de novo coronary lesions were evaluated. Stent length was compared with label length for calculation of absolute change and relative difference (absolute change divided by label length). A total of 233 DES utilizing five different platforms were included. The median absolute change in stent length was 0.90 mm (interquartile range [IQR] 0.48-1.39) and the relative difference was 5.24% (IQR 2.55-8.29). There was no significant difference among the groups in median absolute or relative change: Cypher 0.89 mm/3.89%, Taxus 0.88 mm/5.39%, Endeavor 1.16 mm/6.77%, Xience V 0.86 mm/5.80%, and PROMUS Element 0.79 mm/5.34% (P = 0.085, P = 0.072, respectively). Multivariate logistic regression revealed that the Cypher stent was independently correlated with a lower change in length, whereas stent label length and deployment pressure were correlated with higher absolute change. The axial integrity of DES platforms examined in vivo was high, with only mild changes in stent length after implantation. While there are differences between first- and second-generation DES, axial integrity among second-generation DES was similar. © 2013 Wiley Periodicals, Inc.

Directly relating gas-phase cluster measurements to solution-phase hydrolysis, the absolute standard hydrogen electrode potential, and the absolute proton solvation energy.

PubMed

Donald, William A; Leib, Ryan D; O'Brien, Jeremy T; Williams, Evan R

2009-06-08

Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M(H(2)O)(24)(2+)(g) + e(-)(g)-->M(H(2)O)(24)(+)(g) and 2) M(H(2)O)(24)(2+)(g) + e(-)(g)-->MOH(H(2)O)(23)(+)(g) + H(g) and the hydrogen atom affinities of MOH(H(2)O)(23)(+)(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e(-)(g) (standard deviation of 0.02 V) and a real proton solvation free energy of -265 kcal mol(-1) are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution.

Directly Relating Gas-Phase Cluster Measurements to Solution-Phase Hydrolysis, the Absolute Standard Hydrogen Electrode Potential, and the Absolute Proton Solvation Energy

PubMed Central

Donald, William A.; Leib, Ryan D.; O’Brien, Jeremy T.; Williams, Evan R.

2009-01-01

Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M-(H2O)242+(g)+e−(g)→M(H2O)24+(g) and 2) M(H2O)242+(g)+e−(g)→MOH(H2O)23+(g)+H(g) and the hydrogen atom affinities of MOH(H2O)23+(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e−(g) (standard deviation of 0.02 V) and a real proton solvation free energy of −265 kcal mol−1 are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution. PMID:19440999

Subjective wellbeing and income: Empirical patterns in the rural developing world.

PubMed

Reyes-García, Victoria; Babigumira, Ronnie; Pyhälä, Aili; Wunder, Sven; Zorondo-Rodríguez, Francisco; Angelsen, Arild

2016-04-01

A commonality in the economics of happiness literature is that absolute income matters more for the subjective wellbeing of people at low income levels. In this article, we use a large sample of people in rural areas of developing countries with relatively low income levels to test whether subjective wellbeing an increasing function of absolute income in our sample, and to analyze the existence of adaptation and social comparison effects on subjective wellbeing. Our sample includes 6973 rural households in 23 countries throughout Asia, Africa, and Latin America. The average total income per adult equivalent in our sample was US$1555, whereas levels of subjective wellbeing resembled levels found in previous research using cross-country data. We find that, despite low levels of absolute income, levels of subjective wellbeing of our respondents resemble levels found in previous research using cross-country data. We also find remarkable similarities in many of the determinants of subjective wellbeing previously tested. Our data show that absolute income covariates with subjective wellbeing, but -as for richer samples- the magnitude of the association is lower once we control for adaptation and social comparison. Finally, our results suggest that social comparison has a stronger effect than adaptation in explaining the subjective wellbeing of our sample. Our findings highlight the importance of adaptation and social comparison even at low levels of absolute income.

Subjective wellbeing and income: Empirical patterns in the rural developing world

PubMed Central

Reyes-García, Victoria; Babigumira, Ronnie; Pyhälä, Aili; Wunder, Sven; Zorondo-Rodríguez, Francisco; Angelsen, Arild

2016-01-01

A commonality in the economics of happiness literature is that absolute income matters more for the subjective wellbeing of people at low income levels. In this article, we use a large sample of people in rural areas of developing countries with relatively low income levels to test whether subjective wellbeing an increasing function of absolute income in our sample, and to analyze the existence of adaptation and social comparison effects on subjective wellbeing. Our sample includes 6973 rural households in 23 countries throughout Asia, Africa, and Latin America. The average total income per adult equivalent in our sample was US$1555, whereas levels of subjective wellbeing resembled levels found in previous research using cross-country data. We find that, despite low levels of absolute income, levels of subjective wellbeing of our respondents resemble levels found in previous research using cross-country data. We also find remarkable similarities in many of the determinants of subjective wellbeing previously tested. Our data show that absolute income covariates with subjective wellbeing, but -as for richer samples- the magnitude of the association is lower once we control for adaptation and social comparison. Finally, our results suggest that social comparison has a stronger effect than adaptation in explaining the subjective wellbeing of our sample. Our findings highlight the importance of adaptation and social comparison even at low levels of absolute income. PMID:27642259

A strategy for absolute proteome quantification with mass spectrometry by hierarchical use of peptide-concatenated standards.

PubMed

Kito, Keiji; Okada, Mitsuhiro; Ishibashi, Yuko; Okada, Satoshi; Ito, Takashi

2016-05-01

The accurate and precise absolute abundance of proteins can be determined using mass spectrometry by spiking the sample with stable isotope-labeled standards. In this study, we developed a strategy of hierarchical use of peptide-concatenated standards (PCSs) to quantify more proteins over a wider dynamic range. Multiple primary PCSs were used for quantification of many target proteins. Unique "ID-tag peptides" were introduced into individual primary PCSs, allowing us to monitor the exact amounts of individual PCSs using a "secondary PCS" in which all "ID-tag peptides" were concatenated. Furthermore, we varied the copy number of the "ID-tag peptide" in each PCS according to a range of expression levels of target proteins. This strategy accomplished absolute quantification over a wider range than that of the measured ratios. The quantified abundance of budding yeast proteins showed a high reproducibility for replicate analyses and similar copy numbers per cell for ribosomal proteins, demonstrating the accuracy and precision of this strategy. A comparison with the absolute abundance of transcripts clearly indicated different post-transcriptional regulation of expression for specific functional groups. Thus, the approach presented here is a faithful method for the absolute quantification of proteomes and provides insights into biological mechanisms, including the regulation of expressed protein abundance. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Prognostic value of absolute monocyte count in chronic lymphocytic leukaemia].

PubMed

Szerafin, László; Jakó, János; Riskó, Ferenc

2015-04-01

The low peripheral absolute lymphocyte and high monocyte count have been reported to correlate with poor clinical outcome in various lymphomas and other cancers. However, a few data known about the prognostic value of absolute monocyte count in chronic lymphocytic leukaemia. The aim of the authors was to investigate the impact of absolute monocyte count measured at the time of diagnosis in patients with chronic lymphocytic leukaemia on the time to treatment and overal survival. Between January 1, 2005 and December 31, 2012, 223 patients with newly-diagnosed chronic lymphocytic leukaemia were included. The rate of patients needing treatment, time to treatment, overal survival and causes of mortality based on Rai stages, CD38, ZAP-70 positivity and absolute monocyte count were analyzed. Therapy was necessary in 21.1%, 57.4%, 88.9%, 88.9% and 100% of patients in Rai stage 0, I, II, III an IV, respectively; in 61.9% and 60.8% of patients exhibiting CD38 and ZAP-70 positivity, respectively; and in 76.9%, 21.2% and 66.2% of patients if the absolute monocyte count was <0.25 G/l, between 0.25-0.75 G/l and >0.75 G/l, respectively. The median time to treatment and the median overal survival were 19.5, 65, and 35.5 months; and 41.5, 65, and 49.5 months according to the three groups of monocyte counts. The relative risk of beginning the therapy was 1.62 (p<0.01) in patients with absolute monocyte count <0.25 G/l or >0.75 G/l, as compared to those with 0.25-0.75 G/l, and the risk of overal survival was 2.41 (p<0.01) in patients with absolute monocyte count lower than 0.25 G/l as compared to those with higher than 0.25 G/l. The relative risks remained significant in Rai 0 patients, too. The leading causes of mortality were infections (41.7%) and the chronic lymphocytic leukaemia (58.3%) in patients with low monocyte count, while tumours (25.9-35.3%) and other events (48.1 and 11.8%) occurred in patients with medium or high monocyte counts. Patients with low and high monocyte counts had a shorter time to treatment compared to patients who belonged to the intermediate monocyte count group. The low absolute monocyte count was associated with increased mortality caused by infectious complications and chronic lymphocytic leukaemia. The absolute monocyte count may give additional prognostic information in Rai stage 0, too.

Strongly nonlinear theory of rapid solidification near absolute stability

NASA Astrophysics Data System (ADS)

Kowal, Katarzyna N.; Altieri, Anthony L.; Davis, Stephen H.

2017-10-01

We investigate the nonlinear evolution of the morphological deformation of a solid-liquid interface of a binary melt under rapid solidification conditions near two absolute stability limits. The first of these involves the complete stabilization of the system to cellular instabilities as a result of large enough surface energy. We derive nonlinear evolution equations in several limits in this scenario and investigate the effect of interfacial disequilibrium on the nonlinear deformations that arise. In contrast to the morphological stability problem in equilibrium, in which only cellular instabilities appear and only one absolute stability boundary exists, in disequilibrium the system is prone to oscillatory instabilities and a second absolute stability boundary involving attachment kinetics arises. Large enough attachment kinetics stabilize the oscillatory instabilities. We derive a nonlinear evolution equation to describe the nonlinear development of the solid-liquid interface near this oscillatory absolute stability limit. We find that strong asymmetries develop with time. For uniform oscillations, the evolution equation for the interface reduces to the simple form f''+(βf')2+f =0 , where β is the disequilibrium parameter. Lastly, we investigate a distinguished limit near both absolute stability limits in which the system is prone to both cellular and oscillatory instabilities and derive a nonlinear evolution equation that captures the nonlinear deformations in this limit. Common to all these scenarios is the emergence of larger asymmetries in the resulting shapes of the solid-liquid interface with greater departures from equilibrium and larger morphological numbers. The disturbances additionally sharpen near the oscillatory absolute stability boundary, where the interface becomes deep-rooted. The oscillations are time-periodic only for small-enough initial amplitudes and their frequency depends on a single combination of physical parameters, including the morphological number, as well as the amplitude. The critical amplitude, at which solutions loose periodicity, depends on a single combination of parameters independent of the morphological number that indicate that non-periodic growth is most commonly present for moderate disequilibrium parameters. The spatial distribution of the interface develops deepening roots at late times. Similar spatial distributions are also seen in the limit in which both the cellular and oscillatory modes are close to absolute stability, and the roots deepen with larger departures from the two absolute stability boundaries.

Coronary calcium predicts events better with absolute calcium scores than age-sex-race/ethnicity percentiles: MESA (Multi-Ethnic Study of Atherosclerosis).

PubMed

Budoff, Matthew J; Nasir, Khurram; McClelland, Robyn L; Detrano, Robert; Wong, Nathan; Blumenthal, Roger S; Kondos, George; Kronmal, Richard A

2009-01-27

In this study, we aimed to establish whether age-sex-specific percentiles of coronary artery calcium (CAC) predict cardiovascular outcomes better than the actual (absolute) CAC score. The presence and extent of CAC correlates with the overall magnitude of coronary atherosclerotic plaque burden and with the development of subsequent coronary events. MESA (Multi-Ethnic Study of Atherosclerosis) is a prospective cohort study of 6,814 asymptomatic participants followed for coronary heart disease (CHD) events including myocardial infarction, angina, resuscitated cardiac arrest, or CHD death. Time to incident CHD was modeled with Cox regression, and we compared models with percentiles based on age, sex, and/or race/ethnicity to categories commonly used (0, 1 to 100, 101 to 400, 400+ Agatston units). There were 163 (2.4%) incident CHD events (median follow-up 3.75 years). Expressing CAC in terms of age- and sex-specific percentiles had significantly lower area under the receiver-operating characteristic curve (AUC) than when using absolute scores (women: AUC 0.73 versus 0.76, p = 0.044; men: AUC 0.73 versus 0.77, p < 0.001). Akaike's information criterion indicated better model fit with the overall score. Both methods robustly predicted events (>90th percentile associated with a hazard ratio [HR] of 16.4, 95% confidence interval [CI]: 9.30 to 28.9, and score >400 associated with HR of 20.6, 95% CI: 11.8 to 36.0). Within groups based on age-, sex-, and race/ethnicity-specific percentiles there remains a clear trend of increasing risk across levels of the absolute CAC groups. In contrast, once absolute CAC category is fixed, there is no increasing trend across levels of age-, sex-, and race/ethnicity-specific categories. Patients with low absolute scores are low-risk, regardless of age-, sex-, and race/ethnicity-specific percentile rank. Persons with an absolute CAC score of >400 are high risk, regardless of percentile rank. Using absolute CAC in standard groups performed better than age-, sex-, and race/ethnicity-specific percentiles in terms of model fit and discrimination. We recommend using cut points based on the absolute CAC amount, and the common CAC cut points of 100 and 400 seem to perform well.

Inherent Conservatism in Deterministic Quasi-Static Structural Analysis

NASA Technical Reports Server (NTRS)

Verderaime, V.

1997-01-01

The cause of the long-suspected excessive conservatism in the prevailing structural deterministic safety factor has been identified as an inherent violation of the error propagation laws when reducing statistical data to deterministic values and then combining them algebraically through successive structural computational processes. These errors are restricted to the applied stress computations, and because mean and variations of the tolerance limit format are added, the errors are positive, serially cumulative, and excessively conservative. Reliability methods circumvent these errors and provide more efficient and uniform safe structures. The document is a tutorial on the deficiencies and nature of the current safety factor and of its improvement and transition to absolute reliability.

PTP1B inhibitory and cytotoxic C-24 epimers of Δ28-24-hydroxy stigmastane-type steroids from the brown alga Dictyopteris undulata Holmes.

PubMed

Feng, Mei-Tang; Wang, Ting; Liu, Ai-Hong; Li, Jia; Yao, Li-Gong; Wang, Bin; Guo, Yue-Wei; Mao, Shui-Chun

2018-02-01

Ten stigmastane-type steroids bearing unusual Δ 28 -24-hydroxy side chains, dictyopterisins A-J, including three pairs of C-24 epimers, dictyopterisins B/C, F/G, and I/J, were isolated from the brown alga Dictyopteris undulata Holmes, together with two previously reported analogues, (24S)- and (24R)-saringosterol. Their structures were elucidated on the basis of extensive spectroscopic analysis, with their absolute configurations at the stereogenic center C-24 of the side chain being assigned by a direct comparison of 1 H NMR data with those of related known compounds. The absolute configurations of the steroidal nuclei of dictyopterisins A, B, and H were determined using the modified Mosher's method. The mixture of dictyopterisins D and E and dictyopterisin I exhibited promising PTP1B inhibitory activities with IC 50 values of 1.88 and 3.47 μM, respectively, comparable to the positive control oleanolic acid (IC 50 , 2.78 μM). In addition, the mixture of dictyopterisins D and E and dictyopterisins F-J displayed significant cytotoxicities against the human cancer cell lines HL-60 (IC 50 from 1.02 to 2.70 μM) and A-549 (IC 50 from 1.35 to 2.85 μM). Copyright © 2017 Elsevier Ltd. All rights reserved.

Absolute brightness modeling for improved measurement of electron temperature from soft x-rays on MST

NASA Astrophysics Data System (ADS)

Reusch, L. M.; Franz, P.; Goetz, J. A.; den Hartog, D. J.; Nornberg, M. D.; van Meter, P.

2017-10-01

The two-color soft x-ray tomography (SXT) diagnostic on MST is now capable of Te measurement down to 500 eV. The previous lower limit was 1 keV, due to the presence of SXR emission lines from Al sputtered from the MST wall. The two-color technique uses two filters of different thickness to form a coarse spectrometer to estimate the slope of the continuum x-ray spectrum, which depends on Te. The 1.6 - 2.0 keV Al emission lines were previously filtered out by using thick Be filters (400 µm and 800 µm), thus restricting the range of the SXT diagnostic to Te >= 1 keV. Absolute brightness modeling explicitly includes several sources of radiation in the analysis model, enabling the use of thinner filters and measurement of much lower Te. Models based on the atomic database and analysis structure (ADAS) agree very well with our experimental SXR measurements. We used ADAS to assess the effect of bremsstrahlung, recombination, dielectronic recombination, and line emission on the inferred Te. This assessment informed the choice of the optimum filter pair to extend the Te range of the SXT diagnostic. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences program under Award Numbers DE-FC02-05ER54814 and DE-SC0015474.

Demand Controlled Economizer Cycles: A Direct Digital Control Scheme for Heating, Ventilating, and Air Conditioning Systems,

DTIC Science & Technology

1984-05-01

Control Ignored any error of 1/10th degree or less. This was done by setting the error term E and the integral sum PREINT to zero If then absolute value of...signs of two errors jeq tdiff if equal, jump clr @preint else zero integal sum tdiff mov @diff,rl fetch absolute value of OAT-RAT ci rl,25 is...includes a heating coil and thermostatic control to maintain the air in this path at an elevated temperature, typically around 80 degrees Farenheit (80 F

Male Breast Cancer Incidence and Mortality Risk in the Japanese Atomic Bomb Survivors - Differences in Excess Relative and Absolute Risk from Female Breast Cancer.

PubMed

Little, Mark P; McElvenny, Damien M

2017-02-01

There are well-known associations of ionizing radiation with female breast cancer, and emerging evidence also for male breast cancer. In the United Kingdom, female breast cancer following occupational radiation exposure is among that set of cancers eligible for state compensation and consideration is currently being given to an extension to include male breast cancer. We compare radiation-associated excess relative and absolute risks of male and female breast cancers. Breast cancer incidence and mortality data in the Japanese atomic-bomb survivors were analyzed using relative and absolute risk models via Poisson regression. We observed significant (p ≤ 0.01) dose-related excess risk for male breast cancer incidence and mortality. For incidence and mortality data, there are elevations by factors of approximately 15 and 5, respectively, of relative risk for male compared with female breast cancer incidence, the former borderline significant (p = 0.050). In contrast, for incidence and mortality data, there are elevations by factors of approximately 20 and 10, respectively, of female absolute risk compared with male, both statistically significant (p < 0.001). There are no indications of differences between the sexes in age/time-since-exposure/age-at-exposure modifications to the relative or absolute excess risk. The probability of causation of male breast cancer following radiation exposure exceeds by at least a factor of 5 that of many other malignancies. There is evidence of much higher radiation-associated relative risk for male than for female breast cancer, although absolute excess risks for males are much less than for females. However, the small number of male cases and deaths suggests a degree of caution in interpretation of this finding. Citation: Little MP, McElvenny DM. 2017. Male breast cancer incidence and mortality risk in the Japanese atomic bomb survivors - differences in excess relative and absolute risk from female breast cancer. Environ Health Perspect 125:223-229; http://dx.doi.org/10.1289/EHP151.

Impact of Stock Market Structure on Intertrade Time and Price Dynamics

NASA Astrophysics Data System (ADS)

Yuen, Ainslie; Ivanov, Plamen Ch.

2005-08-01

The NYSE and NASDAQ stock markets have very different structures and there is continuing controversy over whether differences in stock price behaviour are due to market structure or company characteristics. As the influence of market structure on stock prices may be obscured by exogenous factors such as demand and supply, we hypothesize that modulation of the flow of transactions due to market operations may carry a stronger imprint of the internal market mechanism. We analyse times between consecutive transactions (ITT) for NYSE and NASDAQ stocks, and we relate the dynamical properties of the ITT with those of the corresponding price fluctuations. We find a robust scale-invariant temporal organisation in the ITT of stocks which is independent of individual company characteristics and industry sector, but which depends on market structure. We find that stocks registered on the NASDAQ exhibit stronger correlations in their transaction timing within a trading day, compared with NYSE stocks. Further, we find that companies that transfer from the NASDAQ to the NYSE show a reduction in the correlation strength of transaction timing within a trading day, after the move, suggesting influences of market structure. Surprisingly, we also observe that stronger power-law correlations in the ITT are coupled with stronger power-law correlations in absolute price returns and higher price volatility, suggesting a strong link between the dynamical properties of ITT and the corresponding price fluctuations over a broad range of time scales. Comparing the NYSE and NASDAQ, we demonstrate that the higher correlations we find in ITT for NASDAQ stocks are matched by higher correlations in absolute price returns and by higher volatility, suggesting that market structure may affect price behaviour through information contained in transaction timing.

Longitudinal Validation of General and Specific Structural Features of Personality Pathology

PubMed Central

Wright, Aidan G.C.; Hopwood, Christopher J.; Skodol, Andrew E.; Morey, Leslie C.

2016-01-01

Theorists have long argued that personality disorder (PD) is best understood in terms of general impairments shared across the disorders as well as more specific instantiations of pathology. A model based on this theoretical structure was proposed as part of the DSM-5 revision process. However, only recently has this structure been subjected to formal quantitative evaluation, with little in the way of validation efforts via external correlates or prospective longitudinal prediction. We used the Collaborative Longitudinal Study of Personality Disorders dataset to: (1) estimate structural models that parse general from specific variance in personality disorder features, (2) examine patterns of growth in general and specific features over the course of 10 years, and (3) establish concurrent and dynamic longitudinal associations in PD features and a host of external validators including basic personality traits and psychosocial functioning scales. We found that general PD exhibited much lower absolute stability and was most strongly related to broad markers of psychosocial functioning, concurrently and longitudinally, whereas specific features had much higher mean stability and exhibited more circumscribed associations with functioning. However, both general and specific factors showed recognizable associations with normative and pathological traits. These results can inform efforts to refine the conceptualization and diagnosis of personality pathology. PMID:27819472

Energy expenditure and intake during puberty in healthy nonobese adolescents: a systematic review.

PubMed

Cheng, Hoi Lun; Amatoury, Mazen; Steinbeck, Katharine

2016-10-01

Puberty is a time of rapid growth and changing energy requirements and is a risk period for obesity. There is little high-quality evidence on the pubertal alterations of energy expenditure and intake, and this has limited our understanding of energy balance during this important life stage. The purpose of this study was to summarize existing evidence on pubertal energy expenditure and intake in healthy nonobese adolescents. Studies were identified through CINAHL, the Cochrane Library, Embase, MEDLINE, and Web of Science databases up to August 2015. Articles presenting objectively measured data for basal or resting metabolic rate (BMR/RMR), total daily energy expenditure (TDEE), and/or energy intake (EI) for ≥2 categories of puberty were included. Relevant data adjusted for fat-free mass (FFM) also were extracted. Data were dichotomized into prepubertal and pubertal groups and compared through the use of standardized mean differences (SMDs). Heterogeneous study methodologies precluded meta-analysis. The search netted 6770 articles, with 12 included for review. From these, 6 of 9 studies supported significantly higher absolute BMR/RMR during puberty (SMD: 1.10-5.93), and all of the studies favored significantly higher absolute TDEE during puberty (SMD: 0.46-9.55). These corresponded to a 12% difference and an 18% difference in absolute BMR/RMR and TDEE, respectively. Results adjusted for FFM were equivocal, with 3 studies favoring higher (1 significantly) and 3 favoring significantly lower adjusted BMR/RMR during puberty. Only 1 study reported EI, showing 41% and 25% greater absolute intakes in pubertal males and females, respectively. These differences were not significant after adjustment for FFM. Reasonably consistent evidence exists to support higher absolute BMR/RMR and TDEE in pubertal than in prepubertal adolescents. Differences are largely accounted for by FFM, among other potential factors such as growth- and puberty-related hormones. This review argues for further research into hormonal influences on pubertal energy balance and subsequent effects on obesity risk. © 2016 American Society for Nutrition.

Experimental investigation for an isolation technique on conducting the electromechanical impedance method in high-temperature pipeline facilities

NASA Astrophysics Data System (ADS)

Na, Wongi S.; Lee, Hyeonseok

2016-11-01

In general, the pipelines within a nuclear power plant facility may experience high temperatures up to several hundred degrees. Thus it is absolutely vital to monitor these pipes to prevent leakage of radioactive substances which may lead to a catastrophic outcome of the surrounding environment. Over the years, one of the structural health monitoring technique known as the electromechanical impedance (EMI) technique has been of great interests in various fields including civil infrastructures, mechanical and aerospace structures. Although it has one of the best advantages to be able for a single piezoelectric transducer to act as a sensor and an actuator, simultaneously, its low curie temperature makes it difficult for the EMI technique to be conducted at high temperature environment. To overcome this problem, this study shows a method to avoid attaching the piezoelectric transducer directly onto the target structure using a metal wire for damage detection at high temperature. By shifting the frequency to compensate the signature changes subjected to the variations in temperature, the experimental results indicate that damage identification is more successful above 200 oC, making the metal wire method suitable for the EMI technique at high temperature environment.

Brain architecture and social complexity in modern and ancient birds.

PubMed

Burish, Mark J; Kueh, Hao Yuan; Wang, Samuel S-H

2004-01-01

Vertebrate brains vary tremendously in size, but differences in form are more subtle. To bring out functional contrasts that are independent of absolute size, we have normalized brain component sizes to whole brain volume. The set of such volume fractions is the cerebrotype of a species. Using this approach in mammals we previously identified specific associations between cerebrotype and behavioral specializations. Among primates, cerebrotypes are linked principally to enlargement of the cerebral cortex and are associated with increases in the complexity of social structure. Here we extend this analysis to include a second major vertebrate group, the birds. In birds the telencephalic volume fraction is strongly correlated with social complexity. This correlation accounts for almost half of the observed variation in telencephalic size, more than any other behavioral specialization examined, including the ability to learn song. A prominent exception to this pattern is owls, which are not social but still have very large forebrains. Interpolating the overall correlation for Archaeopteryx, an ancient bird, suggests that its social complexity was likely to have been on a par with modern domesticated chickens. Telencephalic volume fraction outperforms residuals-based measures of brain size at separating birds by social structure. Telencephalic volume fraction may be an anatomical substrate for social complexity, and perhaps cognitive ability, that can be generalized across a range of vertebrate brains, including dinosaurs. Copyright 2004 S. Karger AG, Basel

An Ap-Structure with Finslerian Flavor I:. the Principal Idea

NASA Astrophysics Data System (ADS)

Wanas, M. I.

A geometric structure (FAP-structure), having both absolute parallelism and Finsler properties, is constructed. The building blocks of this structure are assumed to be functions of position and direction. A nonlinear connection emerges naturally and is defined in terms of the building blocks of the structure. Two linear connections, one of Berwald type and the other of the Cartan type, are defined using the nonlinear connection of the FAP. Both linear connections are nonsymmetric and consequently admit torsion. A metric tensor is defined in terms of the building blocks of the structure. The condition for this metric to be a Finslerian one is obtained. Also, the condition for an FAP-space to be an AP-one is given.

Method and apparatus for ultra-high-sensitivity, incremental and absolute optical encoding

NASA Technical Reports Server (NTRS)

Leviton, Douglas B. (Inventor)

1999-01-01

An absolute optical linear or rotary encoder which encodes the motion of an object (3) with increased resolution and encoding range and decreased sensitivity to damage to the scale includes a scale (5), which moves with the object and is illuminated by a light source (11). The scale carries a pattern (9) which is imaged by a microscope optical system (13) on a CCD array (17) in a camera head (15). The pattern includes both fiducial markings (31) which are identical for each period of the pattern and code areas (33) which include binary codings of numbers identifying the individual periods of the pattern. The image of the pattern formed on the CCD array is analyzed by an image processor (23) to locate the fiducial marking, decode the information encoded in the code area, and thereby determine the position of the object.

Comparison of NTF Experimental Data with CFD Predictions from the Third AIAA CFD Drag Prediction Workshop

NASA Technical Reports Server (NTRS)

Vassberg, John C.; Tinoco, Edward N.; Mani, Mori; Levy, David; Zickuhr, Tom; Mavriplis, Dimitri J.; Wahls, Richard A.; Morrison, Joseph H.; Brodersen, Olaf P.; Eisfeld, Bernhard;

Is One Trial Sufficient to Obtain Excellent Pressure Pain Threshold Reliability in the Low Back of Asymptomatic Individuals? A Test-Retest Study.

PubMed

Balaguier, Romain; Madeleine, Pascal; Vuillerme, Nicolas

2016-01-01

The assessment of pressure pain threshold (PPT) provides a quantitative value related to the mechanical sensitivity to pain of deep structures. Although excellent reliability of PPT has been reported in numerous anatomical locations, its absolute and relative reliability in the lower back region remains to be determined. Because of the high prevalence of low back pain in the general population and because low back pain is one of the leading causes of disability in industrialized countries, assessing pressure pain thresholds over the low back is particularly of interest. The purpose of this study study was (1) to evaluate the intra- and inter- absolute and relative reliability of PPT within 14 locations covering the low back region of asymptomatic individuals and (2) to determine the number of trial required to ensure reliable PPT measurements. Fifteen asymptomatic subjects were included in this study. PPTs were assessed among 14 anatomical locations in the low back region over two sessions separated by one hour interval. For the two sessions, three PPT assessments were performed on each location. Reliability was assessed computing intraclass correlation coefficients (ICC), standard error of measurement (SEM) and minimum detectable change (MDC) for all possible combinations between trials and sessions. Bland-Altman plots were also generated to assess potential bias in the dataset. Relative reliability for both intra- and inter- session was almost perfect with ICC ranged from 0.85 to 0.99. With respect to the intra-session, no statistical difference was reported for ICCs and SEM regardless of the conducted comparisons between trials. Conversely, for inter-session, ICCs and SEM values were significantly larger when two consecutive PPT measurements were used for data analysis. No significant difference was observed for the comparison between two consecutive measurements and three measurements. Excellent relative and absolute reliabilities were reported for both intra- and inter-session. Reliable measurements can be equally achieved when using the mean of two or three consecutive PPT measurements, as usually proposed in the literature, or with only the first one. Although reliability was almost perfect regardless of the conducted comparison between PPT assessments, our results suggest using two consecutive measurements to obtain higher short term absolute reliability.

Plate and Plume Flux: Constraints for paleomagnetic reference frames and interpretation of deep mantle seismic heterogeneity. (Invited)

NASA Astrophysics Data System (ADS)

Bunge, H.; Schuberth, B. S.; Shephard, G. E.; Müller, D.

2010-12-01

Plate and plume flow are dominant modes of mantle convection, as pointed out by Geoff Davies early on. Driven, respectively, from a cold upper and a hot lower thermal boundary layer these modes are now sufficiently well imaged by seismic tomographers to exploit the thermal boundary layer concept as an effective tool in exploring two long standing geodynamic problems. One relates to the choice of an absolute reference frame in plate tectonic reconstructions. Several absolute reference frames have been proposed over the last decade, including those based on hotspot tracks displaying age progression and assuming either fixity or motion, as well as palaeomagnetically-based reference frames, a subduction reference frame and hybrid versions. Each reference frame implies a particular history of the location of subduction zones through time and thus the evolution of mantle heterogeneity via mixing of subducted slab material in the mantle. Here we compare five alternative absolute plate motion models in terms of their consequences for deep mantle structure. Taking global paleo-plate boundaries and plate velocities back to 140 Ma derived from the new plate tectonic reconstruction software GPlates and assimilating them into vigorous 3-D spherical mantle circulation models, we infer geodynamic mantle heterogeneity and compare it to seismic tomography for each absolute rotation model. We also focus on the challenging problem of interpreting deep mantle seismic heterogeneity in terms of thermal and compositional variations. Using published thermodynamically self-consistent mantle mineralogy models in the pyrolite composition, we find strong plume flux from the CMB, with a high temperature contrast (on the order of 1000 K) across the lower thermal boundary layer is entirely sufficient to explain elastic heterogeneity in the deep mantle for a number of quantitative measures. A high excess temperatures of +1000--1500 K for plumes in the lowermost mantle is particularly important in understanding the strong seismic velocity reduction mapped by tomography in low-velocity bodies of the deep mantle, as this produces significant negative anomalies of shear wave velocity of up to -4%. We note, however, that our results do not account for the curious observation of seismic anti-correlation, which appears difficult to explain in any case. Our results provide important constraints for the integration of plate tectonics and mantle dynamics and their use in forward and inverse geodynamic mantle models.

Male breast cancer incidence and mortality risk in the Japanese atomic bomb survivors – Differences in excess relative and absolute risk from female breast cancer

DOE PAGES

Little, Mark P.; McElvenny, Damien M.

2016-06-10

There are well-known associations of ionizing radiation with female breast cancer, and emerging evidence also for male breast cancer. In the UK, female breast cancer following occupational radiation exposure is among that set of cancers eligible for state compensation and consideration is currently being given to an extension to include male breast cancer. The objectives here, compare radiation-associated excess relative and absolute risks of male and female breast cancers. Breast cancer incidence and mortality data in the Japanese atomic-bomb survivors were analyzed using relative and absolute risk models via Poisson regression. As a result, we observed significant ( p≤ 0.01)more » dose-related excess risk for male breast cancer incidence and mortality. For incidence and mortality data, there are approximate 15-fold and 5- fold elevations, respectively, of relative risk for male compared with female breast cancer incidence, the former borderline significant (p = 0.050). In contrast, for incidence and mortality data there are approximate 20-fold and 10-fold elevations, respectively, of female absolute risk compared with male, both statistically significant (p < 0.001). There are no indications of differences between the sexes in age/time-since-exposure/age-at-exposure modifications to the relative or absolute excess risk. The probability of causation of male breast cancer following radiation exposure exceeds by at least 5-fold that of many other malignancies. In conclusion, there is evidence of much higher radiation-associated relative risk for male than for female breast cancer, although absolute excess risks for males are much less than for females. However, the small number of male cases and deaths suggests a degree of caution in interpretation of this finding.« less

Standardization approaches in absolute quantitative proteomics with mass spectrometry.

PubMed

Calderón-Celis, Francisco; Encinar, Jorge Ruiz; Sanz-Medel, Alfredo

2017-07-31

Mass spectrometry-based approaches have enabled important breakthroughs in quantitative proteomics in the last decades. This development is reflected in the better quantitative assessment of protein levels as well as to understand post-translational modifications and protein complexes and networks. Nowadays, the focus of quantitative proteomics shifted from the relative determination of proteins (ie, differential expression between two or more cellular states) to absolute quantity determination, required for a more-thorough characterization of biological models and comprehension of the proteome dynamism, as well as for the search and validation of novel protein biomarkers. However, the physico-chemical environment of the analyte species affects strongly the ionization efficiency in most mass spectrometry (MS) types, which thereby require the use of specially designed standardization approaches to provide absolute quantifications. Most common of such approaches nowadays include (i) the use of stable isotope-labeled peptide standards, isotopologues to the target proteotypic peptides expected after tryptic digestion of the target protein; (ii) use of stable isotope-labeled protein standards to compensate for sample preparation, sample loss, and proteolysis steps; (iii) isobaric reagents, which after fragmentation in the MS/MS analysis provide a final detectable mass shift, can be used to tag both analyte and standard samples; (iv) label-free approaches in which the absolute quantitative data are not obtained through the use of any kind of labeling, but from computational normalization of the raw data and adequate standards; (v) elemental mass spectrometry-based workflows able to provide directly absolute quantification of peptides/proteins that contain an ICP-detectable element. A critical insight from the Analytical Chemistry perspective of the different standardization approaches and their combinations used so far for absolute quantitative MS-based (molecular and elemental) proteomics is provided in this review. © 2017 Wiley Periodicals, Inc.

The role of serum non-cholesterol sterols as surrogate markers of absolute cholesterol synthesis and absorption.

PubMed

Miettinen, T A; Gylling, H; Nissinen, M J

2011-10-01

To study the whole-body cholesterol metabolism in man, cholesterol synthesis and absorption need to be measured. Because of the complicated methods of the measurements, new approaches were developed including the analysis of serum non-cholesterol sterols. In current lipidologic papers and even in intervention studies, serum non-cholesterol sterols are frequently used as surrogate markers of cholesterol metabolism without any validation to the absolute metabolic variables. The present review compares serum non-cholesterol sterols with absolute measurements of cholesterol synthesis and absorption in published papers to find out whether the serum markers are valid indicators of cholesterol metabolism in various conditions. During statin treatment, during interventions of dietary fat, and in type 2 diabetes the relative and absolute variables of cholesterol synthesis and absorption were frequently but not constantly correlated with each other. In some occasions, especially in subjects with apolipoprotein E3/4 and E4/4 phenotypes, the relative metabolic markers were even more sensitive than the absolute ones to reflect changes in cholesterol metabolism during dietary interventions. Even in general population at very high absorption the homeostasis of cholesterol metabolism is disturbed damaging the validity of the serum markers. It is worth using several instead of only one precursor and absorption sterol marker for making conclusions of altered synthesis or absorption of cholesterol, and even then the presence of at least some absolute measurement is valuable. During consumption of plant sterol-enriched diets and in situations of interfered cholesterol homeostasis the relative markers do not adequately reflect cholesterol metabolism. Accordingly, the validity of the relative markers of cholesterol metabolism should not be considered as self-evident. Copyright © 2011 Elsevier B.V. All rights reserved.

On the correct representation of bending and axial deformation in the absolute nodal coordinate formulation with an elastic line approach

NASA Astrophysics Data System (ADS)

Gerstmayr, Johannes; Irschik, Hans

2008-12-01

In finite element methods that are based on position and slope coordinates, a representation of axial and bending deformation by means of an elastic line approach has become popular. Such beam and plate formulations based on the so-called absolute nodal coordinate formulation have not yet been verified sufficiently enough with respect to analytical results or classical nonlinear rod theories. Examining the existing planar absolute nodal coordinate element, which uses a curvature proportional bending strain expression, it turns out that the deformation does not fully agree with the solution of the geometrically exact theory and, even more serious, the normal force is incorrect. A correction based on the classical ideas of the extensible elastica and geometrically exact theories is applied and a consistent strain energy and bending moment relations are derived. The strain energy of the solid finite element formulation of the absolute nodal coordinate beam is based on the St. Venant-Kirchhoff material: therefore, the strain energy is derived for the latter case and compared to classical nonlinear rod theories. The error in the original absolute nodal coordinate formulation is documented by numerical examples. The numerical example of a large deformation cantilever beam shows that the normal force is incorrect when using the previous approach, while a perfect agreement between the absolute nodal coordinate formulation and the extensible elastica can be gained when applying the proposed modifications. The numerical examples show a very good agreement of reference analytical and numerical solutions with the solutions of the proposed beam formulation for the case of large deformation pre-curved static and dynamic problems, including buckling and eigenvalue analysis. The resulting beam formulation does not employ rotational degrees of freedom and therefore has advantages compared to classical beam elements regarding energy-momentum conservation.

Male breast cancer incidence and mortality risk in the Japanese atomic bomb survivors – Differences in excess relative and absolute risk from female breast cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Little, Mark P.; McElvenny, Damien M.

There are well-known associations of ionizing radiation with female breast cancer, and emerging evidence also for male breast cancer. In the UK, female breast cancer following occupational radiation exposure is among that set of cancers eligible for state compensation and consideration is currently being given to an extension to include male breast cancer. The objectives here, compare radiation-associated excess relative and absolute risks of male and female breast cancers. Breast cancer incidence and mortality data in the Japanese atomic-bomb survivors were analyzed using relative and absolute risk models via Poisson regression. As a result, we observed significant ( p≤ 0.01)more » dose-related excess risk for male breast cancer incidence and mortality. For incidence and mortality data, there are approximate 15-fold and 5- fold elevations, respectively, of relative risk for male compared with female breast cancer incidence, the former borderline significant (p = 0.050). In contrast, for incidence and mortality data there are approximate 20-fold and 10-fold elevations, respectively, of female absolute risk compared with male, both statistically significant (p < 0.001). There are no indications of differences between the sexes in age/time-since-exposure/age-at-exposure modifications to the relative or absolute excess risk. The probability of causation of male breast cancer following radiation exposure exceeds by at least 5-fold that of many other malignancies. In conclusion, there is evidence of much higher radiation-associated relative risk for male than for female breast cancer, although absolute excess risks for males are much less than for females. However, the small number of male cases and deaths suggests a degree of caution in interpretation of this finding.« less

Swimming Between: An Examination of the Inherent Complexity within Social Justice

ERIC Educational Resources Information Center

Aguilar, Israel; Nelson, Sarah; Niño, Juan Manuel

2016-01-01

Classrooms tend to be absolute spaces, places where fluidity is rejected and nearly everything--from people, to ideas, to practices and policies--is viewed and organized through binary logic. Because binary logic is implicitly accepted as the natural order in schools and the structures resulting from it are highly unmalleable, individuals who…

Innovative Strategies for Financial Management in Nigerian Public Secondary Schools

ERIC Educational Resources Information Center

Sofoluwe, Abayomi Olu

2012-01-01

Education is the cornerstone of a nation's culture and an absolute necessity for economic prosperity and development. There is hardly any household in this country that is not concerned about the state of our education system particularly the secondary system. The structure is in a deplorable condition. Teachers are demoralized and disenchanted,…

What to Do about Zero Frequency Cells when Estimating Polychoric Correlations

ERIC Educational Resources Information Center

Savalei, Victoria

2011-01-01

Categorical structural equation modeling (SEM) methods that fit the model to estimated polychoric correlations have become popular in the social sciences. When population thresholds are high in absolute value, contingency tables in small samples are likely to contain zero frequency cells. Such cells make the estimation of the polychoric…

Issues of Stability and Change in Interest Development

ERIC Educational Resources Information Center

Tracey, Terence J. G.; Sodano, Sandro M.

2008-01-01

Interest development is not an easily studied process. There are at least 4 methods for examining the process of stability and change over time: relative stability, absolute stability, profile stability, and structural stability. A program of research that focuses on examining these 4 types of stability is summarized relative to the issues…

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015

NASA Astrophysics Data System (ADS)

Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano

2016-09-01

Structure-based drug design (SBDD) has matured within the last two decades as a valuable tool for the optimization of low molecular weight lead compounds to highly potent drugs. The key step in SBDD requires knowledge of the three-dimensional structure of the target-ligand complex, which is usually determined by X-ray crystallography. In the absence of structural information for the complex, SBDD relies on the generation of plausible molecular docking models. However, molecular docking protocols suffer from inaccuracies in the description of the interaction energies between the ligand and the target molecule, and often fail in the prediction of the correct binding mode. In this context, the appropriate selection of the most accurate docking protocol is absolutely relevant for the final molecular docking result, even if addressing this point is absolutely not a trivial task. D3R Grand Challenge 2015 has represented a precious opportunity to test the performance of DockBench, an integrate informatics platform to automatically compare RMDS-based molecular docking performances of different docking/scoring methods. The overall performance resulted in the blind prediction are encouraging in particular for the pose prediction task, in which several complex were predicted with a sufficient accuracy for medicinal chemistry purposes.

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.

PubMed

Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano

2016-09-01

Structure-based drug design (SBDD) has matured within the last two decades as a valuable tool for the optimization of low molecular weight lead compounds to highly potent drugs. The key step in SBDD requires knowledge of the three-dimensional structure of the target-ligand complex, which is usually determined by X-ray crystallography. In the absence of structural information for the complex, SBDD relies on the generation of plausible molecular docking models. However, molecular docking protocols suffer from inaccuracies in the description of the interaction energies between the ligand and the target molecule, and often fail in the prediction of the correct binding mode. In this context, the appropriate selection of the most accurate docking protocol is absolutely relevant for the final molecular docking result, even if addressing this point is absolutely not a trivial task. D3R Grand Challenge 2015 has represented a precious opportunity to test the performance of DockBench, an integrate informatics platform to automatically compare RMDS-based molecular docking performances of different docking/scoring methods. The overall performance resulted in the blind prediction are encouraging in particular for the pose prediction task, in which several complex were predicted with a sufficient accuracy for medicinal chemistry purposes.

[Time and temporality in gerontology and the ontologic privation theory of biological aging].

PubMed

Kment, A

1989-01-01

We have seen how our conception of time has changed in the course of the years. Up to the beginning of this century people believed in absolute time. According to today's views, time and temporality do not consist of a continuous flow of time successions, as generally assumed, the essence lies in the inner character of events. Therefore, in order to comprehend the true nature of time and temporality in gerontology, we must pay particular attention to the constitutional structures of events or happenings. Here we must comprehend the implication of an ontological change and the constitutions of time as metaphysical structure. Time and temporality are measured in happenings and processes, and not vice versa. Whitehead, showed that we are concerned with an ontological interpretation of time and temporality. The biodynamics of an individual reveal the largely autonomous structure and bionomy of the processes of life, as well as the continuous interaction and shifts of the biological cycles of formation, change, and decline. The ontological privation of biological aging and death are just as much a part of life as conception and birth. Only what lives can mature, age, and die. The imminent "purpose" of the biological aging of the individual is dying and death, i.e., the return home into "absolute being".

Incorporation of beams into bossed diaphragm for a high sensitivity and overload micro pressure sensor

NASA Astrophysics Data System (ADS)

Yu, Zhongliang; Zhao, Yulong; Sun, Lu; Tian, Bian; Jiang, Zhuangde

2013-01-01

The paper presents a piezoresistive absolute micro pressure sensor, which is of great benefits for altitude location. In this investigation, the design, fabrication, and test of the sensor are involved. By analyzing the stress distribution of sensitive elements using finite element method, a novel structure through the introduction of sensitive beams into traditional bossed diaphragm is built up. The proposed configuration presents its advantages in terms of high sensitivity and high overload resistance compared with the conventional bossed diaphragm and flat diaphragm structures. Curve fittings of surface stress and deflection based on ANSYS simulation results are performed to establish the equations about the sensor. Nonlinear optimization by MATLAB is carried out to determine the structure dimensions. The output signals in both static and dynamic environments are evaluated. Silicon bulk micromachining technology is utilized to fabricate the sensor prototype, and the fabrication process is discussed. Experimental results demonstrate the sensor features a high sensitivity of 11.098 μV/V/Pa in the operating range of 500 Pa at room temperature, and a high overload resistance of 200 times overpressure to promise its survival under atmosphere. Due to the excellent performance above, the sensor can be applied in measuring the absolute micro pressure lower than 500 Pa.

One new and nine known flavonoids from Choerospondias axillaries and their in vitro antitumor, anti-hypoxia and antibacterial activities.

PubMed

Li, Chang-Wei; Cui, Cheng-Bin

2014-12-19

In the present study, a new flavanoid 1, together with nine known ones 2-10 were isolated from the stem bark of Choerospondias axillaries, the fruit of which was used mainly for treatment of cardiovascular diseases in China. The structure of 1 was established on the basis of its extensive spectral data, and the absolute structures of 1 and 10 were determined by their CD data. The absolute structure of 10 was established for the first time. Among the obtained compounds, 5-8 inhibited the proliferation of K562 cells with inhibition rates of 26.6%, 65.7%, 40.4% and 45.6% at 100 µg/mL; 1 and 4-10 showed significant protective effects on anoxia-induced injury in cultured ECV304 or PC12 cells at 50 µg/mL; 8 and 9 showed antibacterial effects on Staphylococcus aureus ATCC6538 at the tested concentration of 150 µg/8 mm paper disc. Compounds 2 and 4-10 were isolated for the first time from this genus. The proliferation inhibiting activities of 7 and 8, the anti-hypoxia activities of 1 and 4-10, and the antibacterial effect of 8 and 9 on Staphylococcus aureus ATCC6538 are reported here for the first time.

Isobaric tags for relative and absolute quantitation (iTRAQ)-based proteomic analysis of Cryptococcus humicola response to aluminum stress.

PubMed

Zhang, Jingjing; Zhang, Lei; Qiu, Jinkui; Nian, Hongjuan

2015-10-01

Cryptococcus humicola is a highly aluminum (Al) tolerant yeast strain isolated from a tea field. Here the relative changes of protein expression in C. humicola undergoing aluminum stress were analyzed to understand the genetic basis of aluminum tolerance. In this work, iTRAQ-based (isobaric tags for relative and absolute quantification) quantitative proteomic technology was used to detect statistically significant proteins associated with the response to aluminum stress. A total of 625 proteins were identified and were mainly involved in translation/ribosomal structure and biogenesis, posttranslational modification/protein turnover/chaperones, energy production and conversion, and amino acid transport and metabolism. Of these proteins, 59 exhibited differential expression during aluminum stress. Twenty-nine proteins up-regulated by aluminum were mainly involved in translation/ribosomal structure and biogenesis, posttranslational modification/protein turnover and chaperones, and lipid transport and metabolism. Thirty proteins down-regulated by aluminum were mainly associated with energy transport and metabolism, translation/ribosomal structure and biogenesis, posttranslational modification/protein turnover/chaperones, and lipid transport and metabolism. The potential functions of some proteins in aluminum tolerance are discussed. These functional changes may be beneficial for cells to protect themselves from aluminum toxic conditions. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetra­methyl-3a,6,7,7a,3′a,6′,7′,7′a-octa­hydro-4,4′-bi[1,3-benzodioxol­yl], obtained from a Pd-catalyzed homocoupling reaction

PubMed Central

Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Silveira, Gustavo P.; Vilela, Guilherme D.; Suescun, Leopoldo

2017-01-01

The absolute configuration, i.e. (3aR,3′aR,7aS,7′aS), of the title compound, C18H26O4, synthesized via a palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled mol­ecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supra­molecular assembly is controlled mainly by C—H⋯O inter­actions that lead to the formation of hydrogen-bonded chains of mol­ecules along the [001] direction, while weak dipolar inter­actions and van der Waals forces hold the chains together in the crystal structure. PMID:28083142

Relationship of magnetic field strength and brightness of fine-structure elements in the solar temperature minimum region

NASA Technical Reports Server (NTRS)

Cook, J. W.; Ewing, J. A.

1990-01-01

A quantitative relationship was determined between magnetic field strength (or magnetic flux) from photospheric magnetograph observations and the brightness temperature of solar fine-structure elements observed at 1600 A, where the predominant flux source is continuum emission from the solar temperature minimum region. A Kitt Peak magnetogram and spectroheliograph observations at 1600 A taken during a sounding rocket flight of the High Resolution Telescope and Spectrograph from December 11, 1987 were used. The statistical distributions of brightness temperature in the quiet sun at 1600 A, and absolute value of magnetic field strength in the same area were determined from these observations. Using a technique which obtains the best-fit relationship of a given functional form between these two histogram distributions, a quantitative relationship was determined between absolute value of magnetic field strength B and brightness temperature which is essentially linear from 10 to 150 G. An interpretation is suggested, in which a basal heating occurs generally, while brighter elements are produced in magnetic regions with temperature enhancements proportional to B.

High resolution absolute absorption cross sections of the B ̃(1)A'-X ̃(1)A' transition of the CH2OO biradical.

PubMed

Foreman, Elizabeth S; Kapnas, Kara M; Jou, YiTien; Kalinowski, Jarosław; Feng, David; Gerber, R Benny; Murray, Craig

2015-12-28

Carbonyl oxides, or Criegee intermediates, are formed from the gas phase ozonolysis of alkenes and play a pivotal role in night-time and urban area atmospheric chemistry. Significant discrepancies exist among measurements of the strong B ̃(1)A'-X ̃(1)A' electronic transition of the simplest Criegee intermediate, CH2OO in the visible/near-UV. We report room temperature spectra of the B ̃(1)A'-X ̃(1)A' electronic absorption band of CH2OO acquired at higher resolution using both single-pass broadband absorption and cavity ring-down spectroscopy. The new absorption spectra confirm the vibrational structure on the red edge of the band that is absent from ionization depletion measurements. The absolute absorption cross sections over the 362-470 nm range are in good agreement with those reported by Ting et al. Broadband absorption spectra recorded over the temperature range of 276-357 K were identical within their mutual uncertainties, confirming that the vibrational structure is not due to hot bands.

Attitude Toward Ambiguity: Empirically Robust Factors in Self-Report Personality Scales.

PubMed

Lauriola, Marco; Foschi, Renato; Mosca, Oriana; Weller, Joshua

2016-06-01

Two studies were conducted to examine the factor structure of attitude toward ambiguity, a broad personality construct that refers to personal reactions to perceived ambiguous stimuli in a variety of context and situations. Using samples from two countries, Study 1 mapped the hierarchical structure of 133 items from seven tolerance-intolerance of ambiguity scales (N = 360, Italy; N = 306, United States). Three major factors-Discomfort with Ambiguity, Moral Absolutism/Splitting, and Need for Complexity and Novelty-were recovered in each country with high replicability coefficients across samples. In Study 2 (N = 405, Italian community sample; N =366, English native speakers sample), we carried out a confirmatory analysis on selected factor markers. A bifactor model had an acceptable fit for each sample and reached the construct-level invariance for general and group factors. Convergent validity with related traits was assessed in both studies. We conclude that attitude toward ambiguity can be best represented a multidimensional construct involving affective (Discomfort with Ambiguity), cognitive (Moral Absolutism/Splitting), and epistemic (Need for Complexity and Novelty) components. © The Author(s) 2015.

Estimation of the lower flammability limit of organic compounds as a function of temperature.

PubMed

Rowley, J R; Rowley, R L; Wilding, W V

2011-02-15

A new method of estimating the lower flammability limit (LFL) of general organic compounds is presented. The LFL is predicted at 298 K for gases and the lower temperature limit for solids and liquids from structural contributions and the ideal gas heat of formation of the fuel. The average absolute deviation from more than 500 experimental data points is 10.7%. In a previous study, the widely used modified Burgess-Wheeler law was shown to underestimate the effect of temperature on the lower flammability limit when determined in a large-diameter vessel. An improved version of the modified Burgess-Wheeler law is presented that represents the temperature dependence of LFL data determined in large-diameter vessels more accurately. When the LFL is estimated at increased temperatures using a combination of this model and the proposed structural-contribution method, an average absolute deviation of 3.3% is returned when compared with 65 data points for 17 organic compounds determined in an ASHRAE-style apparatus. Copyright © 2010 Elsevier B.V. All rights reserved.

Absolute comparison of simulated and experimental protein-folding dynamics

NASA Astrophysics Data System (ADS)

Snow, Christopher D.; Nguyen, Houbi; Pande, Vijay S.; Gruebele, Martin

2002-11-01

Protein folding is difficult to simulate with classical molecular dynamics. Secondary structure motifs such as α-helices and β-hairpins can form in 0.1-10µs (ref. 1), whereas small proteins have been shown to fold completely in tens of microseconds. The longest folding simulation to date is a single 1-µs simulation of the villin headpiece; however, such single runs may miss many features of the folding process as it is a heterogeneous reaction involving an ensemble of transition states. Here, we have used a distributed computing implementation to produce tens of thousands of 5-20-ns trajectories (700µs) to simulate mutants of the designed mini-protein BBA5. The fast relaxation dynamics these predict were compared with the results of laser temperature-jump experiments. Our computational predictions are in excellent agreement with the experimentally determined mean folding times and equilibrium constants. The rapid folding of BBA5 is due to the swift formation of secondary structure. The convergence of experimentally and computationally accessible timescales will allow the comparison of absolute quantities characterizing in vitro and in silico (computed) protein folding.

Auditory processing in absolute pitch possessors

NASA Astrophysics Data System (ADS)

McKetton, Larissa; Schneider, Keith A.

2018-05-01

Absolute pitch (AP) is a rare ability in classifying a musical pitch without a reference standard. It has been of great interest to researchers studying auditory processing and music cognition since it is seldom expressed and sheds light on influences pertaining to neurodevelopmental biological predispositions and the onset of musical training. We investigated the smallest frequency that could be detected or just noticeable difference (JND) between two pitches. Here, we report significant differences in JND thresholds in AP musicians and non-AP musicians compared to non-musician control groups at both 1000 Hz and 987.76 Hz testing frequencies. Although the AP-musicians did better than non-AP musicians, the difference was not significant. In addition, we looked at neuro-anatomical correlates of musicianship and AP using structural MRI. We report increased cortical thickness of the left Heschl's Gyrus (HG) and decreased cortical thickness of the inferior frontal opercular gyrus (IFO) and circular insular sulcus volume (CIS) in AP compared to non-AP musicians and controls. These structures may therefore be optimally enhanced and reduced to form the most efficient network for AP to emerge.

Histone deacetylase inhibitors: Potential in cancer therapy.

PubMed

Marks, P A; Xu, W-S

2009-07-01

The role of histone deacetylases (HDAC) and the potential of these enzymes as therapeutic targets for cancer, neurodegenerative diseases and a number of other disorders is an area of rapidly expanding investigation. There are 18 HDACs in humans. These enzymes are not redundant in function. Eleven of the HDACs are zinc dependent, classified on the basis of homology to yeast HDACs: Class I includes HDACs 1, 2, 3, and 8; Class IIA includes HDACs 4, 5, 7, and 9; Class IIB, HDACs 6 and 10; and Class IV, HDAC 11. Class III HDACs, sirtuins 1-7, have an absolute requirement for NAD(+), are not zinc dependent and generally not inhibited by compounds that inhibit zinc dependent deacetylases. In addition to histones, HDACs have many nonhistone protein substrates which have a role in regulation of gene expression, cell proliferation, cell migration, cell death, and angiogenesis. HDAC inhibitors (HDACi) have been discovered of different chemical structure. HDACi cause accumulation of acetylated forms of proteins which can alter their structure and function. HDACi can induce different phenotypes in various transformed cells, including growth arrest, apoptosis, reactive oxygen species facilitated cell death and mitotic cell death. Normal cells are relatively resistant to HDACi induced cell death. Several HDACi are in various stages of development, including clinical trials as monotherapy and in combination with other anti-cancer drugs and radiation. The first HDACi approved by the FDA for cancer therapy is suberoylanilide hydroxamic acid (SAHA, vorinostat, Zolinza), approved for treatment of cutaneous T-cell lymphoma. 2009 Wiley-Liss, Inc.

The Galex Time Domain Survey. I. Selection And Classification of Over a Thousand Ultraviolet Variable Sources

NASA Technical Reports Server (NTRS)

Gezari, S.; Martin, D. C.; Forster, K.; Neill, J. D.; Huber, M.; Heckman, T.; Bianchi, L.; Morrissey, P.; Neff, S. G.; Seibert, M.;

High Temperature Advanced Structural Composites. Volume 2. Ceramic Matrix Composites, Fiber Processing and Properties, and Interfaces

DTIC Science & Technology

1993-04-02

1977) 97. 3 W. Wieswieler, E. Fitzer, G . Nagel, and H. Jager, Thin Solid Film, 148 (1987) 93. 4 T. A. Chernyshova , L. I. Kobelova, J. Mater. Scl., 20...AD-A267 023 I[E[gh ’Temperature kdvanced Structural (Composites Rensselaer Polytechnic Institute , \\ G Troy, N. Y. 12180-3590 - Final Report -- Book 2...thermodynamic data (heats of forma- ,(T p, comp.) °+p, comp.) (1) tion, absolute entropies, heat capacities) of reactants where g ’ is the chemical

A new rearranged dolabellane diterpene from the soft coral Clavularia inflata.

PubMed

Alea, Glenn V; Bowden, Bruce F; Ragasa, Consolacion Y

2008-06-15

A new dolabellane type diterpene 1 has been isolated through its acetate 1a. The structure of 1a was elucidated by extensive 1D and 2D NMR spectroscopy and confirmed by mass spectrometry. The structure of 1 was deduced by comparison of its NMR spectral data with those of 1a, while its relative stereochemistry was deduced by NOESY. The absolute stereochemistry of C-7 was determined by analyses of 1 separately esterified with R and S O-mandelic acids.

Isolation and structure determination of obyanamide, a novel cytotoxic cyclic depsipeptide from the marine cyanobacterium Lyngbya confervoides.

PubMed

Williams, Philip G; Yoshida, Wesley Y; Moore, Richard E; Paul, Valerie J

2002-01-01

Obyanamide (1) was isolated from a variety of the marine cyanobacterium Lyngbya confervoides collected in Saipan, Commonwealth of the Northern Mariana Islands. Gross structure elucidation of this novel cyclic depsipeptide relied on extensive application of 2D NMR techniques. The absolute stereochemistry was deduced by chiral chromatography of the hydrolysis products and comparison with authentic and synthetic standards. Obyanamide (1) was cytotoxic against KB cells with an IC(50) of 0.58 microg/mL.

Re-entry Flight Experiments Lessons Learned - The Atmospheric Reentry Demonstrator ARD

DTIC Science & Technology

2007-06-01

civilian cooperative program was managed by Aerospatiale – Lanceurs Stratégiques et Spatiaux (now EADS – SPACE Transportation) as prime contractor. The...of an Al-alloy structure protected on the cone by Norcoat 62250 FI cork tiles and on the heat-shield by Aleastrasil silica-phenolic tiles (Figure 3... structure of the flight data points are meaningful even if the absolute Kp level is doubtful. Figure 19 shows CFD comparisons at Mach 10. The real gas

A study of pre-service classroom teachers' beliefs about teachers' and students' roles

NASA Astrophysics Data System (ADS)

Köğce, Davut

2017-08-01

The aim of this study is to determine pre-service classroom teachers' beliefs and thoughts about the roles of teachers and students in the classroom before taking the Mathematics Teaching I course. With this purpose, the study employed the survey method, a descriptive research technique. The study sample included 75 pre-service teachers (55 females and 20 males) who studied in Omer Halisdemir University's education faculty's primary level teaching department classroom teaching programme in the 2013-2014 academic year, and took the Mathematics Teaching I course. The study data were collected using a survey form including three open-ended structured questions. The data were analysed using the qualitative data analysis method. The study results indicated that the pre-service teachers' beliefs, in terms of both teachers' and students' roles, were between the absolute and transitional levels based on Baxter Magolda's epistemological refection model. This reveals that pre-service teachers' beliefs are in line with conventional teaching and learning approaches.

Absolute protein-protein association rate constants from flexible, coarse-grained Brownian dynamics simulations: the role of intermolecular hydrodynamic interactions in barnase-barstar association.

PubMed

Frembgen-Kesner, Tamara; Elcock, Adrian H

2010-11-03

Theory and computation have long been used to rationalize the experimental association rate constants of protein-protein complexes, and Brownian dynamics (BD) simulations, in particular, have been successful in reproducing the relative rate constants of wild-type and mutant protein pairs. Missing from previous BD studies of association kinetics, however, has been the description of hydrodynamic interactions (HIs) between, and within, the diffusing proteins. Here we address this issue by rigorously including HIs in BD simulations of the barnase-barstar association reaction. We first show that even very simplified representations of the proteins--involving approximately one pseudoatom for every three residues in the protein--can provide excellent reproduction of the absolute association rate constants of wild-type and mutant protein pairs. We then show that simulations that include intermolecular HIs also produce excellent estimates of association rate constants, but, for a given reaction criterion, yield values that are decreased by ∼35-80% relative to those obtained in the absence of intermolecular HIs. The neglect of intermolecular HIs in previous BD simulation studies, therefore, is likely to have contributed to the somewhat overestimated absolute rate constants previously obtained. Consequently, intermolecular HIs could be an important component to include in accurate modeling of the kinetics of macromolecular association events. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Time: the enigma of space

NASA Astrophysics Data System (ADS)

Yu, Francis T. S.

2017-08-01

In this article we have based on the laws of physics to illustrate the enigma time as creating our physical space (i.e., the universe). We have shown that without time there would be no physical substances, no space and no life. In reference to Einstein's energy equation, we see that energy and mass can be traded, and every mass can be treated as an Energy Reservoir. We have further shown that physical space cannot be embedded in absolute empty space and cannot have any absolute empty subspace in it. Since all physical substances existed with time, our cosmos is created by time and every substance including our universe is coexisted with time. Although time initiates the creation, it is the physical substances which presented to us the existence of time. We are not alone with almost absolute certainty. Someday we may find a right planet, once upon a time, had harbored a civilization for a short period of light years.

Dependence of hydrogen arcjet operation on electrode geometry

NASA Technical Reports Server (NTRS)

Pencil, Eric J.; Sankovic, John M.; Sarmiento, Charles J.; Hamley, John A.

1992-01-01

The dependence of 2kW hydrogen arcjet performance on cathode to anode electrode spacing was evaluated at specific impulses of 900 and 1000 s. Less than 2 absolute percent change in efficiency was measured for the spacings tested which did not repeat the 14 absolute percent variation reported in earlier work with similar electrode designs. A different nozzle configuration was used to quantify the variation in hydrogen arcjet performance over an extended range of electrode spacing. Electrode gap variation resulted in less than 3 absolute percent change in efficiency. These null results suggested that electrode spacing is decoupled from hydrogen arcjet ignition. The dependence of breakdown voltage on mass flow rate and electrode agreed with Paschen curves for hydrogen. Preliminary characterization of the dependence of hydrogen arcjet ignition on rates of pulse repetition and pulse voltage rise were also included for comparison with previous results obtained using simulated hydrazine.

Dependence of hydrogen arcjet operation on electrode geometry

NASA Technical Reports Server (NTRS)

Pencil, Eric J.; Sankovic, John M.; Sarmiento, Charles J.; Hamley, John A.

1992-01-01

The dependence of 2 kW hydrogen arcjet performance on cathode to anode electrode spacing was evaluated at specific impulses of 900 and 1000 s. Less than 2 absolute percent change in efficiency was measured for the spacings tested which did not repeat the 14 absolute percent variation reported in earlier work with similar electrode designs. A different nozzle configuration was used to quantify the variation in hydrogen arcjet performance over an extended range of electrode spacing. Electrode gap variation resulted in less than 3 absolute percent change in efficiency. These null results suggested that electrode spacing is decoupled from hydrogen arcjet performance considerations over the ranges tested. Initial studies were conducted on hydrogen arcjet ignition. The dependence of breakdown voltage on mass flow rate and hydrogen arcjet ignition on rates of pulse repetition and pulse voltage rise were also included for comparison with previous results obtained using simulated hydrazine.

On the Photometric Calibration of FORS2 and the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Bramich, D.; Moehler, S.; Coccato, L.; Freudling, W.; Garcia-Dabó, C. E.; Müller, P.; Saviane, I.

2012-09-01

An accurate absolute calibration of photometric data to place them on a standard magnitude scale is very important for many science goals. Absolute calibration requires the observation of photometric standard stars and analysis of the observations with an appropriate photometric model including all relevant effects. In the FORS Absolute Photometry (FAP) project, we have developed a standard star observing strategy and modelling procedure that enables calibration of science target photometry to better than 3% accuracy on photometrically stable nights given sufficient signal-to-noise. In the application of this photometric modelling to large photometric databases, we have investigated the Sloan Digital Sky Survey (SDSS) and found systematic trends in the published photometric data. The amplitudes of these trends are similar to the reported typical precision (˜1% and ˜2%) of the SDSS photometry in the griz- and u-bands, respectively.

The atmospheric boundary layer in the CSIRO global climate model: simulations versus observations

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Rotstayn, L. D.; Krummel, P. B.

2002-07-01

A 5-year simulation of the atmospheric boundary layer in the CSIRO global climate model (GCM) is compared with detailed boundary-layer observations at six locations, two over the ocean and four over land. Field observations, in the form of surface fluxes and vertical profiles of wind, temperature and humidity, are generally available for each hour over periods of one month or more in a single year. GCM simulations are for specific months corresponding to the field observations, for each of five years. At three of the four land sites (two in Australia, one in south-eastern France), modelled rainfall was close to the observed climatological values, but was significantly in deficit at the fourth (Kansas, USA). Observed rainfall during the field expeditions was close to climatology at all four sites. At the Kansas site, modelled screen temperatures (Tsc), diurnal temperature amplitude and sensible heat flux (H) were significantly higher than observed, with modelled evaporation (E) much lower. At the other three land sites, there is excellent correspondence between the diurnal amplitude and phase and absolute values of each variable (Tsc, H, E). Mean monthly vertical profiles for specific times of the day show strong similarities: over land and ocean in vertical shape and absolute values of variables, and in the mixed-layer and nocturnal-inversion depths (over land) and the height of the elevated inversion or height of the cloud layer (over the sea). Of special interest is the presence climatologically of early morning humidity inversions related to dewfall and of nocturnal low-level jets; such features are found in the GCM simulations. The observed day-to-day variability in vertical structure is captured well in the model for most sites, including, over a whole month, the temperature range at all levels in the boundary layer, and the mix of shallow and deep mixed layers. Weaknesses or unrealistic structure include the following, (a) unrealistic model mixed-layer temperature profiles over land in clear skies, related to use of a simple local first-order turbulence closure, (b) a tendency to overpredict cloud liquid water near the surface.

Observational characteristics of the tropopause inversion layer derived from CHAMP/GRACE radio occultations and MOZAIC aircraft data

NASA Astrophysics Data System (ADS)

Schmidt, Torsten; Cammas, Jean-Pierre; Heise, Stefan; Wickert, Jens; Haser, Antonia

2010-05-01

In this study we discuss characteristics of the tropopause inversion layer (TIL) based on two datasets. Temperature measurements from GPS radio occultation (RO) data (CHAMP and GRACE) for the time interval 2001-2009 are used to exhibit seasonal properties of the TIL on a global scale. In agreement with previous studies the vertical structure of the TIL is investigated using the square of the buoyancy frequency N. For the extratropics on both hemispheres N2 has an universal distribution independent from season: a local minimum about 2 km below the lapse rate tropopause height (LRTH), an absolute maximum about 1 km above the LRTH, and a local minimum about 4 km above the LRTH. In the tropics (15°N-15°S) the N2 maximum above the tropopause is 200-300 m higher compared with the extratropics and the local minimum of N2 below the tropopause appears about 4 km below the LRTH. Trace gas measurements onboard commercial aircrafts from 2001-2007 are used as a complementary dataset (MOZAIC program). We demonstrate that the mixing ratio gradients of ozone, carbon monoxide and water vapor are suitable parameters for characterizing the TIL reproducing most of the vertical structure of N2. We also show that the LRTH is strongly correlated with the absolute maxima of ozone and carbon monoxide mixing ratio gradients. Mean deviations of the heights of the absolute maxima of mixing ratio gradients from O3 and CO to the LRTH are (-0.02±1.51) km and (-0.35±1.28) km, respectively.

Speech intelligibility index predictions for young and old listeners in automobile noise: Can the index be improved by incorporating factors other than absolute threshold?

NASA Astrophysics Data System (ADS)

Saweikis, Meghan; Surprenant, Aimée M.; Davies, Patricia; Gallant, Don

2003-10-01

While young and old subjects with comparable audiograms tend to perform comparably on speech recognition tasks in quiet environments, the older subjects have more difficulty than the younger subjects with recognition tasks in degraded listening conditions. This suggests that factors other than an absolute threshold may account for some of the difficulty older listeners have on recognition tasks in noisy environments. Many metrics, including the Speech Intelligibility Index (SII), used to measure speech intelligibility, only consider an absolute threshold when accounting for age related hearing loss. Therefore these metrics tend to overestimate the performance for elderly listeners in noisy environments [Tobias et al., J. Acoust. Soc. Am. 83, 859-895 (1988)]. The present studies examine the predictive capabilities of the SII in an environment with automobile noise present. This is of interest because people's evaluation of the automobile interior sound is closely linked to their ability to carry on conversations with their fellow passengers. The four studies examine whether, for subjects with age related hearing loss, the accuracy of the SII can be improved by incorporating factors other than an absolute threshold into the model. [Work supported by Ford Motor Company.

Social deprivation, inequality, and the neighborhood-level incidence of psychotic syndromes in East London.

PubMed

Kirkbride, James B; Jones, Peter B; Ullrich, Simone; Coid, Jeremy W

2014-01-01

Although urban birth, upbringing, and living are associated with increased risk of nonaffective psychotic disorders, few studies have used appropriate multilevel techniques accounting for spatial dependency in risk to investigate social, economic, or physical determinants of psychosis incidence. We adopted Bayesian hierarchical modeling to investigate the sociospatial distribution of psychosis risk in East London for DSM-IV nonaffective and affective psychotic disorders, ascertained over a 2-year period in the East London first-episode psychosis study. We included individual and environmental data on 427 subjects experiencing first-episode psychosis to estimate the incidence of disorder across 56 neighborhoods, having standardized for age, sex, ethnicity, and socioeconomic status. A Bayesian model that included spatially structured neighborhood-level random effects identified substantial unexplained variation in nonaffective psychosis risk after controlling for individual-level factors. This variation was independently associated with greater levels of neighborhood income inequality (SD increase in inequality: Bayesian relative risks [RR]: 1.25; 95% CI: 1.04-1.49), absolute deprivation (RR: 1.28; 95% CI: 1.08-1.51) and population density (RR: 1.18; 95% CI: 1.00-1.41). Neighborhood ethnic composition effects were associated with incidence of nonaffective psychosis for people of black Caribbean and black African origin. No variation in the spatial distribution of the affective psychoses was identified, consistent with the possibility of differing etiological origins of affective and nonaffective psychoses. Our data suggest that both absolute and relative measures of neighborhood social composition are associated with the incidence of nonaffective psychosis. We suggest these associations are consistent with a role for social stressors in psychosis risk, particularly when people live in more unequal communities.

Simulation and analysis of spectroscopic filter of rotational Raman lidar for absolute measurement of atmospheric temperature

NASA Astrophysics Data System (ADS)

Li, Qimeng; Li, Shichun; Hu, Xianglong; Zhao, Jing; Xin, Wenhui; Song, Yuehui; Hua, Dengxin

2018-01-01

The absolute measurement technique for atmospheric temperature can avoid the calibration process and improve the measurement accuracy. To achieve the rotational Raman temperature lidar of absolute measurement, the two-stage parallel multi-channel spectroscopic filter combined a first-order blazed grating with a fiber Bragg grating is designed and its performance is tested. The parameters and the optical path structure of the core cascaded-device (micron-level fiber array) are optimized, the optical path of the primary spectroscope is simulated and the maximum centrifugal distortion of the rotational Raman spectrum is approximately 0.0031 nm, the centrifugal ratio of 0.69%. The experimental results show that the channel coefficients of the primary spectroscope are 0.67, 0.91, 0.67, 0.75, 0.82, 0.63, 0.87, 0.97, 0.89, 0.87 and 1 by using the twelfth channel as a reference and the average FWHM is about 0.44 nm. The maximum deviation between the experimental wavelength and the theoretical value is approximately 0.0398 nm, with the deviation degree of 8.86%. The effective suppression to elastic scattering signal are 30.6, 35.2, 37.1, 38.4, 36.8, 38.2, 41.0, 44.3, 44.0, 46.7 dB. That means, combined with the second spectroscope, the suppression at least is up to 65 dB. Therefore we can fine extract single rotational Raman line to achieve the absolute measurement technique.

Isolation and determination of absolute configurations of insect-produced methyl-branched hydrocarbons

PubMed Central

Bello, Jan E.; McElfresh, J. Steven; Millar, Jocelyn G.

2015-01-01

Although the effects of stereochemistry have been studied extensively for volatile insect pheromones, little is known about the effects of chirality in the nonvolatile methyl-branched hydrocarbons (MBCHs) used by many insects as contact pheromones. MBCHs generally contain one or more chiral centers and so two or more stereoisomeric forms are possible for each structure. However, it is not known whether insects biosynthesize these molecules in high stereoisomeric purity, nor is it known whether insects can distinguish the different stereoisomeric forms of MBCHs. This knowledge gap is due in part to the lack of methods for isolating individual MBCHs from the complex cuticular hydrocarbon (CHC) blends of insects, as well as the difficulty in determining the absolute configurations of the isolated MBCHs. To address these deficiencies, we report a straightforward method for the isolation of individual cuticular hydrocarbons from the complex CHC blend. The method was used to isolate 36 pure MBCHs from 20 species in nine insect orders. The absolute stereochemistries of the purified MBCHs then were determined by digital polarimetry. The absolute configurations of all of the isolated MBCHs were determined to be (R) by comparison with a library of synthesized, enantiomerically pure standards, suggesting that the biosynthetic pathways used to construct MBCHs are highly conserved within the Insecta. The development of a straightforward method for isolation of specific CHCs will enable determination of their functional roles by providing pure compounds for bioassays. PMID:25583471

Absolute dose calculations for Monte Carlo simulations of radiotherapy beams.

PubMed

Popescu, I A; Shaw, C P; Zavgorodni, S F; Beckham, W A

2005-07-21

Monte Carlo (MC) simulations have traditionally been used for single field relative comparisons with experimental data or commercial treatment planning systems (TPS). However, clinical treatment plans commonly involve more than one field. Since the contribution of each field must be accurately quantified, multiple field MC simulations are only possible by employing absolute dosimetry. Therefore, we have developed a rigorous calibration method that allows the incorporation of monitor units (MU) in MC simulations. This absolute dosimetry formalism can be easily implemented by any BEAMnrc/DOSXYZnrc user, and applies to any configuration of open and blocked fields, including intensity-modulated radiation therapy (IMRT) plans. Our approach involves the relationship between the dose scored in the monitor ionization chamber of a radiotherapy linear accelerator (linac), the number of initial particles incident on the target, and the field size. We found that for a 10 x 10 cm2 field of a 6 MV photon beam, 1 MU corresponds, in our model, to 8.129 x 10(13) +/- 1.0% electrons incident on the target and a total dose of 20.87 cGy +/- 1.0% in the monitor chambers of the virtual linac. We present an extensive experimental verification of our MC results for open and intensity-modulated fields, including a dynamic 7-field IMRT plan simulated on the CT data sets of a cylindrical phantom and of a Rando anthropomorphic phantom, which were validated by measurements using ionization chambers and thermoluminescent dosimeters (TLD). Our simulation results are in excellent agreement with experiment, with percentage differences of less than 2%, in general, demonstrating the accuracy of our Monte Carlo absolute dose calculations.

Absolute configurations of organometallic compounds. III. Structure and absolute configuration of the square-pyramidal complex ((+)/sub 579/-(C/sub 5/H/sub 5/)Mo(CO)/sub 2/(NN*))PF/sub 6/(NN* = Schiff base derived from pyridine-2-carbaldehyde and (S)-(-)-. cap alpha. -phenylethylamine)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernal, I.; LaPlaca, S.J.; Korp, J.

The structure of (+)/sub 579/-(eta/sup 5/-C/sub 5/H/sub 5/Mo(CO)/sub 2/(NN*))PF/sub 6/ with NN* = the Schiff base derived from pyridine-2-carbaldehyde and (S)-(--)-..cap alpha..-phenylethylamine was determined using standard single-crystal x-ray diffraction methods. The absolute configuration was determined by refinement of the data using the anomalous scattering contributions of Mo and P to a final R(F) = 0.056 for 2634 independent reflections having I greater than 3 sigma (I). The substance crystallizes in the space group P2/sub 1/2/sub 1/2/sub 1/ with unit cell dimensions of a = 12.249 (4), b = 9.236 (3), and c = 20.692 (9) A and Z = 4more » molecules/unit cell. The square-pyramidal coordination of the Mo atom is defined by two carbonyl carbons and two Schiff base nitrogens occupying the four basal plane sites and the five carbons of the eta/sup 5/-C/sub 5/H/sub 5/ ligand in the axial position. The Mo--ligand distances and the bond lengths and angles within the ligands are normal and compare closely with those of recent structure determinations of comparable precision. The Mo atom is 0.95 A above the plane formed by the four basal plane ligands. The conformation of the (S)-..cap alpha..-phenylethyl group with respect to the ligand plane, defined by the pyridine ring, the imine system, and the Mo atom, is discussed. The configuration at the metal atom in the (+)/sub 579/ isomer is specified as (S). The PF/sub 6//sup -/ anion executes large amplitude torsional motion in the lattice, as is commonly the case for this anion when not hydrogen bonded.« less

Absolute configuration of podophyllotoxone and its inhibitory activity against human prostate cancer cells.

PubMed

Li, Juan; Feng, Juan; Luo, Cheng; Herman, Ho-Yung Sung; Jiang, Ren-Wang

2015-01-01

Podophyllotoxone (1) was isolated from the roots of Dysosma versipellis. The structure was determined by spectroscopic analysis in combination with single-crystal X-ray analysis. The absolute configuration of compound 1 was assigned based on the Flack parameter. It showed significant inhibitory activities against human prostate cancer cells PC3 and DU145 with IC50 values being 14.7 and 20.6 μmol·L(-1), respectively. It also arrested the cells at G2/M phase. Tubulin polymerization assay showed that it inhibited the tubulin polymerization in a dose-dependent manner, and molecular docking analysis revealed a different binding mode with tubulin as compared with those known tubulin inhibitors. Copyright © 2015 China Pharmaceutical University. Published by Elsevier B.V. All rights reserved.

Experimental and theoretical calculation studies on the structure elucidation and absolute configuration of calyxins from Alpinia katsumadai.

PubMed

Wang, Xiao-Bing; Yang, Chang-Shui; Luo, Jian-Guang; Zhang, Chao; Luo, Jun; Yang, Ming-Hua; Kong, Ling-Yi

2017-06-01

Six novel calyxins, named calyxin T-W, ent-calyxin T and ent-calyxin U were isolated from the seeds of Alpinia katsumadai Hayata. Their relative configurations were elucidated by means of detailed UV, IR, NMR and MS spectroscopic data. Their absolute configurations were assigned by collaborative studies on single crystal X-ray diffraction analysis, Mosher's method, electronic circular dichroism (ECD), optical rotation and theoretical calculations. These compounds are Friedel-Cranft alkylation adducts composed of coexisted diarylheptanoids and flavanone from the seeds of Alpinia katsumadai. The antiproliferative activity of the six compounds against NCI-H460, HeLa, SMMC-7721 and HCT-116 cell lines was also reported, and most of them showed moderate to strong activities. Copyright © 2017. Published by Elsevier B.V.

Effect of intensive structured care on individual blood pressure targets in primary care: multicentre randomised controlled trial.

PubMed

Stewart, Simon; Carrington, Melinda J; Swemmer, Carla H; Anderson, Craig; Kurstjens, Nicol P; Amerena, John; Brown, Alex; Burrell, Louise M; de Looze, Ferdinandus J; Harris, Mark; Hung, Joseph; Krum, Henry; Nelson, Mark; Schlaich, Markus; Stocks, Nigel P; Jennings, Garry L

2012-11-20

To determine the effectiveness of intensive structured care to optimise blood pressure control based on individual absolute risk targets in primary care. Pragmatic multicentre randomised controlled trial. General practices throughout Australia, except Northern Territory, 2009-11. Of 2185 patients from 119 general practices who were eligible for drug treatment for hypertension according to national guidelines 416 (19.0%) achieved their individual blood pressure target during a 28 day run-in period of monotherapy. After exclusions, 1562 participants not at target blood pressure (systolic 150 (SD 17) mm Hg, diastolic 88 (SD 11) mm Hg) were randomised (1:2 ratio) to usual care (n=524) or the intervention (n=1038). Computer assisted clinical profiling and risk target setting (all participants) with intensified follow-up and stepwise drug titration (initial angiotensin receptor blocker monotherapy or two forms of combination therapy using angiotensin receptor blockers) for those randomised to the intervention. The control group received usual care. The primary outcome was individual blood pressure target achieved at 26 weeks. Secondary outcomes were change in mean sitting systolic and diastolic blood pressure, absolute risk for cardiovascular disease within five years based on the Framingham risk score, and proportion and rate of adverse events. On an intention to treat basis, there was an 8.8% absolute difference in individual blood pressure target achieved at 26 weeks in favour of the intervention group compared with usual care group (358/988 (36.2%) v 138/504 (27.4%)): adjusted relative risk 1.28 (95% confidence interval 1.10 to 1.49, P=0.0013). There was also a 9.5% absolute difference in favour of the intervention group for achieving the classic blood pressure target of ≤ 140/90 mm Hg (627/988 (63.5%) v 272/504 (54.0%)): adjusted relative risk 1.18 (1.07 to 1.29, P<0.001). The intervention group achieved a mean adjusted reduction in systolic blood pressure of 13.2 mm Hg (95% confidence interval -12.3 to -14.2 mm Hg) and diastolic blood pressure of 7.7 mm Hg (-7.1 to -8.3 mm Hg) v 10.1 mm Hg (-8.8 to 11.3 mm Hg) and 5.5 mm Hg (-4.7 to -6.2 mm Hg) in the usual care group (P<0.001). Among 1141 participants in whom five year absolute cardiovascular risk scores were calculated from baseline to the 26 week follow-up, the reduction in risk scores was greater in the intervention group than usual care group (14.7% (SD 9.3%) to 10.9% (SD 8.0%); difference -3.7% (SD 4.5%) and 15.0% (SD 10.1%) to 12.4% (SD 9.4%); -2.6% (SD 4.5%): adjusted mean difference -1.13% (95% confidence interval -0.69% to -1.63%; P<0.001). Owing to adverse events 82 (7.9%) participants in the intervention group and 10 (1.9%) in the usual care group had their drug treatment modified. In a primary care setting intensive structured care resulted in higher levels of blood pressure control, with clinically lower blood pressure and absolute risk of future cardiovascular events overall and with more people achieving their target blood pressure. An important gap in treatment remains though and applying intensive management and achieving currently advocated risk based blood pressure targets is challenging.

Symplocin A, a Linear Peptide from the Bahamian Cyanobacterium Symploca sp. Configurational Analysis of N,N-Dimethylamino Acids by Chiral-Phase HPLC of Naphthacyl Esters†

PubMed Central

Molinski, Tadeusz F.; Reynolds, Kirk A.; Morinaka, Brandon I.

2012-01-01

The absolute stereostructures of the components of symplocin A (3), a new N,N-dimethyl-terminated peptide from the Bahamian cyanobacterium, Symploca sp., were assigned from spectroscopic analysis, including MS and 2D NMR and Marfey’s analysis. The complete absolute configuration of symplocin A, including the unexpected D-configurations of the terminal N,N-dimethylisoleucine and valic acid residues, were assigned by chiral-phase HPLC of the corresponding 2-naphthacyl esters, a highly sensitive, complementary strategy for assignment of N-blocked peptide residues where Marfey’s method is ineffectual, or other methods fall short. Symplocin A exhibited potent activity as an inhibitor of cathepsin E (IC50 300 pM). PMID:22360587

Absolute Standard Hydrogen Electrode Potential Measured by Reduction of Aqueous Nanodrops in the Gas Phase

PubMed Central

Donald, William A.; Leib, Ryan D.; O'Brien, Jeremy T.; Bush, Matthew F.; Williams, Evan R.

2008-01-01

In solution, half-cell potentials are measured relative to those of other half cells, thereby establishing a ladder of thermochemical values that are referenced to the standard hydrogen electrode (SHE), which is arbitrarily assigned a value of exactly 0 V. Although there has been considerable interest in, and efforts toward, establishing an absolute electrochemical half-cell potential in solution, there is no general consensus regarding the best approach to obtain this value. Here, ion-electron recombination energies resulting from electron capture by gas-phase nanodrops containing individual [M(NH3)6]3+, M = Ru, Co, Os, Cr, and Ir, and Cu2+ ions are obtained from the number of water molecules that are lost from the reduced precursors. These experimental data combined with nanodrop solvation energies estimated from Born theory and solution-phase entropies estimated from limited experimental data provide absolute reduction energies for these redox couples in bulk aqueous solution. A key advantage of this approach is that solvent effects well past two solvent shells, that are difficult to model accurately, are included in these experimental measurements. By evaluating these data relative to known solution-phase reduction potentials, an absolute value for the SHE of 4.2 ± 0.4 V versus a free electron is obtained. Although not achieved here, the uncertainty of this method could potentially be reduced to below 0.1 V, making this an attractive method for establishing an absolute electrochemical scale that bridges solution and gas-phase redox chemistry. PMID:18288835

Structure and absolute configuration of some 5-chloro-2-methoxy-N-phenylbenzamide derivatives

NASA Astrophysics Data System (ADS)

Galal, Alaaeldin M. F.; Shalaby, Elsayed M.; Abouelsayed, Ahmed; Ibrahim, Medhat A.; Al-Ashkar, Emad; Hanna, Atef G.

2018-01-01

The absolute configuration of 5-chloro-2-methoxy-N-phenylbenzamide single crystal [compound (1)] and the effect of introducing -[CH2]n-, n = 1,2 group adjacent to the amide group [compounds (2) and (3)], were studied. Furthermore, the replacement of the methoxy group with a hydroxy group [compound (4)] was defined. Proton and carbon-13 NMR spectrometer were used to record the structural information of the prepared compounds. X-ray single crystal diffractometer were used to elucidate the 3D structural configurations. Intensity data for the studied compounds were collected at room temperature. The X-ray data prove that compound (1) is almost planar, with maximum r.m.s. deviations of 0.210(3) Å corresponds to C13. This planarity starts to disturb by adding -[CH2]n-, n = 1,2 groups between the NH group and the phenyl ring in compounds (2) and (3), respectively. By replacing the OCH3 group by an OH group in compound (4), the plane of the chlorophenyl moiety is nearly perpendicular to that of the phenyl ring. Such new structural configurations were further illustrated by the infrared, and ultraviolet-visible spectroscopy measurements in the frequency range 400-4000 cm-1 and 190-1100 nm, respectively. Spectroscopic analyses were verified with the help of molecular modeling using density functional theory. The estimated total dipole moment for the prepared compounds reflects its ability to interact with its surrounding molecules. The higher dipole moment for a given structures is combined with the higher reactivity for potential use in medicinal applications.

Time-series modeling and prediction of global monthly absolute temperature for environmental decision making

NASA Astrophysics Data System (ADS)

Ye, Liming; Yang, Guixia; Van Ranst, Eric; Tang, Huajun

2013-03-01

A generalized, structural, time series modeling framework was developed to analyze the monthly records of absolute surface temperature, one of the most important environmental parameters, using a deterministicstochastic combined (DSC) approach. Although the development of the framework was based on the characterization of the variation patterns of a global dataset, the methodology could be applied to any monthly absolute temperature record. Deterministic processes were used to characterize the variation patterns of the global trend and the cyclic oscillations of the temperature signal, involving polynomial functions and the Fourier method, respectively, while stochastic processes were employed to account for any remaining patterns in the temperature signal, involving seasonal autoregressive integrated moving average (SARIMA) models. A prediction of the monthly global surface temperature during the second decade of the 21st century using the DSC model shows that the global temperature will likely continue to rise at twice the average rate of the past 150 years. The evaluation of prediction accuracy shows that DSC models perform systematically well against selected models of other authors, suggesting that DSC models, when coupled with other ecoenvironmental models, can be used as a supplemental tool for short-term (˜10-year) environmental planning and decision making.

One-shot 3D scanning by combining sparse landmarks with dense gradient information

NASA Astrophysics Data System (ADS)

Di Martino, Matías; Flores, Jorge; Ferrari, José A.

2018-06-01

Scene understanding is one of the most challenging and popular problems in the field of robotics and computer vision and the estimation of 3D information is at the core of most of these applications. In order to retrieve the 3D structure of a test surface we propose a single shot approach that combines dense gradient information with sparse absolute measurements. To that end, we designed a colored pattern that codes fine horizontal and vertical fringes, with sparse corners landmarks. By measuring the deformation (bending) of horizontal and vertical fringes, we are able to estimate surface local variations (i.e. its gradient field). Then corner sparse landmarks are detected and matched to infer spare absolute information about the test surface height. Local gradient information is combined with the sparse absolute values which work as anchors to guide the integration process. We show that this can be mathematically done in a very compact and intuitive way by properly defining a Poisson-like partial differential equation. Then we address in detail how the problem can be formulated in a discrete domain and how it can be practically solved by straight forward linear numerical solvers. Finally, validation experiment are presented.

Electron Emission from Amorphous Solid Water Induced by Passage of Energetic Protons and Fluorine Ions

PubMed Central

Toburen, L. H.; McLawhorn, S. L.; McLawhorn, R. A.; Carnes, K. D.; Dingfelder, M.; Shinpaugh, J. L.

2013-01-01

Absolute doubly differential electron emission yields were measured from thin films of amorphous solid water (ASW) after the transmission of 6 MeV protons and 19 MeV (1 MeV/nucleon) fluorine ions. The ASW films were frozen on thin (1-μm) copper foils cooled to approximately 50 K. Electrons emitted from the films were detected as a function of angle in both the forward and backward direction and as a function of the film thickness. Electron energies were determined by measuring the ejected electron time of flight, a technique that optimizes the accuracy of measuring low-energy electron yields, where the effects of molecular environment on electron transport are expected to be most evident. Relative electron emission yields were normalized to an absolute scale by comparison of the integrated total yields for proton-induced electron emission from the copper substrate to values published previously. The absolute doubly differential yields from ASW are presented along with integrated values, providing single differential and total electron emission yields. These data may provide benchmark tests of Monte Carlo track structure codes commonly used for assessing the effects of radiation quality on biological effectiveness. PMID:20681805

Mandelalides A-D, cytotoxic macrolides from a new Lissoclinum species of South African tunicate.

PubMed

Sikorska, Justyna; Hau, Andrew M; Anklin, Clemens; Parker-Nance, Shirley; Davies-Coleman, Michael T; Ishmael, Jane E; McPhail, Kerry L

2012-07-20

Mandelalides A-D are variously glycosylated, unusual polyketide macrolides isolated from a new species of Lissoclinum ascidian collected from South Africa, Algoa Bay near Port Elizabeth and the surrounding Nelson Mandela Metropole. Their planar structures were elucidated on submilligram samples by comprehensive analysis of 1D and 2D NMR data, supported by mass spectrometry. The assignment of relative configuration was accomplished by consideration of homonuclear and heteronuclear coupling constants in tandem with ROESY data. The absolute configuration was assigned for mandelalide A after chiral GC-MS analysis of the hydrolyzed monosaccharide (2-O-methyl-α-L-rhamnose) and consideration of ROESY correlations between the monosaccharide and aglycone in the intact natural product. The resultant absolute configuration of the mandelalide A macrolide was extrapolated to propose the absolute configurations of mandelalides B-D. Remarkably, mandelalide B contained the C-4' epimeric 2-O-methyl-6-dehydro-α-L-talose. Mandelalides A and B showed potent cytotoxicity to human NCI-H460 lung cancer cells (IC(50), 12 and 44 nM, respectively) and mouse Neuro-2A neuroblastoma cells (IC(50), 29 and 84 nM, respectively).

Size structuring and allometric scaling relationships in coral reef fishes.

PubMed

Dunic, Jillian C; Baum, Julia K

2017-05-01

Temperate marine fish communities are often size-structured, with predators consuming increasingly larger prey and feeding at higher trophic levels as they grow. Gape limitation and ontogenetic diet shifts are key mechanisms by which size structuring arises in these communities. Little is known, however, about size structuring in coral reef fishes. Here, we aimed to advance understanding of size structuring in coral reef food webs by examining the evidence for these mechanisms in two groups of reef predators. Given the diversity of feeding modes amongst coral reef fishes, we also compared gape size-body size allometric relationships across functional groups to determine whether they are reliable indicators of size structuring. We used gut content analysis and quantile regressions of predator size-prey size relationships to test for evidence of gape limitation and ontogenetic niche shifts in reef piscivores (n = 13 species) and benthic invertivores (n = 3 species). We then estimated gape size-body size allometric scaling coefficients for 21 different species from four functional groups, including herbivores/detritivores, which are not expected to be gape-limited. We found evidence of both mechanisms for size structuring in coral reef piscivores, with maximum prey size scaling positively with predator body size, and ontogenetic diet shifts including prey type and expansion of prey size. There was, however, little evidence of size structuring in benthic invertivores. Across species and functional groups, absolute and relative gape sizes were largest in piscivores as expected, but gape size-body size scaling relationships were not indicative of size structuring. Instead, relative gape sizes and mouth morphologies may be better indicators. Our results provide evidence that coral reef piscivores are size-structured and that gape limitation and ontogenetic niche shifts are the mechanisms from which this structure arises. Although gape allometry was not indicative of size structuring, it may have implications for ecosystem function: positively allometric gape size-body size scaling relationships in herbivores/detritivores suggests that loss of large-bodied individuals of these species will have a disproportionately negative impact on reef grazing pressure. © 2017 The Authors. Journal of Animal Ecology © 2017 British Ecological Society.

Structure and Absolute Configuration of Jurassic Polyketide-Derived Spiroborate Pigments Obtained from Microgram Quantities.

PubMed

Wolkenstein, Klaus; Sun, Han; Falk, Heinz; Griesinger, Christian

2015-10-28

Complete structural elucidation of natural products is often challenging due to structural complexity and limited availability. This is true for present-day secondary metabolites, but even more for exceptionally preserved secondary metabolites of ancient organisms that potentially provide insights into the evolutionary history of natural products. Here, we report the full structure and absolute configuration of the borolithochromes, enigmatic boron-containing pigments from a Jurassic putative red alga, from samples of less than 50 μg using microcryoprobe NMR, circular dichroism spectroscopy, and density functional theory calculations and reveal their polyketide origin. The pigments are identified as spiroborates with two pentacyclic sec-butyl-trihydroxy-methyl-benzo[gh]tetraphen-one ligands and less-substituted derivatives. The configuration of the sec-butyl group is found to be (S). Because the exceptional benzo[gh]tetraphene scaffold is otherwise only observed in the recently discovered polyketide clostrubin from a present-day Clostridium bacterium, the Jurassic borolithochromes now can be unambiguously linked to the modern polyketide, providing evidence that the fossil pigments are almost originally preserved secondary metabolites and suggesting that the pigments in fact may have been produced by an ancient bacterium. The borolithochromes differ fundamentally from previously described boronated polyketides and represent the first boronated aromatic polyketides found so far. Our results demonstrate the potential of microcryoprobe NMR in the analysis of previously little-explored secondary metabolites from ancient organisms and reveal the evolutionary significance of clostrubin-type polyketides.

Analysis and application of classification methods of complex carbonate reservoirs

NASA Astrophysics Data System (ADS)

Li, Xiongyan; Qin, Ruibao; Ping, Haitao; Wei, Dan; Liu, Xiaomei

2018-06-01

There are abundant carbonate reservoirs from the Cenozoic to Mesozoic era in the Middle East. Due to variation in sedimentary environment and diagenetic process of carbonate reservoirs, several porosity types coexist in carbonate reservoirs. As a result, because of the complex lithologies and pore types as well as the impact of microfractures, the pore structure is very complicated. Therefore, it is difficult to accurately calculate the reservoir parameters. In order to accurately evaluate carbonate reservoirs, based on the pore structure evaluation of carbonate reservoirs, the classification methods of carbonate reservoirs are analyzed based on capillary pressure curves and flow units. Based on the capillary pressure curves, although the carbonate reservoirs can be classified, the relationship between porosity and permeability after classification is not ideal. On the basis of the flow units, the high-precision functional relationship between porosity and permeability after classification can be established. Therefore, the carbonate reservoirs can be quantitatively evaluated based on the classification of flow units. In the dolomite reservoirs, the average absolute error of calculated permeability decreases from 15.13 to 7.44 mD. Similarly, the average absolute error of calculated permeability of limestone reservoirs is reduced from 20.33 to 7.37 mD. Only by accurately characterizing pore structures and classifying reservoir types, reservoir parameters could be calculated accurately. Therefore, characterizing pore structures and classifying reservoir types are very important to accurate evaluation of complex carbonate reservoirs in the Middle East.

Vaccinols J-S, ten new salicyloid derivatives from the marine mangrove-derived endophytic fungus Pestalotiopsis vaccinii.

PubMed

Wang, Jun-Feng; Liang, Rui; Liao, Sheng-Rong; Yang, Bin; Tu, Zheng-Chao; Lin, Xiu-Ping; Wang, Bin-Gui; Liu, Yonghong

2017-07-01

Ten new salicyloid derivatives, namely vaccinols J-S (1-10), along with five known compounds (11-15) were isolated from Pestalotiopsis vaccinii (cgmcc3.9199) endogenous with the mangrove plant Kandelia candel (L.) Druce (Rhizophoraceae). Their structures including absolute configurations were established on the basis of spectroscopic analysis, optical rotation, CD spectra, quantum ECD calculations. To the best of our knowledge, vaccinol J (1) is the first example of salicyloid derivatives containing 2-methylfuran moiety. All of the new compounds were tested for their anti-enterovirus 7l (EV71) and cytotoxic activities. Among them, vaccinol J (1) exhibited in vitro anti-EV71 with IC 50 value of 30.7μM (IC 50 177.0μM for the positive control ribavirin). Copyright © 2017. Published by Elsevier B.V.

Parameterized study of the ionospheric modification associated with sun-aligned polar cap arcs

NASA Technical Reports Server (NTRS)

Crain, D. J.; Sojka, J. J.; Schunk, R. W.; Zhu, L.

1993-01-01

The local ionospheric modification that is due to a generalized steady state solar aligned (SA) arc structure is addressed. For a representative set of SA arc parameters which includes both convection and precipitation, emphasis is placed on the modification by SA polar cap arcs upon the F region electron density and the height integrated conductivity. At low fluxes and low characteristic energies, SA polar cap arcs have the most pronounced relative effect at F region altitudes in darkness for winter solar minimum conditions. The absolute enhancement in summer solar minimum and winter solar maximum is equivalent to that of winter solar minimum, but the higher ambient densities make the relative enhancement less. The TEC enhancement associated with an SA arc may be used to indicate the degree of plasma cross flow across the arc.

New dihydro-β-agarofuran sesquiterpenes from Parnassia wightiana wall: isolation, identification and cytotoxicity against cancer cells.

PubMed

Lv, Chao; Zheng, Zuo-Lue; Miao, Fang; Geng, Hui-Ling; Zhou, Le; Liu, La-Ping

2014-06-20

Five new (4-8) and three known (1-3) dihydro-β-agarofuran sesquiterpene polyesters were isolated from the whole plants of Parnassia wightiana. The structures of all compounds were elucidated through spectroscopic analysis including 2D-NMR and HR-MS. The absolute configuration of these compounds was established by X-ray diffraction analysis, comparison of NOESY spectra and biogenetic means. The cytotoxities of compounds 2-8 were evaluated in vitro against HL-60, SMMC-7721, A549, MCF-7 and SW480 cell lines. Compounds 5-7 exhibited the highest activities with IC₅₀ values of 11.8-30.1 μM in most cases. The SAR revealed that the introduction of hydroxyl group was able to significantly improve the activities of the compounds for most of the cell lines.

Activity-guided isolation of the chemical constituents of Muntingia calabura using a quinone reductase induction assay.

PubMed

Su, Bao-Ning; Jung Park, Eun; Vigo, Jose Schunke; Graham, James G; Cabieses, Fernando; Fong, Harry H S; Pezzuto, John M; Kinghorn, A Douglas

2003-06-01

Activity-guided fractionation of an EtOAc-soluble extract of the leaves of Muntingia calabura collected in Peru, using an in vitro quinone reductase induction assay with cultured Hepa 1c1c7 (mouse hepatoma) cells, resulted in the isolation of a flavanone with an unsubstituted B-ring, (2R,3R)-7-methoxy-3,5,8-trihydroxyflavanone (5), as well as 24 known compounds, which were mainly flavanones and flavones. The structure including absolute stereochemistry of compound 5 was determined by spectroscopic (HRMS, 1D and 2D NMR, and CD spectra) methods. Of the isolates obtained, in addition to 5, (2S)-5-hydroxy-7-methoxyflavanone, 2',4'-dihydroxychalcone, 4,2',4'-trihydroxychalcone, 7-hydroxyisoflavone and 7,3',4'-trimethoxyisoflavone were found to induce quinone reductase activity.

The integration of FPGA TDC inside White Rabbit node

NASA Astrophysics Data System (ADS)

Li, H.; Xue, T.; Gong, G.; Li, J.

2017-04-01

White Rabbit technology is capable of delivering sub-nanosecond accuracy and picosecond precision of synchronization and normal data packets over the fiber network. Carry chain structure in FPGA is a popular way to build TDC and tens of picosecond RMS resolution has been achieved. The integration of WR technology with FPGA TDC can enhance and simplify the TDC in many aspects that includes providing a low jitter clock for TDC, a synchronized absolute UTC/TAI timestamp for coarse counter, a fancy way to calibrate the carry chain DNL and an easy to use Ethernet link for data and control information transmit. This paper presents a FPGA TDC implemented inside a normal White Rabbit node with sub-nanosecond measurement precision. The measured standard deviation reaches 50ps between two distributed TDCs. Possible applications of this distributed TDC are also discussed.

FUNDAMENTAL DIFFERENCES BETWEEN NATURAL ANTIBODIES AND POLYREACTIVE IMMUNOGLOBULINS.

PubMed

Bobrovnik, S A; Demchenko, M A; Komisarenko, S V

2015-01-01

A problem of similarity and differences between so-called polyreactive immunoglobulins (PRIGs) and natural antibodies (NAbs), capable of cross-reacting with some structurally dissimilar antigens, has been considered. The analysis of mechanisms of an unspecific interaction between PRIGs or NAbs and antigens evidences for the fact that essential differences exist between these substances. These differences permit classifying the abovementioned substances as different types of immunoglobulin molecules. The major difference between PRIGs and NAbs may include both the mechanisms of the above mentioned immunoglobulin molecules binding to antigens and their interaction affinity, as well as an absolutely different influence of some low-molecular substances on the efficiency of the interaction with antigens. Relying on the obtained data it can be assumed that, since PRIGs and NAbs have fundamental differences, they may perform not only similar but also different functions of the immune system.

A rack-mounted precision waveguide-below-cutoff attenuator with an absolute electronic readout

NASA Technical Reports Server (NTRS)

Cook, C. C.

1974-01-01

A coaxial precision waveguide-below-cutoff attenuator is described which uses an absolute (unambiguous) electronic digital readout of displacement in inches in addition to the usual gear driven mechanical counter-dial readout in decibels. The attenuator is rack-mountable and has the input and output RF connectors in a fixed position. The attenuation rate for 55, 50, and 30 MHz operation is given along with a discussion of sources of errors. In addition, information is included to aid the user in making adjustments on the attenuator should it be damaged or disassembled for any reason.

Physiological and structural differences in spatially distinct subpopulations of cardiac mitochondria: influence of cardiac pathologies

PubMed Central

Thapa, Dharendra; Shepherd, Danielle L.

2014-01-01

Cardiac tissue contains discrete pools of mitochondria that are characterized by their subcellular spatial arrangement. Subsarcolemmal mitochondria (SSM) exist below the cell membrane, interfibrillar mitochondria (IFM) reside in rows between the myofibrils, and perinuclear mitochondria are situated at the nuclear poles. Microstructural imaging of heart tissue coupled with the development of differential isolation techniques designed to sequentially separate spatially distinct mitochondrial subpopulations have revealed differences in morphological features including shape, absolute size, and internal cristae arrangement. These findings have been complemented by functional studies indicating differences in biochemical parameters and, potentially, functional roles for the ATP generated, based upon subcellular location. Consequently, mitochondrial subpopulations appear to be influenced differently during cardiac pathologies including ischemia/reperfusion, heart failure, aging, exercise, and diabetes mellitus. These influences may be the result of specific structural and functional disparities between mitochondrial subpopulations such that the stress elicited by a given cardiac insult differentially impacts subcellular locales and the mitochondria contained within. The goal of this review is to highlight some of the inherent structural and functional differences that exist between spatially distinct cardiac mitochondrial subpopulations as well as provide an overview of the differential impact of various cardiac pathologies on spatially distinct mitochondrial subpopulations. As an outcome, we will instill a basis for incorporating subcellular spatial location when evaluating the impact of cardiac pathologies on the mitochondrion. Incorporation of subcellular spatial location may offer the greatest potential for delineating the influence of cardiac pathology on this critical organelle. PMID:24778166

Determination of the absolute configuration of Chaetoviridins and other bioactive Azaphilones from the endophytic fungus Chaetomium globosum

USDA-ARS?s Scientific Manuscript database

Chemical investigation of an endophytic fungus Chaetomium globosum isolated from leaves of Wikstroemia uva-ursi led to the isolation of a new azaphilone, chaetoviridin J (1), and a new stereoisomer, chaetoviridin K (2), along with four known derivatives (3–6). The structures of azaphilones were dete...

The State Policy of Funding Higher Education under Public Budget Constraints

ERIC Educational Resources Information Center

Abankina, I. V.; Vynaryk, V. A.; Filatova, L. M.

2017-01-01

This article describes the changing face of institutions of higher education in Russia in comparison with other countries. It is shown that the ratios of funding sources for higher education in Russia are similar in structure to those in other countries. However, the absolute amounts of funding from these sources are three times less in Russia…

Identity Matters: The Centrality of "Conferred Identity" as Symbolic Power and Social Capital in Higher Education Mobility

ERIC Educational Resources Information Center

Holt, Brenda

2012-01-01

Although any "choice" young people make about higher education incorporates a subtle interplay of individual agency, circumstance and social structure, the centrality of identity in such life choices for rural young people cannot be underestimated. Since mobility is an ontological absolute for most rural young people accessing…

Derivational Suffixes as Cues to Stress Position in Reading Greek

ERIC Educational Resources Information Center

Grimani, Aikaterini; Protopapas, Athanassios

2017-01-01

Background: In languages with lexical stress, reading aloud must include stress assignment. Stress information sources across languages include word-final letter sequences. Here, we examine whether such sequences account for stress assignment in Greek and whether this is attributable to absolute rules involving accenting morphemes or to…

The three lives of viral fusion peptides

PubMed Central

Apellániz, Beatriz; Huarte, Nerea; Largo, Eneko; Nieva, José L.

2014-01-01

Fusion peptides comprise conserved hydrophobic domains absolutely required for the fusogenic activity of glycoproteins from divergent virus families. After 30 years of intensive research efforts, the structures and functions underlying their high degree of sequence conservation are not fully elucidated. The long-hydrophobic viral fusion peptide (VFP) sequences are structurally constrained to access three successive states after biogenesis. Firstly, the VFP sequence must fulfill the set of native interactions required for (meta) stable folding within the globular ectodomains of glycoprotein complexes. Secondly, at the onset of the fusion process, they get transferred into the target cell membrane and adopt specific conformations therein. According to commonly accepted mechanistic models, membrane-bound states of the VFP might promote the lipid bilayer remodeling required for virus-cell membrane merger. Finally, at least in some instances, several VFPs co-assemble with transmembrane anchors into membrane integral helical bundles, following a locking movement hypothetically coupled to fusion-pore expansion. Here we review different aspects of the three major states of the VFPs, including the functional assistance by other membrane-transferring glycoprotein regions, and discuss briefly their potential as targets for clinical intervention. PMID:24704587

Penicillospirone from a marine isolate of Penicillium sp. (SF-5292) with anti-inflammatory activity.

PubMed

Lee, Seungjun; Kim, Dong-Cheol; Park, Jin-Soo; Son, Jae-Young; Hak Sohn, Jae; Liu, Ling; Che, Yongsheng; Oh, Hyuncheol

2017-08-01

Chemical investigation of the EtOAc extract of a marine-derived fungal isolate Penicillium sp. SF-5292 yielded a new polyketide-type metabolite, penicillospirone (1). The structure of 1 was determined by analysis of spectroscopic data such as 1D and 2D NMR spectra and MS data, and the final structure including absolute configuration was unambiguously established by single-crystal X-ray diffraction analysis. In the evaluation of its anti-inflammatory effects, 1 inhibited the overproduction of nitric oxide (NO) and prostaglandin E 2 (PGE 2 ) in lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages and BV2 microglia, and these inhibitory effects were correlated with the suppressive effect of 1 against overexpressions of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2). Furthermore, 1 also inhibited the production of pro-inflammatory cytokines such as tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β), IL-6, and IL-12. Overall, the anti-inflammatory effect of 1 was suggested to be mediated through the negative regulation of NF-κB pathway. Copyright © 2017 Elsevier Ltd. All rights reserved.

Antifungal Activity of Eucalyptus Oil against Rice Blast Fungi and the Possible Mechanism of Gene Expression Pattern.

PubMed

Zhou, Li-Jun; Li, Fu-Rong; Huang, Li-Jie; Yang, Zhi-Rong; Yuan, Shu; Bai, Lin-Han

2016-05-12

Eucalyptus oil possesses a wide spectrum of biological activity, including anti-microbial, fungicidal, herbicidal, acaricidal and nematicidal properties. We studied anti-fungal activities of the leaf oil extracted from Eucalyptus. grandis × E. urophylla. Eleven plant pathogenic fungi were tested based on the mycelium growth rates with negative control. The results showed that Eucalyptus oil has broad-spectrum inhibitory effects toward these fungi. Remarkable morphological and structural alterations of hypha have been observed for Magnaporthe grisea after the treatment. The mRNA genome array of M. grisea was used to detect genes that were differentially expressed in the test strains treated by the Eucalyptus oil than the normal strains. The results showed 1919 genes were significantly affected, among which 1109 were down-regulated and 810 were up-regulated (p < 0.05, absolute fold change >2). According to gene ontology annotation analysis, these differentially expressed genes may cause abnormal structures and physiological function disorders, which may reduce the fungus growth. These results show the oil has potential for use in the biological control of plant disease as a green biopesticide.

Imaging the Fine-Scale Structure of the San Andreas Fault in the Northern Gabilan Range with Explosion and Earthquake Sources

NASA Astrophysics Data System (ADS)

Xin, H.; Thurber, C. H.; Zhang, H.; Wang, F.

2014-12-01

A number of geophysical studies have been carried out along the San Andreas Fault (SAF) in the Northern Gabilan Range (NGR) with the purpose of characterizing in detail the fault zone structure. Previous seismic research has revealed the complex structure of the crustal volume in the NGR region in two-dimensions (Thurber et al., 1996, 1997), and there has been some work on the three-dimensional (3D) structure at a coarser scale (Lin and Roecker, 1997). In our study we use earthquake body-wave arrival times and differential times (P and S) and explosion arrival times (only P) to image the 3D P- and S-wave velocity structure of the upper crust along the SAF in the NGR using double-difference (DD) tomography. The earthquake and explosion data types have complementary strengths - the earthquake data have good resolution at depth and resolve both Vp and Vs structure, although only where there are sufficient seismic rays between hypocenter and stations, whereas the explosions contribute very good near-surface resolution but for P waves only. The original dataset analyzed by Thurber et al. (1996, 1997) included data from 77 local earthquakes and 8 explosions. We enlarge the dataset with 114 more earthquakes that occurred in the study area, obtain improved S-wave picks using an automated picker, and include absolute and cross-correlation differential times. The inversion code we use is the algorithm tomoDD (Zhang and Thurber, 2003). We assess how the P and S velocity models and earthquake locations vary as we alter the inversion parameters and the inversion grid. The new inversion results show clearly the fine-scale structure of the SAF at depth in 3D, sharpening the image of the velocity contrast from the southwest side to the northeast side.

Synthesis and structure elucidation of a series of pyranochromene chalcones and flavanones using 1D and 2D NMR spectroscopy and X-ray crystallography.

PubMed

Pawar, Sunayna S; Koorbanally, Neil A

2014-06-01

A series of novel pyranochromene chalcones and corresponding flavanones were synthesized. This is the first report on the confirmation of the absolute configuration of chromene-based flavanones using X-ray crystallography. These compounds were characterized by 2D NMR spectroscopy, and their assignments are reported herein. The 3D structure of the chalcone 3b and flavanone 4g was determined by X-ray crystallography, and the structure of the flavanone was confirmed to be in the S configuration at C-2. Copyright © 2014 John Wiley & Sons, Ltd.

Structure determination of two new indole-diterpenoids from Penicillium sp. CM-7 by NMR spectroscopy.

PubMed

Zhang, Yu-Hong; Huang, Sheng-Dong; Pan, Hua-Qi; Bian, Xi-Qing; Wang, Zai-Ying; Han, Ai-Hong; Bai, Jiao

2014-06-01

Two new indole-diterpenoids 4b-deoxy-1'-O-acetylpaxilline (1) and 4b-deoxypenijanthine A (2) were isolated from the fermentation broth and the mycelia of the soil fungus Penicillium sp. CM-7, along with three known structurally related compounds, 1'-O-acetylpaxilline (3), paspaline (4) and 3-deoxo-4b-deoxypaxilline (5). The structures of compounds 1 and 2 were elucidated by extensive spectroscopic methods, especially 2D NMR, and their absolute configurations were suggested on the basis of the circular dichroism spectral analysis and the NOESY data. Copyright © 2014 John Wiley & Sons, Ltd.

Xylopiana A, a Dimeric Guaiane with a Case-Shaped Core from Xylopia vielana: Structural Elucidation and Biomimetic Conversion.

PubMed

Zhang, Ya-Long; Zhou, Xu-Wei; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Yin, Yong; Luo, Jian-Guang; Kong, Ling-Yi

2017-06-02

Xylopiana A (1), a dimeric guaiane with an unprecedented pentacyclo[5.2.1.0 1,2 .0 4,5' .0 5,4' ]decane-3,2'-dione core, and three biosynthetically related intermediates, compounds 2-4, were isolated from the leaves of Xylopia vielana. Their structures and absolute configurations were determined by a combination of spectroscopic data, X-ray crystallography, electronic circular dichroism calculations, and chemical conversion. The structure of known vielanin A was revised to be compound 3. Compound 4 exerted a 3.7-fold potentiation effect on doxorubicin susceptibility at the tested concentration of 10 μM.

Jasminum sambac flower absolutes from India and China--geographic variations.

PubMed

Braun, Norbert A; Sim, Sherina

2012-05-01

Seven Jasminum sambac flower absolutes from different locations in the southern Indian state of Tamil Nadu were analyzed using GC and GC-MS. Focus was placed on 41 key ingredients to investigate geographic variations in this species. These seven absolutes were compared with an Indian bud absolute and commercially available J. sambac flower absolutes from India and China. All absolutes showed broad variations for the 10 main ingredients between 8% and 96%. In addition, the odor of Indian and Chinese J. sambac flower absolutes were assessed.

Evaluating the Relative Environmental Impact of Countries

PubMed Central

Bradshaw, Corey J. A.; Giam, Xingli; Sodhi, Navjot S.

2010-01-01

Environmental protection is critical to maintain ecosystem services essential for human well-being. It is important to be able to rank countries by their environmental impact so that poor performers as well as policy ‘models’ can be identified. We provide novel metrics of country-specific environmental impact ranks – one proportional to total resource availability per country and an absolute (total) measure of impact – that explicitly avoid incorporating confounding human health or economic indicators. Our rankings are based on natural forest loss, habitat conversion, marine captures, fertilizer use, water pollution, carbon emissions and species threat, although many other variables were excluded due to a lack of country-specific data. Of 228 countries considered, 179 (proportional) and 171 (absolute) had sufficient data for correlations. The proportional index ranked Singapore, Korea, Qatar, Kuwait, Japan, Thailand, Bahrain, Malaysia, Philippines and Netherlands as having the highest proportional environmental impact, whereas Brazil, USA, China, Indonesia, Japan, Mexico, India, Russia, Australia and Peru had the highest absolute impact (i.e., total resource use, emissions and species threatened). Proportional and absolute environmental impact ranks were correlated, with mainly Asian countries having both high proportional and absolute impact. Despite weak concordance among the drivers of environmental impact, countries often perform poorly for different reasons. We found no evidence to support the environmental Kuznets curve hypothesis of a non-linear relationship between impact and per capita wealth, although there was a weak reduction in environmental impact as per capita wealth increases. Using structural equation models to account for cross-correlation, we found that increasing wealth was the most important driver of environmental impact. Our results show that the global community not only has to encourage better environmental performance in less-developed countries, especially those in Asia, there is also a requirement to focus on the development of environmentally friendly practices in wealthier countries. PMID:20454670

Visuospatial Working Memory in Toddlers with a History of Periventricular Leukomalacia: An EEG Narrow-Band Power Analysis

PubMed Central

García-Gomar, María Luisa; Santiago-Rodríguez, Efraín; Rodríguez-Camacho, Mario; Harmony, Thalía

2013-01-01

Background Periventricular Leukomalacia (PVL) affects white matter, but grey matter injuries have also been reported, particularly in the dorsomedial nucleus and the cortex. Both structures have been related to working memory (WM) processes. The aim of this study was to compare behavioral performances and EEG power spectra during a visuospatial working memory task (VSWMT) of toddlers with a history of PVL and healthy toddlers. Methodology/Principal Findings A prospective, comparative study of WM was conducted in toddlers with a history of PVL and healthy toddlers. The task responses and the EEG narrow-band power spectra during a VSWMT were compared in both groups. The EEG absolute power was analyzed during the following three conditions: baseline, attention and WM retention. The number of correct responses was higher in the healthy group (20.5±5.0) compared to the PVL group (16.1±3.9) (p = 0.04). The healthy group had absolute power EEG increases (p≤0.05) during WM compared to the attention condition in the bilateral frontal and right temporal, parietal and occipital regions in frequencies ranging from 1.17 to 2.34 Hz and in the right temporal, parietal and occipital regions in frequencies ranging from 14.06 to 15.23 Hz. In contrast, the PVL group had absolute power increases (p≤0.05) in the bilateral fronto-parietal, left central and occipital regions in frequencies that ranged from 1.17 to 3.52 Hz and in the bilateral frontal and right temporal regions in frequencies ranging from 9.37 to 19.14 Hz. Conclusions/Significance This study provides evidence that PVL toddlers have visuospatial WM deficits and a very different pattern of absolute power increases compared to a healthy group of toddlers, with greater absolute power in the low frequency range and widespread neuronal networks in the WM retention phase. PMID:23922816

Visuospatial working memory in toddlers with a history of periventricular Leukomalacia: an EEG narrow-band power analysis.

PubMed

García-Gomar, María Luisa; Santiago-Rodríguez, Efraín; Rodríguez-Camacho, Mario; Harmony, Thalía

2013-01-01

Periventricular Leukomalacia (PVL) affects white matter, but grey matter injuries have also been reported, particularly in the dorsomedial nucleus and the cortex. Both structures have been related to working memory (WM) processes. The aim of this study was to compare behavioral performances and EEG power spectra during a visuospatial working memory task (VSWMT) of toddlers with a history of PVL and healthy toddlers. A prospective, comparative study of WM was conducted in toddlers with a history of PVL and healthy toddlers. The task responses and the EEG narrow-band power spectra during a VSWMT were compared in both groups. The EEG absolute power was analyzed during the following three conditions: baseline, attention and WM retention. The number of correct responses was higher in the healthy group (20.5 ± 5.0) compared to the PVL group (16.1 ± 3.9) (p = 0.04). The healthy group had absolute power EEG increases (p ≤ 0.05) during WM compared to the attention condition in the bilateral frontal and right temporal, parietal and occipital regions in frequencies ranging from 1.17 to 2.34 Hz and in the right temporal, parietal and occipital regions in frequencies ranging from 14.06 to 15.23 Hz. In contrast, the PVL group had absolute power increases (p ≤ 0.05) in the bilateral fronto-parietal, left central and occipital regions in frequencies that ranged from 1.17 to 3.52 Hz and in the bilateral frontal and right temporal regions in frequencies ranging from 9.37 to 19.14 Hz. This study provides evidence that PVL toddlers have visuospatial WM deficits and a very different pattern of absolute power increases compared to a healthy group of toddlers, with greater absolute power in the low frequency range and widespread neuronal networks in the WM retention phase.

Male Breast Cancer Incidence and Mortality Risk in the Japanese Atomic Bomb Survivors – Differences in Excess Relative and Absolute Risk from Female Breast Cancer

PubMed Central

Little, Mark P.; McElvenny, Damien M.

2016-01-01

Background: There are well-known associations of ionizing radiation with female breast cancer, and emerging evidence also for male breast cancer. In the United Kingdom, female breast cancer following occupational radiation exposure is among that set of cancers eligible for state compensation and consideration is currently being given to an extension to include male breast cancer. Objectives: We compare radiation-associated excess relative and absolute risks of male and female breast cancers. Methods: Breast cancer incidence and mortality data in the Japanese atomic-bomb survivors were analyzed using relative and absolute risk models via Poisson regression. Results: We observed significant (p ≤ 0.01) dose-related excess risk for male breast cancer incidence and mortality. For incidence and mortality data, there are elevations by factors of approximately 15 and 5, respectively, of relative risk for male compared with female breast cancer incidence, the former borderline significant (p = 0.050). In contrast, for incidence and mortality data, there are elevations by factors of approximately 20 and 10, respectively, of female absolute risk compared with male, both statistically significant (p < 0.001). There are no indications of differences between the sexes in age/time-since-exposure/age-at-exposure modifications to the relative or absolute excess risk. The probability of causation of male breast cancer following radiation exposure exceeds by at least a factor of 5 that of many other malignancies. Conclusions: There is evidence of much higher radiation-associated relative risk for male than for female breast cancer, although absolute excess risks for males are much less than for females. However, the small number of male cases and deaths suggests a degree of caution in interpretation of this finding. Citation: Little MP, McElvenny DM. 2017. Male breast cancer incidence and mortality risk in the Japanese atomic bomb survivors – differences in excess relative and absolute risk from female breast cancer. Environ Health Perspect 125:223–229; http://dx.doi.org/10.1289/EHP151 PMID:27286002

Composition operators with weak hyponormality

NASA Astrophysics Data System (ADS)

Burnap, Charles; Jung, Il Bong

2008-01-01

There are many operator classes that are weaker than p-hyponormal. These include p-quasihyponormal, absolute p-paranormal, p-paranormal, normaloid, and spectraloid. In this note, we discuss measure theoretic composition operators in these classes.

What to include in your birth plan

MedlinePlus

... methods, and other options that are available during childbirth. Your birth plan can be very specific or ... to try to have an unmedicated, or "natural," childbirth, and others know they absolutely do not want ...

A Charles' Law Experiment for Beginning Students.

ERIC Educational Resources Information Center

Rockley, Mark G.; Rockley, Natalie L.

1995-01-01

Describes an experiment designed to measure absolute zero using Charles' Law without the use of mercury. Provides the procedure and details of the apparatus and includes experimental results obtained using the apparatus. (DDR)

Experimental benchmark for an improved simulation of absolute soft-x-ray emission from polystyrene targets irradiated with the Nike laser.

PubMed

Weaver, J L; Busquet, M; Colombant, D G; Mostovych, A N; Feldman, U; Klapisch, M; Seely, J F; Brown, C; Holland, G

2005-02-04

Absolutely calibrated, time-resolved spectral intensity measurements of soft-x-ray emission (hnu approximately 0.1-1.0 keV) from laser-irradiated polystyrene targets are compared to radiation-hydrodynamic simulations that include our new postprocessor, Virtual Spectro. This new capability allows a unified, detailed treatment of atomic physics and radiative transfer in nonlocal thermodynamic equilibrium conditions for simple spectra from low-Z materials as well as complex spectra from high-Z materials. The excellent agreement (within a factor of approximately 1.5) demonstrates the powerful predictive capability of the codes for the complex conditions in the ablating plasma. A comparison to data with high spectral resolution (E/deltaE approximately 1000) emphasizes the importance of including radiation coupling in the quantitative simulation of emission spectra.

A comparison between porcine, ovine, and bovine intervertebral disc anatomy and single lamella annulus fibrosus tensile properties.

PubMed

Monaco, Lauren A; DeWitte-Orr, Stephanie J; Gregory, Diane E

2016-02-01

This project aimed to compare gross anatomical measures and biomechanical properties of single lamellae from the annulus fibrosus of ovine and porcine lumbar vertebrae, and bovine tail vertebrae. The morphology of the vertebrae of these species differ significantly both from each other and from human, yet how these differences alter biomechanical properties is unknown. Geometric parameters measured in this study included: 1) absolute and relative intervertebral (IVD) and vertebral body height and 2) absolute and relative intervertebral disc (IVD) anterior-posterior (AP) and medial-lateral (ML) widths. Single lamella tensile properties included toe-region stress and stretch ratio, stiffness, and tensile strength. As expected, the bovine tail IVD revealed a more circular shape compared with both the ovine and porcine lumbar IVD. The bovine tail also had the largest IVD to vertebral body height ratio (due to having the highest absolute IVD height). Bovine tail lamellae were also found to be strongest and stiffest (in tension) while ovine lumbar lamellae were weakest and most compliant. Histological analysis revealed the greatest proportion of collagen in the bovine corroborating findings of increased strength and stiffness. The observed differences in anatomical shape, connective tissue composition, and tensile properties need to be considered when choosing an appropriate model for IVD research. © 2015 Wiley Periodicals, Inc.

Surgical decompression for space-occupying cerebral infarction: outcomes at 3 years in the randomized HAMLET trial.

PubMed

Geurts, Marjolein; van der Worp, H Bart; Kappelle, L Jaap; Amelink, G Johan; Algra, Ale; Hofmeijer, Jeannette

2013-09-01

We assessed whether the effects of surgical decompression for space-occupying hemispheric infarction, observed at 1 year, are sustained at 3 years. Patients with space-occupying hemispheric infarction, who were enrolled in the Hemicraniectomy After Middle cerebral artery infarction with Life-threatening Edema Trial within 4 days after stroke onset, were followed up at 3 years. Outcome measures included functional outcome (modified Rankin Scale), death, quality of life, and place of residence. Poor functional outcome was defined as modified Rankin Scale >3. Of 64 included patients, 32 were randomized to decompressive surgery and 32 to best medical treatment. Just as at 1 year, surgery had no effect on the risk of poor functional outcome at 3 years (absolute risk reduction, 1%; 95% confidence interval, -21 to 22), but it reduced case fatality (absolute risk reduction, 37%; 95% confidence interval, 14-60). Sixteen surgically treated patients and 8 controls lived at home (absolute risk reduction, 27%; 95% confidence interval, 4-50). Quality of life improved between 1 and 3 years in patients treated with surgery. In patients with space-occupying hemispheric infarction, the effects of decompressive surgery on case fatality and functional outcome observed at 1 year are sustained at 3 years. http://www.controlled-trials.com. Unique identifier: ISRCTN94237756.

Absolute dose calculations for Monte Carlo simulations of radiotherapy beams

NASA Astrophysics Data System (ADS)

Popescu, I. A.; Shaw, C. P.; Zavgorodni, S. F.; Beckham, W. A.

2005-07-01

Monte Carlo (MC) simulations have traditionally been used for single field relative comparisons with experimental data or commercial treatment planning systems (TPS). However, clinical treatment plans commonly involve more than one field. Since the contribution of each field must be accurately quantified, multiple field MC simulations are only possible by employing absolute dosimetry. Therefore, we have developed a rigorous calibration method that allows the incorporation of monitor units (MU) in MC simulations. This absolute dosimetry formalism can be easily implemented by any BEAMnrc/DOSXYZnrc user, and applies to any configuration of open and blocked fields, including intensity-modulated radiation therapy (IMRT) plans. Our approach involves the relationship between the dose scored in the monitor ionization chamber of a radiotherapy linear accelerator (linac), the number of initial particles incident on the target, and the field size. We found that for a 10 × 10 cm2 field of a 6 MV photon beam, 1 MU corresponds, in our model, to 8.129 × 1013 ± 1.0% electrons incident on the target and a total dose of 20.87 cGy ± 1.0% in the monitor chambers of the virtual linac. We present an extensive experimental verification of our MC results for open and intensity-modulated fields, including a dynamic 7-field IMRT plan simulated on the CT data sets of a cylindrical phantom and of a Rando anthropomorphic phantom, which were validated by measurements using ionization chambers and thermoluminescent dosimeters (TLD). Our simulation results are in excellent agreement with experiment, with percentage differences of less than 2%, in general, demonstrating the accuracy of our Monte Carlo absolute dose calculations.

Statistical Analysis on the Performance of Molecular Mechanics Poisson–Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study

PubMed Central

2017-01-01

Binding free energy calculations that make use of alchemical pathways are becoming increasingly feasible thanks to advances in hardware and algorithms. Although relative binding free energy (RBFE) calculations are starting to find widespread use, absolute binding free energy (ABFE) calculations are still being explored mainly in academic settings due to the high computational requirements and still uncertain predictive value. However, in some drug design scenarios, RBFE calculations are not applicable and ABFE calculations could provide an alternative. Computationally cheaper end-point calculations in implicit solvent, such as molecular mechanics Poisson–Boltzmann surface area (MMPBSA) calculations, could too be used if one is primarily interested in a relative ranking of affinities. Here, we compare MMPBSA calculations to previously performed absolute alchemical free energy calculations in their ability to correlate with experimental binding free energies for three sets of bromodomain–inhibitor pairs. Different MMPBSA approaches have been considered, including a standard single-trajectory protocol, a protocol that includes a binding entropy estimate, and protocols that take into account the ligand hydration shell. Despite the improvements observed with the latter two MMPBSA approaches, ABFE calculations were found to be overall superior in obtaining correlation with experimental affinities for the test cases considered. A difference in weighted average Pearson () and Spearman () correlations of 0.25 and 0.31 was observed when using a standard single-trajectory MMPBSA setup ( = 0.64 and = 0.66 for ABFE; = 0.39 and = 0.35 for MMPBSA). The best performing MMPBSA protocols returned weighted average Pearson and Spearman correlations that were about 0.1 inferior to ABFE calculations: = 0.55 and = 0.56 when including an entropy estimate, and = 0.53 and = 0.55 when including explicit water molecules. Overall, the study suggests that ABFE calculations are indeed the more accurate approach, yet there is also value in MMPBSA calculations considering the lower compute requirements, and if agreement to experimental affinities in absolute terms is not of interest. Moreover, for the specific protein–ligand systems considered in this study, we find that including an explicit ligand hydration shell or a binding entropy estimate in the MMPBSA calculations resulted in significant performance improvements at a negligible computational cost. PMID:28786670

ent-Kaurane Diterpenoids with Neuroprotective Properties from Corn Silk ( Zea mays).

PubMed

Qi, Xiao-Li; Zhang, Ying-Ying; Zhao, Peng; Zhou, Le; Wang, Xiao-Bo; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang

2018-05-25

Thirteen new ent-kaurane diterpenoids, stigmaydenes A-M (1-13), together with two known compounds (14, 15), were isolated from the crude extract of corn silk ( Zea mays). The structures of the compounds were confirmed by comprehensive spectroscopic analyses. The absolute configuration of compound 1 was defined by single-crystal X-ray diffraction. The absolute configurations of the compounds were also confirmed by comparison of experimental and calculated specific rotations. The compounds were evaluated for their neuroprotective effects against H 2 O 2 -induced SH-SY5Y cell injury, and compound 8 was active at 100 μM, as determined by flow cytometry (annexin V-FITC/PI staining) and Hoechst 33258 staining. The results suggested that compound 8 could protect neuronal cells from H 2 O 2 -induced injury by inhibiting apoptosis in SH-SY5Y cells.

Bioactive Phenanthrene and Bibenzyl Derivatives from the Stems of Dendrobium nobile.

PubMed

Zhou, Xue-Ming; Zheng, Cai-Juan; Gan, Li-She; Chen, Guang-Ying; Zhang, Xiao-Peng; Song, Xiao-Ping; Li, Gao-Nan; Sun, Chong-Ge

2016-07-22

A new enantiomeric pair of spirodiketones, (+)- and (-)-denobilone A (1 and 2), three new phenanthrene derivatives (3-5), and three new biphenanthrenes (22-24), along with 11 known phenanthrene derivatives (6-16), five known bibenzyl derivatives (17-21), and four known biphenanthrenes (25-28), were isolated from Dendrobium nobile. The structures of 1-5 and 22-24 were elucidated using comprehensive spectroscopic methods. (+)-Denobilone and (-)-denobilone A (1 and 2) were isolated as a pair of enantiomers by chiral HPLC. The absolute configurations of (+)- and (-)-denobilone A (1 and 2) were determined by comparing their experimental and calculated electronic circular dichroism spectra. The absolute configuration of denobilone B (3) was determined by X-ray crystallographic analysis. The inhibitory activities of all compounds against nine phytopathogenic fungi and three cancer cell lines were evaluated.

Loddigesiinols G-J: α-glucosidase inhibitors from Dendrobium loddigesii.

PubMed

Lu, Yu; Kuang, Ming; Hu, Gu-Ping; Wu, Rui-Bo; Wang, Jun; Liu, Lan; Lin, Yong-Cheng

2014-06-23

Four new polyphenols, loddigesiinols G-J (compounds 1-4) and a known compound, crepidatuol B (5), were isolated from the stems of Dendrobium loddigesii that have long been used in Traditional Chinese Medicine and have recently been used to treat type 2 diabetes. Compounds 1-5 structures were elucidated based on spectroscopic analysis. The absolute configurations of compounds 1-4 were determined using theoretical calculations of electronic circular dichroism (ECD), and the absolute configuration of compound 5 was determined by a comparison of the experimental ECD spectra and the literature data. Compounds 1-5 are strong inhibitors of α-glucosidase, with IC50 values of 16.7, 10.9, 2.7, 3.2, and 18.9 μM, respectively. Their activities were significantly stronger than trans-resveratrol as a positive control (IC50 values of 27.9 μM).

A density-functional study of the phase diagram of cementite-type (Fe,Mn)3C at absolute zero temperature.

PubMed

Von Appen, Jörg; Eck, Bernhard; Dronskowski, Richard

2010-11-15

The phase diagram of (Fe(1-x) Mn(x))(3)C has been investigated by means of density-functional theory (DFT) calculations at absolute zero temperature. The atomic distributions of the metal atoms are not random-like as previously proposed but we find three different, ordered regions within the phase range. The key role is played by the 8d metal site which forms, as a function of the composition, differing magnetic layers, and these dominate the physical properties. We calculated the magnetic moments, the volumes, the enthalpies of mixing and formation of 13 different compositions and explain the changes of the macroscopic properties with changes in the electronic and magnetic structures by means of bonding analyses using the Crystal Orbital Hamilton Population (COHP) technique. 2010 Wiley Periodicals, Inc.

Meta-Stable Magnetic Domain States That Prevent Reliable Absolute Palaeointensity Experiments Revealed By Magnetic Force Microscopy

NASA Astrophysics Data System (ADS)

de Groot, L. V.; Fabian, K.; Bakelaar, I. A.; Dekkers, M. J.

2014-12-01

Obtaining reliable estimates of the absolute palaeointensity of the Earth's magnetic field is notoriously difficult. Many methods to obtain paleointensities from suitable records such as lavas and archeological artifacts involve heating the samples. These heating steps are believed to induce 'magnetic alteration' - a process that is still poorly understood but prevents obtaining correct paleointensity estimates. To observe this magnetic alteration directly we imaged the magnetic domain state of titanomagnetite particles - a common carrier of the magnetic remanence in samples used for paleointensity studies. We selected samples from the 1971-flow of Mt. Etna from a site that systematically yields underestimates of the known intensity of the paleofield - in spite of rigorous testing by various groups. Magnetic Force Microscope images were taken before and after a heating step typically used in absolute palaeointensity experiments. Before heating, the samples feature distinct, blocky domains that sometimes seem to resemble a classical magnetite domain structure. After imparting a partial thermo-remanent magnetization at a temperature often critical to paleointensity experiments (250 °C) the domain state of the same titanomagnetite grains changes into curvier, wavy domains. Furthermore, these structures appeared to be unstable over time: after one-year storage in a magnetic field-free environment the domain states evolved into a viscous remanent magnetization state. Our observations may qualitatively explain reported underestimates from technically successful paleointensity experiments for this site and other sites reported previously. Furthermore the occurrence of intriguing observations such as 'the drawer storage effect' by Shaar et al (EPSL, 2011), and viscous magnetizations observed by Muxworthy and Williams (JGR, 2006) may be (partially) explained by our observations. The major implications of our study for all palaeointensity methods involving heating may be evident.

A Statistical Analysis of the Relationship between Harmonic Surprise and Preference in Popular Music.

PubMed

Miles, Scott A; Rosen, David S; Grzywacz, Norberto M

2017-01-01

Studies have shown that some musical pieces may preferentially activate reward centers in the brain. Less is known, however, about the structural aspects of music that are associated with this activation. Based on the music cognition literature, we propose two hypotheses for why some musical pieces are preferred over others. The first, the Absolute-Surprise Hypothesis, states that unexpected events in music directly lead to pleasure. The second, the Contrastive-Surprise Hypothesis, proposes that the juxtaposition of unexpected events and subsequent expected events leads to an overall rewarding response. We tested these hypotheses within the framework of information theory, using the measure of "surprise." This information-theoretic variable mathematically describes how improbable an event is given a known distribution. We performed a statistical investigation of surprise in the harmonic structure of songs within a representative corpus of Western popular music, namely, the McGill Billboard Project corpus. We found that chords of songs in the top quartile of the Billboard chart showed greater average surprise than those in the bottom quartile. We also found that the different sections within top-quartile songs varied more in their average surprise than the sections within bottom-quartile songs. The results of this study are consistent with both the Absolute- and Contrastive-Surprise Hypotheses. Although these hypotheses seem contradictory to one another, we cannot yet discard the possibility that both absolute and contrastive types of surprise play roles in the enjoyment of popular music. We call this possibility the Hybrid-Surprise Hypothesis. The results of this statistical investigation have implications for both music cognition and the human neural mechanisms of esthetic judgments.

A Statistical Analysis of the Relationship between Harmonic Surprise and Preference in Popular Music

PubMed Central

Miles, Scott A.; Rosen, David S.; Grzywacz, Norberto M.

2017-01-01

Studies have shown that some musical pieces may preferentially activate reward centers in the brain. Less is known, however, about the structural aspects of music that are associated with this activation. Based on the music cognition literature, we propose two hypotheses for why some musical pieces are preferred over others. The first, the Absolute-Surprise Hypothesis, states that unexpected events in music directly lead to pleasure. The second, the Contrastive-Surprise Hypothesis, proposes that the juxtaposition of unexpected events and subsequent expected events leads to an overall rewarding response. We tested these hypotheses within the framework of information theory, using the measure of “surprise.” This information-theoretic variable mathematically describes how improbable an event is given a known distribution. We performed a statistical investigation of surprise in the harmonic structure of songs within a representative corpus of Western popular music, namely, the McGill Billboard Project corpus. We found that chords of songs in the top quartile of the Billboard chart showed greater average surprise than those in the bottom quartile. We also found that the different sections within top-quartile songs varied more in their average surprise than the sections within bottom-quartile songs. The results of this study are consistent with both the Absolute- and Contrastive-Surprise Hypotheses. Although these hypotheses seem contradictory to one another, we cannot yet discard the possibility that both absolute and contrastive types of surprise play roles in the enjoyment of popular music. We call this possibility the Hybrid-Surprise Hypothesis. The results of this statistical investigation have implications for both music cognition and the human neural mechanisms of esthetic judgments. PMID:28572763

An Automatic Procedure for Combining Digital Images and Laser Scanner Data

NASA Astrophysics Data System (ADS)

Moussa, W.; Abdel-Wahab, M.; Fritsch, D.

2012-07-01

Besides improving both the geometry and the visual quality of the model, the integration of close-range photogrammetry and terrestrial laser scanning techniques directs at filling gaps in laser scanner point clouds to avoid modeling errors, reconstructing more details in higher resolution and recovering simple structures with less geometric details. Thus, within this paper a flexible approach for the automatic combination of digital images and laser scanner data is presented. Our approach comprises two methods for data fusion. The first method starts by a marker-free registration of digital images based on a point-based environment model (PEM) of a scene which stores the 3D laser scanner point clouds associated with intensity and RGB values. The PEM allows the extraction of accurate control information for the direct computation of absolute camera orientations with redundant information by means of accurate space resection methods. In order to use the computed relations between the digital images and the laser scanner data, an extended Helmert (seven-parameter) transformation is introduced and its parameters are estimated. Precedent to that, in the second method, the local relative orientation parameters of the camera images are calculated by means of an optimized Structure and Motion (SaM) reconstruction method. Then, using the determined transformation parameters results in having absolute oriented images in relation to the laser scanner data. With the resulting absolute orientations we have employed robust dense image reconstruction algorithms to create oriented dense image point clouds, which are automatically combined with the laser scanner data to form a complete detailed representation of a scene. Examples of different data sets are shown and experimental results demonstrate the effectiveness of the presented procedures.

Structure elucidation of nigricanoside A through enantioselective total synthesis† †Electronic supplementary information (ESI) available: Complete experimental details and characterization data. See DOI: 10.1039/c5sc00281h Click here for additional data file.

PubMed Central

Chen, Jie; Koswatta, Panduka; DeBergh, J. Robb; Fu, Peng; Pan, Ende

2015-01-01

Nigricanoside A was isolated from green alga, and its dimethyl ester was found to display potent cytotoxicity. Its scarcity prevented a full structure elucidation, leaving total synthesis as the only means to determine its relative and absolute stereochemistry and to explore its biological activity. Here we assign the stereochemistry of the natural product through enantioselective total synthesis and provide initial studies of its cytotoxicity. PMID:26877863

Computing the universe: how large-scale simulations illuminate galaxies and dark energy

NASA Astrophysics Data System (ADS)

O'Shea, Brian

2015-04-01

High-performance and large-scale computing is absolutely to understanding astronomical objects such as stars, galaxies, and the cosmic web. This is because these are structures that operate on physical, temporal, and energy scales that cannot be reasonably approximated in the laboratory, and whose complexity and nonlinearity often defies analytic modeling. In this talk, I show how the growth of computing platforms over time has facilitated our understanding of astrophysical and cosmological phenomena, focusing primarily on galaxies and large-scale structure in the Universe.

Optically induced excitonic electroabsorption in a periodically delta-doped InGaAs/GaAs multiple quantum well structure

NASA Technical Reports Server (NTRS)

Larsson, A.; Maserjian, J.

1991-01-01

Large optically induced Stark shifts have been observed in a periodically delta-doped InGaAs/GaAs multiple quantum well structure. With an excitation intensity of 10 mW/sq cm, an absolute quantum well absorption change of 7000/cm was measured with a corresponding differential absorption change as high as 80 percent. The associated maximum change in the quantum well refractive index is 0.04. This material is promising for device development for all-optical computing and signal processing.

Isolation and structure elucidation of the nucleoside antibiotic strepturidin from Streptomyces albus DSM 40763.

PubMed

Pesic, Alexander; Steinhaus, Britta; Kemper, Sebastian; Nachtigall, Jonny; Kutzner, Hans Jürgen; Höfle, Gerhard; Süssmuth, Roderich D

2014-06-01

The antibiotic strepturidin (1) was isolated from the microorganism Streptomyces albus DSM 40763, and its structure elucidated by spectroscopic methods and chemical degradation studies. The determination of the relative and absolute stereocenters was partially achieved using chiral GC/EI-MS analysis and microderivatization by acetal ring formation and subsequent 2D-NMR analysis of key (1)H,(1)H-NOESY NMR correlations and extraction of (1)H,(13)C coupling constants from (1)H,(13)C-HMBC NMR spectra. Based on these results, a biosynthesis model was proposed.

Results of the first North American comparison of absolute gravimeters, NACAG-2010

USGS Publications Warehouse

Schmerge, David; Francis, Olvier; Henton, J.; Ingles, D.; Jones, D.; Kennedy, Jeffrey R.; Krauterbluth, K.; Liard, J.; Newell, D.; Sands, R.; Schiel, J.; Silliker, J.; van Westrum, D.

2012-01-01

The first North American Comparison of absolute gravimeters (NACAG-2010) was hosted by the National Oceanic and Atmospheric Administration at its newly renovated Table Mountain Geophysical Observatory (TMGO) north of Boulder, Colorado, in October 2010. NACAG-2010 and the renovation of TMGO are part of NGS’s GRAV-D project (Gravity for the Redefinition of the American Vertical Datum). Nine absolute gravimeters from three countries participated in the comparison. Before the comparison, the gravimeter operators agreed to a protocol describing the strategy to measure, calculate, and present the results. Nine sites were used to measure the free-fall acceleration of g. Each gravimeter measured the value of g at a subset of three of the sites, for a total set of 27 g-values for the comparison. The absolute gravimeters agree with one another with a standard deviation of 1.6 µGal (1 Gal = 1 cm s-2). The minimum and maximum offsets are -2.8 and 2.7 µGal. This is an excellent agreement and can be attributed to multiple factors, including gravimeters that were in good working order, good operators, a quiet observatory, and a short duration time for the experiment. These results can be used to standardize gravity surveys internationally.

Levelized cost of energy (LCOE) metric to characterize solar absorber coatings for the CSP industry

DOE PAGES

Boubault, Antoine; Ho, Clifford K.; Hall, Aaron; ...

2015-07-08

The contribution of each component of a power generation plant to the levelized cost of energy (LCOE) can be estimated and used to increase the power output while reducing system operation and maintenance costs. The LCOE is used in order to quantify solar receiver coating influence on the LCOE of solar power towers. Two new parameters are introduced: the absolute levelized cost of coating (LCOC) and the LCOC efficiency. Depending on the material properties, aging, costs, and temperature, the absolute LCOC enables quantifying the cost-effectiveness of absorber coatings, as well as finding optimal operating conditions. The absolute LCOC is investigatedmore » for different hypothetic coatings and is demonstrated on Pyromark 2500 paint. Results show that absorber coatings yield lower LCOE values in most cases, even at significant costs. Optimal reapplication intervals range from one to five years. At receiver temperatures greater than 700 °C, non-selective coatings are not always worthwhile while durable selective coatings consistently reduce the LCOE—up to 12% of the value obtained for an uncoated receiver. Moreover the absolute LCOC is a powerful tool to characterize and compare different coatings, not only considering their initial efficiencies but also including their durability.« less

Visual perception as retrospective Bayesian decoding from high- to low-level features

PubMed Central

Ding, Stephanie; Cueva, Christopher J.; Tsodyks, Misha; Qian, Ning

2017-01-01

When a stimulus is presented, its encoding is known to progress from low- to high-level features. How these features are decoded to produce perception is less clear, and most models assume that decoding follows the same low- to high-level hierarchy of encoding. There are also theories arguing for global precedence, reversed hierarchy, or bidirectional processing, but they are descriptive without quantitative comparison with human perception. Moreover, observers often inspect different parts of a scene sequentially to form overall perception, suggesting that perceptual decoding requires working memory, yet few models consider how working-memory properties may affect decoding hierarchy. We probed decoding hierarchy by comparing absolute judgments of single orientations and relative/ordinal judgments between two sequentially presented orientations. We found that lower-level, absolute judgments failed to account for higher-level, relative/ordinal judgments. However, when ordinal judgment was used to retrospectively decode memory representations of absolute orientations, striking aspects of absolute judgments, including the correlation and forward/backward aftereffects between two reported orientations in a trial, were explained. We propose that the brain prioritizes decoding of higher-level features because they are more behaviorally relevant, and more invariant and categorical, and thus easier to specify and maintain in noisy working memory, and that more reliable higher-level decoding constrains less reliable lower-level decoding. PMID:29073108

Effect of helicity on the correlation time of large scales in turbulent flows

NASA Astrophysics Data System (ADS)

Cameron, Alexandre; Alexakis, Alexandros; Brachet, Marc-Étienne

2017-11-01

Solutions of the forced Navier-Stokes equation have been conjectured to thermalize at scales larger than the forcing scale, similar to an absolute equilibrium obtained for the spectrally truncated Euler equation. Using direct numeric simulations of Taylor-Green flows and general-periodic helical flows, we present results on the probability density function, energy spectrum, autocorrelation function, and correlation time that compare the two systems. In the case of highly helical flows, we derive an analytic expression describing the correlation time for the absolute equilibrium of helical flows that is different from the E-1 /2k-1 scaling law of weakly helical flows. This model predicts a new helicity-based scaling law for the correlation time as τ (k ) ˜H-1 /2k-1 /2 . This scaling law is verified in simulations of the truncated Euler equation. In simulations of the Navier-Stokes equations the large-scale modes of forced Taylor-Green symmetric flows (with zero total helicity and large separation of scales) follow the same properties as absolute equilibrium including a τ (k ) ˜E-1 /2k-1 scaling for the correlation time. General-periodic helical flows also show similarities between the two systems; however, the largest scales of the forced flows deviate from the absolute equilibrium solutions.

Where Tori Fear to Tread: Hypermassive Neutron Star Remnants and Absolute Event Horizons or Topics in Computational General Relativity

NASA Astrophysics Data System (ADS)

Kaplan, Jeffrey Daniel

2014-01-01

Computational general relativity is a field of study which has reached maturity only within the last decade. This thesis details several studies that elucidate phenomena related to the coalescence of compact object binaries. Chapters 2 and 3 recounts work towards developing new analytical tools for visualizing and reasoning about dynamics in strongly curved spacetimes. In both studies, the results employ analogies with the classical theory of electricity and magnetism, first (Ch. 2) in the post-Newtonian approximation to general relativity and then (Ch. 3) in full general relativity though in the absence of matter sources. In Chapter 4, we examine the topological structure of absolute event horizons during binary black hole merger simulations conducted with the SpEC code. Chapter 6 reports on the progress of the SpEC code in simulating the coalescence of neutron star-neutron star binaries, while Chapter 7 tests the effects of various numerical gauge conditions on the robustness of black hole formation from stellar collapse in SpEC. In Chapter 5, we examine the nature of pseudospectral expansions of non-smooth functions motivated by the need to simulate the stellar surface in Chapters 6 and 7. In Chapter 8, we study how thermal effects in the nuclear equation of state effect the equilibria and stability of hypermassive neutron stars. Chapter 9 presents supplements to the work in Chapter 8, including an examination of the stability question raised in Chapter 8 in greater mathematical detail.

Atmospheric Longwave Irradiance Uncertainty: Pyrgeometers Compared to an Absolute Sky-Scanning Radiometer, Atmospheric Emitted Radiance Interferometer, and Radiative Transfer Model Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Philipona, J. R.; Dutton, Ellsworth G.; Stoffel, T.

2001-06-04

Because atmospheric longwave radiation is one of the most fundamental elements of an expected climate change, there has been a strong interest in improving measurements and model calculations in recent years. Important questions are how reliable and consistent are atmospheric longwave radiation measurements and calculations and what are the uncertainties? The First International Pyrgeometer and Absolute Sky-scanning Radiometer Comparison, which was held at the Atmospheric Radiation Measurement program's Souther Great Plains site in Oklahoma, answers these questions at least for midlatitude summer conditions and reflects the state of the art for atmospheric longwave radiation measurements and calculations. The 15 participatingmore » pyrgeometers were all calibration-traced standard instruments chosen from a broad international community. Two new chopped pyrgeometers also took part in the comparison. And absolute sky-scanning radiometer (ASR), which includes a pyroelectric detector and a reference blackbody source, was used for the first time as a reference standard instrument to field calibrate pyrgeometers during clear-sky nighttime measurements. Owner-provided and uniformly determined blackbody calibration factors were compared. Remarkable improvements and higher pyrgeometer precision were achieved with field calibration factors. Results of nighttime and daytime pyrgeometer precision and absolute uncertainty are presented for eight consecutive days of measurements, during which period downward longwave irradiance varied between 260 and 420 W m-2. Comparisons between pyrgeometers and the absolute ASR, the atmospheric emitted radiance interferometer, and radiative transfer models LBLRTM and MODTRAN show a surprisingly good agreement of <2 W m-2 for nighttime atmospheric longwave irradiance measurements and calculations.« less

Self-digitization microfluidic chip for absolute quantification of mRNA in single cells.

PubMed

Thompson, Alison M; Gansen, Alexander; Paguirigan, Amy L; Kreutz, Jason E; Radich, Jerald P; Chiu, Daniel T

2014-12-16

Quantification of mRNA in single cells provides direct insight into how intercellular heterogeneity plays a role in disease progression and outcomes. Quantitative polymerase chain reaction (qPCR), the current gold standard for evaluating gene expression, is insufficient for providing absolute measurement of single-cell mRNA transcript abundance. Challenges include difficulties in handling small sample volumes and the high variability in measurements. Microfluidic digital PCR provides far better sensitivity for minute quantities of genetic material, but the typical format of this assay does not allow for counting of the absolute number of mRNA transcripts samples taken from single cells. Furthermore, a large fraction of the sample is often lost during sample handling in microfluidic digital PCR. Here, we report the absolute quantification of single-cell mRNA transcripts by digital, one-step reverse transcription PCR in a simple microfluidic array device called the self-digitization (SD) chip. By performing the reverse transcription step in digitized volumes, we find that the assay exhibits a linear signal across a wide range of total RNA concentrations and agrees well with standard curve qPCR. The SD chip is found to digitize a high percentage (86.7%) of the sample for single-cell experiments. Moreover, quantification of transferrin receptor mRNA in single cells agrees well with single-molecule fluorescence in situ hybridization experiments. The SD platform for absolute quantification of single-cell mRNA can be optimized for other genes and may be useful as an independent control method for the validation of mRNA quantification techniques.

A Social Rank Explanation of How Money Influences Health

PubMed Central

2014-01-01

Objective: Financial resources are a potent determinant of health, yet it remains unclear why this is the case. We aimed to identify whether the frequently observed association between absolute levels of monetary resources and health may occur because money acts an indirect proxy for a person’s social rank. Method: To address this question we examined over 230,000 observations on 40,400 adults drawn from two representative national panel studies; the British Household Panel Survey and the English Longitudinal Study of Ageing. We identified each person’s absolute income/wealth and their objective ranked position of income/wealth within a social reference-group. Absolute and rank income/wealth variables were then used to predict a series of self-reported and objectively recorded health outcomes in cross-sectional and longitudinal analyses. Results: As anticipated, those with higher levels of absolute income/wealth were found to have better health than others, after adjustment for age, gender, education, marital status, and labor force status. When evaluated simultaneously the ranked position of income/wealth but not absolute income/wealth predicted all health outcomes examined including: objective measures of allostatic load and obesity, the presence of long-standing illness, and ratings of health, physical functioning, role limitations, and pain. The health benefits of high rank were consistent in cross-sectional and longitudinal analyses and did not depend on the reference-group used to rank participants. Conclusions: This is the first study to demonstrate that social position rather than material conditions may explain the impact of money on human health. PMID:25133843

Teaching Absolute Value Meaningfully

ERIC Educational Resources Information Center

Wade, Angela

2012-01-01

What is the meaning of absolute value? And why do teachers teach students how to solve absolute value equations? Absolute value is a concept introduced in first-year algebra and then reinforced in later courses. Various authors have suggested instructional methods for teaching absolute value to high school students (Wei 2005; Stallings-Roberts…

[Ten years of early complex geriatric rehabilitation therapy in the DRG system].

PubMed

Kolb, G; Breuninger, K; Gronemeyer, S; van den Heuvel, D; Lübke, N; Lüttje, D; Wittrich, A; Wolff, J

2014-01-01

Geriatric medicine, as a specialized form of treatment for the elderly, is gaining in importance due to demographic changes. Especially important for geriatric medicine is combining acute care with the need to maintain functionality and participation. This includes prevention of dependency on structured care or chronic disability and handicap by means of rehabilitation. Ten years ago, the German DRG system tried to incorporate procedures (e.g., "early rehabilitation in geriatric medicine") in the hospital reimbursement system. OPS 8-550.x, defined by structural quality, days of treatment, and number of therapeutic interventions, triggers 17 different geriatric DRGs, covering most of the fields of medicine. OPS 8-550.x had been revised continuously to give a clear structure to quality aspects of geriatric procedures. However, OPS 8-550.x is based on proven need of in-hospital treatment. In the last 10 years, no such definition has been produced taking aspects of the German hospital system into account as well as aspects of transparency and benefit in everyday work. The German DRG system covers just basic reimbursement aspects of geriatric medicine quite well; however, a practicable and patient-oriented definition of "hospital necessity" is still lacking, but is absolutely essential for proper compensation. A further problem concerning geriatric medicine reimbursement in the DRG system is due to the different structures of providing geriatric in-hospital care throughout Germany.

An immersed boundary method for fluid-structure interaction with compressible multiphase flows

NASA Astrophysics Data System (ADS)

Wang, Li; Currao, Gaetano M. D.; Han, Feng; Neely, Andrew J.; Young, John; Tian, Fang-Bao

2017-10-01

This paper presents a two-dimensional immersed boundary method for fluid-structure interaction with compressible multiphase flows involving large structure deformations. This method involves three important parts: flow solver, structure solver and fluid-structure interaction coupling. In the flow solver, the compressible multiphase Navier-Stokes equations for ideal gases are solved by a finite difference method based on a staggered Cartesian mesh, where a fifth-order accuracy Weighted Essentially Non-Oscillation (WENO) scheme is used to handle spatial discretization of the convective term, a fourth-order central difference scheme is employed to discretize the viscous term, the third-order TVD Runge-Kutta scheme is used to discretize the temporal term, and the level-set method is adopted to capture the multi-material interface. In this work, the structure considered is a geometrically non-linear beam which is solved by using a finite element method based on the absolute nodal coordinate formulation (ANCF). The fluid dynamics and the structure motion are coupled in a partitioned iterative manner with a feedback penalty immersed boundary method where the flow dynamics is defined on a fixed Lagrangian grid and the structure dynamics is described on a global coordinate. We perform several validation cases (including fluid over a cylinder, structure dynamics, flow induced vibration of a flexible plate, deformation of a flexible panel induced by shock waves in a shock tube, an inclined flexible plate in a hypersonic flow, and shock-induced collapse of a cylindrical helium cavity in the air), and compare the results with experimental and other numerical data. The present results agree well with the published data and the current experiment. Finally, we further demonstrate the versatility of the present method by applying it to a flexible plate interacting with multiphase flows.

Superfast high-resolution absolute 3D recovery of a stabilized flapping flight process.

PubMed

Li, Beiwen; Zhang, Song

2017-10-30

Scientific research of a stabilized flapping flight process (e.g. hovering) has been of great interest to a variety of fields including biology, aerodynamics, and bio-inspired robotics. Different from the current passive photogrammetry based methods, the digital fringe projection (DFP) technique has the capability of performing dense superfast (e.g. kHz) 3D topological reconstructions with the projection of defocused binary patterns, yet it is still a challenge to measure a flapping flight process with the presence of rapid flapping wings. This paper presents a novel absolute 3D reconstruction method for a stabilized flapping flight process. Essentially, the slow motion parts (e.g. body) and the fast-motion parts (e.g. wings) are segmented and separately reconstructed with phase shifting techniques and the Fourier transform, respectively. The topological relations between the wings and the body are utilized to ensure absolute 3D reconstruction. Experiments demonstrate the success of our computational framework by testing a flapping wing robot at different flapping speeds.

Optimization of KOH etching parameters for quantitative defect recognition in n- and p-type doped SiC

NASA Astrophysics Data System (ADS)

Sakwe, S. A.; Müller, R.; Wellmann, P. J.

2006-04-01

We have developed a KOH-based defect etching procedure for silicon carbide (SiC), which comprises in situ temperature measurement and control of melt composition. As benefit for the first time reproducible etching conditions were established (calibration plot, etching rate versus temperature and time); the etching procedure is time independent, i.e. no altering in KOH melt composition takes place, and absolute melt temperature values can be set. The paper describes this advanced KOH etching furnace, including the development of a new temperature sensor resistant to molten KOH. We present updated, absolute KOH etching parameters of n-type SiC and new absolute KOH etching parameters for low and highly p-type doped SiC, which are used for quantitative defect analysis. As best defect etching recipes we found T=530 °C/5 min (activation energy: 16.4 kcal/mol) and T=500 °C/5 min (activation energy: 13.5 kcal/mol) for n-type and p-type SiC, respectively.

Expeditious organic–free assembly: morphologically controlled synthesis of iron oxides using microwaves

EPA Science Inventory

A microwave hydrothermal method is developed for the synthesis of iron oxides, α-Fe₂O₃, β-FeOOH, and the junction of α-Fe₂O₃–β-FeOOH. This method is absolutely organic-free, and various structures could be obtained simply by changing th...

Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.

PubMed

Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U; Lin, Wenhan; Liu, Zhen; Proksch, Peter

2016-09-23

Seven new 14-membered macrolides, pestalotioprolides C (2), D-H (4-8), and 7-O-methylnigrosporolide (3), together with four known analogues, pestalotioprolide B (1), seiricuprolide (9), nigrosporolide (10), and 4,7-dihydroxy-13-tetradeca-2,5,8-trienolide (11), were isolated from the mangrove-derived endophytic fungus Pestalotiopsis microspora. Their structures were elucidated by analysis of NMR and MS data and by comparison with literature data. Single-crystal X-ray diffraction analysis was used to confirm the absolute configurations of 1, 2, and 10, while Mosher's method and the TDDFT-ECD approach were applied to determine the absolute configurations of 5 and 6. Compounds 3-6 showed significant cytotoxicity against the murine lymphoma cell line L5178Y with IC50 values of 0.7, 5.6, 3.4, and 3.9 μM, respectively, while compound 5 showed potent activity against the human ovarian cancer cell line A2780 with an IC50 value of 1.2 μM. Structure-activity relationships are discussed. Coculture of P. microspora with Streptomyces lividans caused a roughly 10-fold enhanced accumulation of compounds 5 and 6 compared to axenic fungal control.

Determination of Residual Stress Distributions in Polycrystalline Alumina using Fluorescence Microscopy

PubMed Central

Michaels, Chris A.; Cook, Robert F.

2016-01-01

Maps of residual stress distributions arising from anisotropic thermal expansion effects in a polycrystalline alumina are generated using fluorescence microscopy. The shifts of both the R1 and R2 ruby fluorescence lines of Cr in alumina are used to create maps with sub-µm resolution of either the local mean and shear stresses or local crystallographic a- and c-stresses in the material, with approximately ± 1 MPa stress resolution. The use of single crystal control materials and explicit correction for temperature and composition effects on line shifts enabled determination of the absolute values and distributions of values of stresses. Temperature correction is shown to be critical in absolute stress determination. Experimental determinations of average stress parameters in the mapped structure are consistent with assumed equilibrium conditions and with integrated large-area measurements. Average crystallographic stresses of order hundreds of MPa are determined with characteristic distribution widths of tens of MPa. The stress distributions reflect contributions from individual clusters of stress in the structure; the cluster size is somewhat larger than the grain size. An example application of the use of stress maps is shown in the calculation of stress-intensity factors for fracture in the residual stress field. PMID:27563163

Quantum entanglement and informational activities of biomolecules

NASA Astrophysics Data System (ADS)

Al-Shargi, Hanan; Berkovich, Simon

2009-03-01

Our model of holographic Universe [1] explains the surprising property of quantum entanglement and reveals its biological implications. The suggested holographic mechanism handles 2D slices of the physical world as a whole. Fitting this simple holistic process in the Procrustean bed of individual particles interactions leads to intricacies of quantum theory with an unintelligible protrusion of distant correlations. Holographic medium imposes dependence of quantum effects on absolute positioning. Testing this prediction for a non-exponential radioactive decay could resolutely point to outside ``memory.'' The essence of Life is in the sophistication of macromolecules. Distinctions in biological information processing of nucleotides in DNA and amino acids in proteins are related to entropies of their structures. Randomness of genetic configurations as exposed by their maximal entropy is characteristic of passive identification rather than active storage functionality. Structural redundancy of proteins shows their operability, of which different foldings of prions is most indicative. Folding of one prion can reshape another prion without a direct contact appearing like ``quantum entanglement,'' or ``teleportation.'' Testing the surmised influence of absolute orientation on the prion reshaping can uncover the latency effects in the ``mad cow'' disease. 1. Simon Berkovich, TR-GWU-CS-07-006, http://www.cs.gwu.edu/research/reports.php

Income inequality and sexually transmitted in the United States: who bears the burden?

PubMed

Harling, Guy; Subramanian, S V; Bärnighausen, Till; Kawachi, Ichiro

2014-02-01

Three causal processes have been proposed to explain associations between group income inequality and individual health outcomes, each of which implies health effects for different segments of the population. We present a novel conceptual and analytic framework for the quantitative evaluation of these pathways, assessing the contribution of: (i) absolute deprivation - affecting the poor in all settings - using family income; (ii) structural inequality - affecting all those in unequal settings - using the Gini coefficient; and (iii) relative deprivation - affecting only the poor in unequal settings - using the Yitzhaki index. We conceptualize relative deprivation as the interaction of absolute deprivation and structural inequality. We test our approach using hierarchical models of 11,183 individuals in the National Longitudinal Study of Adolescent Health (Add Health). We examine the relationship between school-level inequality and sexually transmitted infections (STI) - self-reported or laboratory-confirmed Chlamydia, Gonorrhoea or Trichomoniasis. Results suggest that increased poverty and inequality were both independently associated with STI diagnosis, and that being poor in an unequal community imposed an additional risk. However, the effects of inequality and relative deprivation were confounded by individuals' race/ethnicity. Copyright © 2013 Elsevier Ltd. All rights reserved.

Proper Motions and Structural Parameters of the Galactic Globular Cluster M71

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cadelano, M.; Dalessandro, E.; Ferraro, F. R.

2017-02-20

By exploiting two ACS/ HST data sets separated by a temporal baseline of ∼7 years, we have determined the relative stellar proper motions (PMs; providing membership) and the absolute PM of the Galactic globular cluster M71. The absolute PM has been used to reconstruct the cluster orbit within a Galactic, three-component, axisymmetric potential. M71 turns out to be in a low-latitude disk-like orbit inside the Galactic disk, further supporting the scenario in which it lost a significant fraction of its initial mass. Since large differential reddening is known to affect this system, we took advantage of near-infrared, ground-based observations tomore » re-determine the cluster center and density profile from direct star counts. The new structural parameters turn out to be significantly different from the ones quoted in the literature. In particular, M71 has a core and a half-mass radii almost 50% larger than previously thought. Finally, we estimate that the initial mass of M71 was likely one order of magnitude larger than its current value, thus helping to solve the discrepancy with the observed number of X-ray sources.« less

75 FR 15401 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-29

... converted existing absolute quotas to TRQs. Imports of nearly all cheese made from cow's milk (except soft-ripened cheese such as Brie) and certain non-cheese dairy products (including butter and dried milk) are...

Absolute Gravity Datum in the Age of Cold Atom Gravimeters

NASA Astrophysics Data System (ADS)

Childers, V. A.; Eckl, M. C.

2014-12-01

The international gravity datum is defined today by the International Gravity Standardization Net of 1971 (IGSN-71). The data supporting this network was measured in the 1950s and 60s using pendulum and spring-based gravimeter ties (plus some new ballistic absolute meters) to replace the prior protocol of referencing all gravity values to the earlier Potsdam value. Since this time, gravimeter technology has advanced significantly with the development and refinement of the FG-5 (the current standard of the industry) and again with the soon-to-be-available cold atom interferometric absolute gravimeters. This latest development is anticipated to provide improvement in the range of two orders of magnitude as compared to the measurement accuracy of technology utilized to develop ISGN-71. In this presentation, we will explore how the IGSN-71 might best be "modernized" given today's requirements and available instruments and resources. The National Geodetic Survey (NGS), along with other relevant US Government agencies, is concerned about establishing gravity control to establish and maintain high order geodetic networks as part of the nation's essential infrastructure. The need to modernize the nation's geodetic infrastructure was highlighted in "Precise Geodetic Infrastructure, National Requirements for a Shared Resource" National Academy of Science, 2010. The NGS mission, as dictated by Congress, is to establish and maintain the National Spatial Reference System, which includes gravity measurements. Absolute gravimeters measure the total gravity field directly and do not involve ties to other measurements. Periodic "intercomparisons" of multiple absolute gravimeters at reference gravity sites are used to constrain the behavior of the instruments to ensure that each would yield reasonably similar measurements of the same location (i.e. yield a sufficiently consistent datum when measured in disparate locales). New atomic interferometric gravimeters promise a significant increase in accuracy. Our presentation will also explore the impact of such an instrument on our theory of how to constrain the gravity datum and on how to ensure stability, repeatability, and reproducibility across different absolute gravimeter systems.

Electroencephalographic characterization of subgroups of children with learning disorders

PubMed Central

Roca-Stappung, Milene; Bosch-Bayard, Jorge; Harmony, Thalía; Ricardo-Garcell, Josefina

2017-01-01

Electroencephalographic alterations have been reported in subjects with learning disorders, but there is no consensus on what characterizes their electroencephalogram findings. Our objective was to determine if there were subgroups within a group of scholars with not otherwise specified learning disorders and if they had specific electroencephalographic patterns. Eighty-five subjects (31 female, 8–11 years) who scored low in at least two subscales -reading, writing and arithmetic- of the Infant Neuropsychological Evaluation were included. Electroencephalograms were recorded in 19 leads during rest with eyes closed; absolute power was obtained every 0.39 Hz. Three subgroups were formed according to children’s performance: Group 1 (G1, higher scores than Group 2 in reading speed and reading and writing accuracy), Group 2 (G2, better performance than G1 in composition) and Group 3 (G3, lower scores than Groups 1 and 2 in the three subscales). G3 had higher absolute power in frequencies in the delta and theta range at left frontotemporal sites than G1 and G2. G2 had higher absolute power within alpha frequencies than G3 and G1 at the left occipital site. G3 had higher absolute power in frequencies in the beta range than G1 in parietotemporal areas and than G2 in left frontopolar and temporal sites. G1 had higher absolute power within beta frequencies than G2 in the left frontopolar site. G3 had lower gamma absolute power values than the other groups in the left hemisphere, and gamma activity was higher in G1 than in G2 in frontopolar and temporal areas. This group of children with learning disorders is very heterogeneous. Three subgroups were found with different cognitive profiles, as well as a different electroencephalographic pattern. It is important to consider these differences when planning interventions for children with learning disorders. PMID:28708890