An integrated profile of natural fractures in gas-bearing shale complex (Pomerania, Poland): based on structural profiling of oriented core and borehole logging data.

NASA Astrophysics Data System (ADS)

Bobek, Kinga; Jarosiński, Marek; Stadtmuller, Marek; Pachytel, Radomir; Lis-Śledziona, Anita

2016-04-01

Natural fractures in gas-bearing shales has significant impact on reservoir stimulation and increase of exploitation. Density of natural fractures and their orientation in respect to the maximum horizontal stress are crucial for propagation of technological hydraulic fractures. Having access to continuous borehole core profile and modern geophysical logging from several wells in the Pomeranian part of the Early Paleozoic Baltic Basin (Poland) we were able to compare the consistency of structural interpretation of several data sets. Although, final aim of our research is to optimize the method of fracture network reconstruction on a reservoir scale, at a recent stage we were focused on quantitative characterization of tectonic structures in a direct vicinity of boreholes. The data we have, cover several hundred meters long profiles of boreholes from the Ordovician and Silurian shale complexes. Combining different sets of data we broaden the scale of observation from borehole core (5 cm radius), through XRMI scan of a borehole wall (10 cm radius), up to penetration of a signal of an acoustic dipole logging (several tens of cm range). At the borehole core we examined the natural tectonic structures and mechanically significant features, like: mineral veins, fractured veins, bare fractures, slickensides, fault zones, stylolites, bedding plane and mechanically contrasting layers. We have also noticed drilling-induced features like centerline fractures and core disking, controlled by a recent tectonic stress. We have measured the orientation of fractures, their size, aperture and spacing and also describe the character of veins and tried to determine the stress regime responsible for fault slippage and fracture propagation. Wide range of analyzed features allowed us to discriminate fracture sets and reconstruct tectonic evolution of the complex. The most typical for analyzed shale complexes are steep and vertical strata-bound fractures that create an orthogonal joint

EEMD-MUSIC-Based Analysis for Natural Frequencies Identification of Structures Using Artificial and Natural Excitations

PubMed Central

Amezquita-Sanchez, Juan P.; Romero-Troncoso, Rene J.; Osornio-Rios, Roque A.; Garcia-Perez, Arturo

2014-01-01

This paper presents a new EEMD-MUSIC- (ensemble empirical mode decomposition-multiple signal classification-) based methodology to identify modal frequencies in structures ranging from free and ambient vibration signals produced by artificial and natural excitations and also considering several factors as nonstationary effects, close modal frequencies, and noisy environments, which are common situations where several techniques reported in literature fail. The EEMD and MUSIC methods are used to decompose the vibration signal into a set of IMFs (intrinsic mode functions) and to identify the natural frequencies of a structure, respectively. The effectiveness of the proposed methodology has been validated and tested with synthetic signals and under real operating conditions. The experiments are focused on extracting the natural frequencies of a truss-type scaled structure and of a bridge used for both highway traffic and pedestrians. Results show the proposed methodology as a suitable solution for natural frequencies identification of structures from free and ambient vibration signals. PMID:24683346

EEMD-MUSIC-based analysis for natural frequencies identification of structures using artificial and natural excitations.

PubMed

Camarena-Martinez, David; Amezquita-Sanchez, Juan P; Valtierra-Rodriguez, Martin; Romero-Troncoso, Rene J; Osornio-Rios, Roque A; Garcia-Perez, Arturo

2014-01-01

This paper presents a new EEMD-MUSIC- (ensemble empirical mode decomposition-multiple signal classification-) based methodology to identify modal frequencies in structures ranging from free and ambient vibration signals produced by artificial and natural excitations and also considering several factors as nonstationary effects, close modal frequencies, and noisy environments, which are common situations where several techniques reported in literature fail. The EEMD and MUSIC methods are used to decompose the vibration signal into a set of IMFs (intrinsic mode functions) and to identify the natural frequencies of a structure, respectively. The effectiveness of the proposed methodology has been validated and tested with synthetic signals and under real operating conditions. The experiments are focused on extracting the natural frequencies of a truss-type scaled structure and of a bridge used for both highway traffic and pedestrians. Results show the proposed methodology as a suitable solution for natural frequencies identification of structures from free and ambient vibration signals.

Structure modification of natural zeolite for waste removal application

NASA Astrophysics Data System (ADS)

Widayatno, W. B.

2018-03-01

Tremendous industrialization in the last century has led to the generation of huge amount of waste. One of the recent hot research topics is utilizing any advance materials and methods for waste removal. Natural zeolite as an inexpensive porous material with a high abundance holds a key for efficient waste removal owing to its high surface area. However, the microporous structure of natural zeolite hinders the adsorption of waste with a bigger molecular size. In addition, the recovery of natural zeolite after waste adsorption into its pores should also be considered for continuous utilization of this material. In this study, the porosity of natural zeolite from Tasikmalaya, Indonesia, was hydrothermally-modified in a Teflon-lined autoclave filled with certain pore directing agent such as distilled water, KOH, and NH4OH to obtain hierarchical pore structure. After proper drying process, the as-treated natural zeolite is impregnated with iron cation and heat-treated at specified temperature to get Fe-embedded zeolite structure. XRD observation is carried out to ensure the formation of magnetic phase within the zeolite pores. The analysis results show the formation of maghemite phase (γ-Fe2O3) within the zeolite pore structure.

Self-assembled structural color in nature

NASA Astrophysics Data System (ADS)

Parnell, Andrew

The vibrancy and variety of structural color found in nature has long been well-known; what has only recently been discovered is the sophistication of the physics that underlies these effects. In the talk I will discuss some of our recent studies of the structures responsible for color in bird feathers and beetle elytra, based on structural characterization using small angle x-ray scattering, x-ray tomography and optical modeling. These have enabled us to study a large number of structural color exhibiting materials and look for trends in the structures nature uses to provide these optical effects. In terms of creating the optical structure responsible for the color of the Eurasian Jay feathers (Garrulus glandarius) the nanostructure is produced by a phase-separation process that is arrested at a late stage; mastery of the color is achieved by control over the duration of this phase-separation process. Our analysis shows that nanostructure in single bird feather barbs can be varied continuously by controlling the time the keratin network is allowed to phase separate before mobility in the system is arrested. Dynamic scaling analysis of the single barb scattering data implies that the phase separation arrest mechanism is rapid and also distinct from the spinodal phase separation mechanism i.e. it is not gelation or intermolecular re-association. Any growing lengthscale using this spinodal phase separation approach must first traverse the UV and blue wavelength regions, growing the structure by coarsening, resulting in a broad distribution of domain sizes. AJP acknowledges financial support via the APS/DPOLY exchange lectureship 2017.

Structure Elucidation of a Natural Product.

ERIC Educational Resources Information Center

Letcher, Roy M.

1983-01-01

Describes an experiment simulating a real-life structure elucidation problem through isolation, characterization, and chemical transformation of an "unknown," naturally occurring monoterpene, with extensive use being made of spectroscopy and aided by biogenetic considerations. Information given to students, procedures, results, and discussion of…

Structural equation modeling and natural systems

USGS Publications Warehouse

Grace, James B.

2006-01-01

This book, first published in 2006, presents an introduction to the methodology of structural equation modeling, illustrates its use, and goes on to argue that it has revolutionary implications for the study of natural systems. A major theme of this book is that we have, up to this point, attempted to study systems primarily using methods (such as the univariate model) that were designed only for considering individual processes. Understanding systems requires the capacity to examine simultaneous influences and responses. Structural equation modeling (SEM) has such capabilities. It also possesses many other traits that add strength to its utility as a means of making scientific progress. In light of the capabilities of SEM, it can be argued that much of ecological theory is currently locked in an immature state that impairs its relevance. It is further argued that the principles of SEM are capable of leading to the development and evaluation of multivariate theories of the sort vitally needed for the conservation of natural systems.

Time-variant random interval natural frequency analysis of structures

NASA Astrophysics Data System (ADS)

Wu, Binhua; Wu, Di; Gao, Wei; Song, Chongmin

2018-02-01

This paper presents a new robust method namely, unified interval Chebyshev-based random perturbation method, to tackle hybrid random interval structural natural frequency problem. In the proposed approach, random perturbation method is implemented to furnish the statistical features (i.e., mean and standard deviation) and Chebyshev surrogate model strategy is incorporated to formulate the statistical information of natural frequency with regards to the interval inputs. The comprehensive analysis framework combines the superiority of both methods in a way that computational cost is dramatically reduced. This presented method is thus capable of investigating the day-to-day based time-variant natural frequency of structures accurately and efficiently under concrete intrinsic creep effect with probabilistic and interval uncertain variables. The extreme bounds of the mean and standard deviation of natural frequency are captured through the embedded optimization strategy within the analysis procedure. Three particularly motivated numerical examples with progressive relationship in perspective of both structure type and uncertainty variables are demonstrated to justify the computational applicability, accuracy and efficiency of the proposed method.

Processing bulk natural wood into a high-performance structural material.

PubMed

Song, Jianwei; Chen, Chaoji; Zhu, Shuze; Zhu, Mingwei; Dai, Jiaqi; Ray, Upamanyu; Li, Yiju; Kuang, Yudi; Li, Yongfeng; Quispe, Nelson; Yao, Yonggang; Gong, Amy; Leiste, Ulrich H; Bruck, Hugh A; Zhu, J Y; Vellore, Azhar; Li, Heng; Minus, Marilyn L; Jia, Zheng; Martini, Ashlie; Li, Teng; Hu, Liangbing

2018-02-07

Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites). Natural wood is a low-cost and abundant material and has been used for millennia as a structural material for building and furniture construction. However, the mechanical performance of natural wood (its strength and toughness) is unsatisfactory for many advanced engineering structures and applications. Pre-treatment with steam, heat, ammonia or cold rolling followed by densification has led to the enhanced mechanical performance of natural wood. However, the existing methods result in incomplete densification and lack dimensional stability, particularly in response to humid environments, and wood treated in these ways can expand and weaken. Here we report a simple and effective strategy to transform bulk natural wood directly into a high-performance structural material with a more than tenfold increase in strength, toughness and ballistic resistance and with greater dimensional stability. Our two-step process involves the partial removal of lignin and hemicellulose from the natural wood via a boiling process in an aqueous mixture of NaOH and Na 2 SO 3 followed by hot-pressing, leading to the total collapse of cell walls and the complete densification of the natural wood with highly aligned cellulose nanofibres. This strategy is shown to be universally effective for various species of wood. Our processed wood has a specific strength higher than that of most structural metals and alloys, making it a low-cost, high-performance, lightweight alternative.

Processing bulk natural wood into a high-performance structural material

NASA Astrophysics Data System (ADS)

Song, Jianwei; Chen, Chaoji; Zhu, Shuze; Zhu, Mingwei; Dai, Jiaqi; Ray, Upamanyu; Li, Yiju; Kuang, Yudi; Li, Yongfeng; Quispe, Nelson; Yao, Yonggang; Gong, Amy; Leiste, Ulrich H.; Bruck, Hugh A.; Zhu, J. Y.; Vellore, Azhar; Li, Heng; Minus, Marilyn L.; Jia, Zheng; Martini, Ashlie; Li, Teng; Hu, Liangbing

2018-02-01

Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites). Natural wood is a low-cost and abundant material and has been used for millennia as a structural material for building and furniture construction. However, the mechanical performance of natural wood (its strength and toughness) is unsatisfactory for many advanced engineering structures and applications. Pre-treatment with steam, heat, ammonia or cold rolling followed by densification has led to the enhanced mechanical performance of natural wood. However, the existing methods result in incomplete densification and lack dimensional stability, particularly in response to humid environments, and wood treated in these ways can expand and weaken. Here we report a simple and effective strategy to transform bulk natural wood directly into a high-performance structural material with a more than tenfold increase in strength, toughness and ballistic resistance and with greater dimensional stability. Our two-step process involves the partial removal of lignin and hemicellulose from the natural wood via a boiling process in an aqueous mixture of NaOH and Na2SO3 followed by hot-pressing, leading to the total collapse of cell walls and the complete densification of the natural wood with highly aligned cellulose nanofibres. This strategy is shown to be universally effective for various species of wood. Our processed wood has a specific strength higher than that of most structural metals and alloys, making it a low-cost, high-performance, lightweight alternative.

Resolving structural uncertainty in natural resources management using POMDP approaches

USGS Publications Warehouse

Williams, B.K.

2011-01-01

In recent years there has been a growing focus on the uncertainties of natural resources management, and the importance of accounting for uncertainty in assessing management effectiveness. This paper focuses on uncertainty in resource management in terms of discrete-state Markov decision processes (MDP) under structural uncertainty and partial observability. It describes the treatment of structural uncertainty with approaches developed for partially observable resource systems. In particular, I show how value iteration for partially observable MDPs (POMDP) can be extended to structurally uncertain MDPs. A key difference between these process classes is that structurally uncertain MDPs require the tracking of system state as well as a probability structure for the structure uncertainty, whereas with POMDPs require only a probability structure for the observation uncertainty. The added complexity of the optimization problem under structural uncertainty is compensated by reduced dimensionality in the search for optimal strategy. A solution algorithm for structurally uncertain processes is outlined for a simple example in conservation biology. By building on the conceptual framework developed for POMDPs, natural resource analysts and decision makers who confront structural uncertainties in natural resources can take advantage of the rapid growth in POMDP methods and approaches, and thereby produce better conservation strategies over a larger class of resource problems. ?? 2011.

Survey of marine natural product structure revisions: a synergy of spectroscopy and chemical synthesis

PubMed Central

Suyama, Takashi L.; Gerwick, William H.; McPhail, Kerry L.

2011-01-01

The structural assignment of new natural product molecules supports research in a multitude of disciplines that may lead to new therapeutic agents and or new understanding of disease biology. However, reports of numerous structural revisions, even of recently elucidated natural products, inspired the present survey of techniques used in structural misassignments and subsequent revisions in the context of constitutional or configurational errors. Given the comparatively recent development of marine natural products chemistry, coincident with the modern spectroscopy, it is of interest to consider the relative roles of spectroscopy and chemical synthesis in the structure elucidation and revision of those marine natural products which were initially misassigned. Thus, a tabulated review of all marine natural product structural revisions from 2005 to 2010 is organized according to structural motif revised. Misassignments of constitution are more frequent than perhaps anticipated by reliance on HMBC and other advanced NMR experiments, especially considering the full complement of all natural products. However, these techniques also feature prominently in structural revisions, specifically of marine natural products. Nevertheless, as is the case for revision of relative and absolute configuration, total synthesis is a proven partner for marine, as well as terrestrial, natural products structure elucidation. It also becomes apparent that considerable ‘detective work’ remains in structure elucidation, in spite of the spectacular advances in spectroscopic techniques. PMID:21715178

Structural analysis of natural textures.

PubMed

Vilnrotter, F M; Nevatia, R; Price, K E

1986-01-01

Many textures can be described structurally, in terms of the individual textural elements and their spatial relationships. This paper describes a system to generate useful descriptions of natural textures in these terms. The basic approach is to determine an initial, partial description of the elements using edge features. This description controls the extraction of the texture elements. The elements are grouped by type, and spatial relationships between elements are computed. The descriptions are shown to be useful for recognition of the textures, and for reconstruction of periodic textures.

Nature-replicated nano-in-micro structures for triboelectric energy harvesting.

PubMed

Seol, Myeong-Lok; Woo, Jong-Ho; Lee, Dong-Il; Im, Hwon; Hur, Jae; Choi, Yang-Kyu

2014-10-15

Triboelectric nanogenerators with nature-replicated interface structures are presented. Effective contact areas of the triboelectric surfaces are largely enhanced because of the densely packed nano-in-micro hierarchical structures in nature. The enlarged contact area causes stronger triboelectric charge density, which results in output power increment. The interface engineering also allows the improved humidity resistance, which is an important parameter for the stable energy harvesting. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Elemental and Microscopic Analysis of Naturally Occurring C-O-Si Hetero-Fullerene-Like Structures.

PubMed

Hullavarad, Nilima V; Hullavarad, Shiva S; Fochesatto, Javier

2015-03-01

Carbon exhibits an ability to form a wide range of structures in nature. Under favorable conditions, carbon condenses to form hollow, spheroid fullerenes in an inert atmosphere. Using high resolution FESEM, we have concealed the existence of giant hetero-fullerene like structures in the natural form. Clear, distinct features of connected hexagons and pentagons were observed. Energy dispersive X-ray analysis depth-profile of natural fullerene structures indicates that Russian-doll-like configurations composed of C, 0, and Si rings exist in nature. The analysis is based on an outstanding molecular feature found in the size fraction of aerosols having diameters 150 nm to 1.0 µm. The fullerene like structures, which are ~ 150 nm in diameter, are observed in large numbers. To the best of our knowledge, this is the first direct detailed observation of natural fullerene-like structures. This article reports inadvertent observation of naturally occurring hetero-fullerene-like structures in the Arctic.

ALL NATURAL COMPOSITE SANDWICH BEAMS FOR STRUCTURAL APPLICATIONS. (R829576)

EPA Science Inventory

As part of developing an all natural composite roof for housing application,
structural panels and unit beams were manufactured out of soybean oil based resin
and natural fibers (flax, cellulose, pulp, recycled paper, chicken feathers)
using vacuum assisted resin tran...

PRISM 3: expanded prediction of natural product chemical structures from microbial genomes

PubMed Central

Skinnider, Michael A.; Merwin, Nishanth J.; Johnston, Chad W.

2017-01-01

Abstract Microbial natural products represent a rich resource of pharmaceutically and industrially important compounds. Genome sequencing has revealed that the majority of natural products remain undiscovered, and computational methods to connect biosynthetic gene clusters to their corresponding natural products therefore have the potential to revitalize natural product discovery. Previously, we described PRediction Informatics for Secondary Metabolomes (PRISM), a combinatorial approach to chemical structure prediction for genetically encoded nonribosomal peptides and type I and II polyketides. Here, we present a ground-up rewrite of the PRISM structure prediction algorithm to derive prediction of natural products arising from non-modular biosynthetic paradigms. Within this new version, PRISM 3, natural product scaffolds are modeled as chemical graphs, permitting structure prediction for aminocoumarins, antimetabolites, bisindoles and phosphonate natural products, and building upon the addition of ribosomally synthesized and post-translationally modified peptides. Further, with the addition of cluster detection for 11 new cluster types, PRISM 3 expands to detect 22 distinct natural product cluster types. Other major modifications to PRISM include improved sequence input and ORF detection, user-friendliness and output. Distribution of PRISM 3 over a 300-core server grid improves the speed and capacity of the web application. PRISM 3 is available at http://magarveylab.ca/prism/. PMID:28460067

Data Structures in Natural Computing: Databases as Weak or Strong Anticipatory Systems

NASA Astrophysics Data System (ADS)

Rossiter, B. N.; Heather, M. A.

2004-08-01

Information systems anticipate the real world. Classical databases store, organise and search collections of data of that real world but only as weak anticipatory information systems. This is because of the reductionism and normalisation needed to map the structuralism of natural data on to idealised machines with von Neumann architectures consisting of fixed instructions. Category theory developed as a formalism to explore the theoretical concept of naturality shows that methods like sketches arising from graph theory as only non-natural models of naturality cannot capture real-world structures for strong anticipatory information systems. Databases need a schema of the natural world. Natural computing databases need the schema itself to be also natural. Natural computing methods including neural computers, evolutionary automata, molecular and nanocomputing and quantum computation have the potential to be strong. At present they are mainly at the stage of weak anticipatory systems.

Toughening mystery of natural rubber deciphered by double network incorporating hierarchical structures

PubMed Central

Zhou, Weiming; Li, Xiangyang; Lu, Jie; Huang, Ningdong; Chen, Liang; Qi, Zeming; Li, Liangbin; Liang, Haiyi

2014-01-01

As an indispensible material for modern society, natural rubber possesses peerless mechanical properties such as strength and toughness over its artificial analogues, which remains a mystery. Intensive experimental and theoretical investigations have revealed the self-enhancement of natural rubber due to strain-induced crystallization. However a rigorous model on the self-enhancement, elucidating natural rubber's extraordinary mechanical properties, is obscured by deficient understanding of the local hierarchical structure under strain. With spatially resolved synchrotron radiation micro-beam scanning X-ray diffraction we discover weak oscillation in distributions of strain-induced crystallinity around crack tip for stretched natural rubber film, demonstrating a soft-hard double network structure. The fracture energy enhancement factor obtained by utilizing the double network model indicates an enhancement of toughness by 3 orders. It's proposed that upon stretching spontaneously developed double network structures integrating hierarchy at multi length-scale in natural rubber play an essential role in its remarkable mechanical performance. PMID:25511479

Structural-functional diversity of the natural oligopeptides.

PubMed

Zamyatnin, Alexander A

2018-03-01

Natural oligopeptides may regulate nearly all vital processes. To date, the chemical structures of many oligopeptides have been identified from >2000 organisms representing all the biological kingdoms. We have considered a number of mathematical (sequence length), chemical, physical, and biological features of an array of natural oligopeptides on the basis of the oligopeptide EROP-Moscow database (http://erop.inbi.ras.ru, 15,351 entries) data. There is the substantial difference of these substances from polypeptide molecules of proteins according to their physicochemical characteristics. These characteristics may be critical for understanding the molecular mechanisms of the action of oligopeptides that lead to the development of physiological effects. Copyright © 2017 Elsevier Ltd. All rights reserved.

Elastic stability of cylindrical shells with soft elastic cores: Biomimicking natural tubular structures

NASA Astrophysics Data System (ADS)

Karam, Gebran Nizar

1994-01-01

Thin walled cylindrical shell structures are widespread in nature: examples include plant stems, porcupine quills, and hedgehog spines. All have an outer shell of almost fully dense material supported by a low density, cellular core. In nature, all are loaded in combination of axial compression and bending: failure is typically by buckling. Natural structures are often optimized. Here we have analyzed the elastic buckling of a thin cylindrical shell supported by an elastic core to show that this structural configuration achieves significant weight saving over a hollow cylinder. The results of the analysis are compared with data from an extensive experimental program on uniaxial compression and four point bending tests on silicone rubber shells with and without compliant foam cores. The analysis describes the results of the mechanical tests well. Characterization of the microstructures of several natural tubular structures with foamlike cores (plant stems, quills, and spines) revealed them to be close to the optimal configurations predicted by the analytical model. Biomimicking of natural cylindrical shell structures and evolutionary design processes may offer the potential to increase the mechanical efficiency of engineering cylindrical shells.

PRISM 3: expanded prediction of natural product chemical structures from microbial genomes.

PubMed

Skinnider, Michael A; Merwin, Nishanth J; Johnston, Chad W; Magarvey, Nathan A

2017-07-03

Microbial natural products represent a rich resource of pharmaceutically and industrially important compounds. Genome sequencing has revealed that the majority of natural products remain undiscovered, and computational methods to connect biosynthetic gene clusters to their corresponding natural products therefore have the potential to revitalize natural product discovery. Previously, we described PRediction Informatics for Secondary Metabolomes (PRISM), a combinatorial approach to chemical structure prediction for genetically encoded nonribosomal peptides and type I and II polyketides. Here, we present a ground-up rewrite of the PRISM structure prediction algorithm to derive prediction of natural products arising from non-modular biosynthetic paradigms. Within this new version, PRISM 3, natural product scaffolds are modeled as chemical graphs, permitting structure prediction for aminocoumarins, antimetabolites, bisindoles and phosphonate natural products, and building upon the addition of ribosomally synthesized and post-translationally modified peptides. Further, with the addition of cluster detection for 11 new cluster types, PRISM 3 expands to detect 22 distinct natural product cluster types. Other major modifications to PRISM include improved sequence input and ORF detection, user-friendliness and output. Distribution of PRISM 3 over a 300-core server grid improves the speed and capacity of the web application. PRISM 3 is available at http://magarveylab.ca/prism/. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Syntactic structure building in the anterior temporal lobe during natural story listening.

PubMed

Brennan, Jonathan; Nir, Yuval; Hasson, Uri; Malach, Rafael; Heeger, David J; Pylkkänen, Liina

2012-02-01

The neural basis of syntax is a matter of substantial debate. In particular, the inferior frontal gyrus (IFG), or Broca's area, has been prominently linked to syntactic processing, but the anterior temporal lobe has been reported to be activated instead of IFG when manipulating the presence of syntactic structure. These findings are difficult to reconcile because they rely on different laboratory tasks which tap into distinct computations, and may only indirectly relate to natural sentence processing. Here we assessed neural correlates of syntactic structure building in natural language comprehension, free from artificial task demands. Subjects passively listened to Alice in Wonderland during functional magnetic resonance imaging and we correlated brain activity with a word-by-word measure of the amount syntactic structure analyzed. Syntactic structure building correlated with activity in the left anterior temporal lobe, but there was no evidence for a correlation between syntactic structure building and activity in inferior frontal areas. Our results suggest that the anterior temporal lobe computes syntactic structure under natural conditions. Copyright © 2010 Elsevier Inc. All rights reserved.

Effect of crack on natural frequency for beam type of structures

NASA Astrophysics Data System (ADS)

Sawant, Saurabh U.; Chauhan, Santosh J.; Deshmukh, Nilaj N.

2017-07-01

Detection of damage in early stages reduces chances of sudden failure of that structure which is important from safety and economic point of view. Crack or damage affects dynamic behavior of structure. In last few decades many researchers have been developing different approaches to detect the damage based on its dynamic behavior. This paper focuses on effect on natural frequency of cantilever beam due to the presence of crack at different locations and with different depths. Cantilever beam is selected for analysis because these beams are most common structures used in many industrial applications. In the present study, modeling of healthy and damaged cantilever beam is done using ANSYSsoftware. Crack at 38 different locations with 1 mm, 2 mm and 3 mm crack depth were created for each of these locations. The effect of these cracks on natural frequency were analyzed over the healthy beam for the first four mode shapes. It is found that the presence of crack decreases the natural frequency of the beam and at some particular locations, the natural frequency of the cracked beam is found to be almost the same as that of the healthy beam.

The multifractal nature of plume structure in high-Rayleigh-number convection

NASA Astrophysics Data System (ADS)

Puthenveettil, Baburaj A.; Ananthakrishna, G.; Arakeri, Jaywant H.

2005-03-01

The geometrically different planforms of near-wall plume structure in turbulent natural convection, visualized by driving the convection using concentration differences across a membrane, are shown to have a common multifractal spectrum of singularities for Rayleigh numbers in the range 1010-1011 at Schmidt number of 602. The scaling is seen for a length scale range of 25 and is independent of the Rayleigh number, the flux, the strength and nature of the large-scale flow, and the aspect ratio. Similar scaling is observed for the plume structures obtained in the presence of a weak flow across the membrane. This common non-trivial spatial scaling is proposed to be due to the same underlying generating process for the near-wall plume structures.

Structure Determination of Natural Products by Mass Spectrometry.

PubMed

Biemann, Klaus

2015-01-01

I review laboratory research on the development of mass spectrometric methodology for the determination of the structure of natural products of biological and medical interest, which I conducted from 1958 to the end of the twentieth century. The methodology was developed by converting small peptides to their corresponding polyamino alcohols to make them amenable to mass spectrometry, thereby making it applicable to whole proteins. The structures of alkaloids were determined by analyzing the fragmentation of a known alkaloid and then using the results to deduce the structures of related compounds. Heparin-like structures were investigated by determining their molecular weights from the mass of protonated molecular ions of complexes with highly basic, synthetic peptides. Mass spectrometry was also employed in the analysis of lunar material returned by the Apollo missions. A miniaturized gas chromatograph mass spectrometer was sent to Mars on board of the two Viking 1976 spacecrafts.

Generic Features of Tertiary Chromatin Structure as Detected in Natural Chromosomes

PubMed Central

Müller, Waltraud G.; Rieder, Dietmar; Kreth, Gregor; Cremer, Christoph; Trajanoski, Zlatko; McNally, James G.

2004-01-01

Knowledge of tertiary chromatin structure in mammalian interphase chromosomes is largely derived from artificial tandem arrays. In these model systems, light microscope images reveal fibers or beaded fibers after high-density targeting of transactivators to insertional domains spanning several megabases. These images of fibers have lent support to chromonema fiber models of tertiary structure. To assess the relevance of these studies to natural mammalian chromatin, we identified two different ∼400-kb regions on human chromosomes 6 and 22 and then examined light microscope images of interphase tertiary chromatin structure when the regions were transcriptionally active and inactive. When transcriptionally active, these natural chromosomal regions elongated, yielding images characterized by a series of adjacent puncta or “beads”, referred to hereafter as beaded images. These elongated structures required transcription for their maintenance. Thus, despite marked differences in the density and the mode of transactivation, the natural and artificial systems showed similarities, suggesting that beaded images are generic features of transcriptionally active tertiary chromatin. We show here, however, that these images do not necessarily favor chromonema fiber models but can also be explained by a radial-loop model or even a simple nucleosome affinity, random-chain model. Thus, light microscope images of tertiary structure cannot distinguish among competing models, although they do impose key constraints: chromatin must be clustered to yield beaded images and then packaged within each cluster to enable decondensation into adjacent clusters. PMID:15485905

Natural nano-structures on insects—possible functions of ordered arrays characterized by atomic force microscopy

NASA Astrophysics Data System (ADS)

Watson, G. S.; Watson, J. A.

2004-07-01

Naturally occurring nano-structures is a much-neglected, but potentially rich, source of products that meet specifications imposed by natural selection. While the pharmaceutical industry has long recognized the value of natural compounds, the emerging industries based on nanotechnology have so far made little use of 'free' technology that has been 'invented' over evolutionary time-scales and driven by the imperatives of species survival. Ordered hexagonal packed array structures on cicada (e.g., Pflatoda claripennis) and termite (e.g., family Rhinotermitidae) wings have been investigated in this study. The spacings range from 200 to 1000 nm. The structures tend to have a rounded shape at the apex and protrude some 150-350 nm out from the surface plane. Wing structures with spacings at the lower end of the range are most likely optimized to serve as an anti-reflective coating (natural 'stealth technology') but may also act as a self-cleaning coating (the Lotus effect). Structures with spacings at the upper end of the range may provide mechanical strength to prevent load failure under flight and/or aid in the aerodynamic efficiency of the insect. This study demonstrates the multi-purpose design of natural structures.

Structured Natural-Language Descriptions for Semantic Content Retrieval of Visual Materials.

ERIC Educational Resources Information Center

Tam, A. M.; Leung, C. H. C.

2001-01-01

Proposes a structure for natural language descriptions of the semantic content of visual materials that requires descriptions to be (modified) keywords, phrases, or simple sentences, with components that are grammatical relations common to many languages. This structure makes it easy to implement a collection's descriptions as a relational…

Differences in Intertidal Microbial Assemblages on Urban Structures and Natural Rocky Reef

PubMed Central

Tan, Elisa L.-Y.; Mayer-Pinto, Mariana; Johnston, Emma L.; Dafforn, Katherine A.

2015-01-01

Global seascapes are increasingly modified to support high levels of human activity in the coastal zone. Modifications include the addition of defense structures and boating infrastructure, such as seawalls and marinas that replace natural habitats. Artificial structures support different macrofaunal communities to those found on natural rocky shores; however, little is known about differences in microbial community structure or function in urban seascapes. Understanding how artificial constructions in marine environments influence microbial communities is important as these assemblages contribute to many basic ecological processes. In this study, the bacterial communities of intertidal biofilms were compared between artificial structures (seawalls) and natural habitats (rocky shores) within Sydney Harbour. Plots were cleared on each type of habitat at eight locations. After 3 weeks the newly formed biofilm was sampled and the 16S rRNA gene sequenced using the Illumina Miseq platform. To account for differences in orientation and substrate material between seawalls and rocky shores that might have influenced our survey, we also deployed recruitment blocks next to the habitats at all locations for 3 weeks and then sampled and sequenced their microbial communities. Intertidal bacterial community structure sampled from plots differed between seawalls and rocky shores, but when substrate material, age and orientation were kept constant (with recruitment blocks) then bacterial communities were similar in composition and structure among habitats. This suggests that changes in bacterial communities on seawalls are not related to environmental differences between locations, but may be related to other intrinsic factors that differ between the habitats such as orientation, complexity, or predation. This is one of the first comparisons of intertidal microbial communities on natural and artificial surfaces and illustrates substantial ecological differences with potential

Supernatural beliefs, natural kinds, and conceptual structure.

PubMed

Walker, S J

1992-11-01

This article presents cross-cultural evidence in support of the notion that adults' natural kind concepts are theory based but may be informed by knowledge/belief systems other than the biological. Three groups of subjects from western Nigeria--rural, urban, and elite--participated in the study. Subjects heard stories describing alterations of appearance; that is, one natural kind was made to resemble another in both ritual and nonritual contexts. Subjects then were required to judge the identity of the altered item and to give an explanation for the category judgment. It was predicted that subjects would make more nonpreservation-of-identity category judgments supported by supernatural explanations in the ritual contexts and that subjects' use of supernatural explanations would reflect the extent of their engagement with the supernatural. The first prediction was borne out; the second prediction was only partially supported. Discussion of the results emphasizes the importance of exploring the role of sociocultural factors in conceptual structure.

Ecological structure and function in a restored versus natural salt marsh

PubMed Central

Rezek, Ryan J.; Lebreton, Benoit; Sterba-Boatwright, Blair

2017-01-01

Habitat reconstruction is commonly employed to restore degraded estuarine habitats and lost ecological functions. In this study, we use a combination of stable isotope analyses and macrofauna community analysis to compare the ecological structure and function between a recently constructed Spartina alterniflora salt marsh and a natural reference habitat over a 2-year period. The restored marsh was successful in providing habitat for economically and ecologically important macrofauna taxa; supporting similar or greater density, biomass, and species richness to the natural reference during all but one sampling period. Stable isotope analyses revealed that communities from the natural and the restored marshes relied on a similar diversity of food resources and that decapods had similar trophic levels. However, some generalist consumers (Palaemonetes spp. and Penaeus aztecus) were more 13C-enriched in the natural marsh, indicating a greater use of macrophyte derived organic matter relative to restored marsh counterparts. This difference was attributed to the higher quantities of macrophyte detritus and organic carbon in natural marsh sediments. Reduced marsh flooding frequency was associated with a reduction in macrofaunal biomass and decapod trophic levels. The restored marsh edge occurred at lower elevations than natural marsh edge, apparently due to reduced fetch and wind-wave exposure provided by the protective berm structures. The lower elevation of the restored marsh edge mitigated negative impacts in sampling periods with low tidal elevations that affected the natural marsh. The results of this study highlight the importance of considering sediment characteristics and elevation in salt marsh constructions. PMID:29261795

Ecological structure and function in a restored versus natural salt marsh.

PubMed

Rezek, Ryan J; Lebreton, Benoit; Sterba-Boatwright, Blair; Beseres Pollack, Jennifer

2017-01-01

Habitat reconstruction is commonly employed to restore degraded estuarine habitats and lost ecological functions. In this study, we use a combination of stable isotope analyses and macrofauna community analysis to compare the ecological structure and function between a recently constructed Spartina alterniflora salt marsh and a natural reference habitat over a 2-year period. The restored marsh was successful in providing habitat for economically and ecologically important macrofauna taxa; supporting similar or greater density, biomass, and species richness to the natural reference during all but one sampling period. Stable isotope analyses revealed that communities from the natural and the restored marshes relied on a similar diversity of food resources and that decapods had similar trophic levels. However, some generalist consumers (Palaemonetes spp. and Penaeus aztecus) were more 13C-enriched in the natural marsh, indicating a greater use of macrophyte derived organic matter relative to restored marsh counterparts. This difference was attributed to the higher quantities of macrophyte detritus and organic carbon in natural marsh sediments. Reduced marsh flooding frequency was associated with a reduction in macrofaunal biomass and decapod trophic levels. The restored marsh edge occurred at lower elevations than natural marsh edge, apparently due to reduced fetch and wind-wave exposure provided by the protective berm structures. The lower elevation of the restored marsh edge mitigated negative impacts in sampling periods with low tidal elevations that affected the natural marsh. The results of this study highlight the importance of considering sediment characteristics and elevation in salt marsh constructions.

A Comparison of Hyporheic Transport at a Cross-Vane Structure and Natural Riffle.

PubMed

Smidt, Samuel J; Cullin, Joseph A; Ward, Adam S; Robinson, Jesse; Zimmer, Margaret A; Lautz, Laura K; Endreny, Theodore A

2015-01-01

While restoring hyporheic flowpaths has been cited as a benefit to stream restoration structures, little documentation exists confirming that constructed restoration structures induce comparable hyporheic exchange to natural stream features. This study compares a stream restoration structure (cross-vane) to a natural feature (riffle) concurrently in the same stream reach using time-lapsed electrical resistivity (ER) tomography. Using this hydrogeophysical approach, we were able to quantify hyporheic extent and transport beneath the cross-vane structure and the riffle. We interpret from the geophysical data that the cross-vane and the natural riffle induced spatially and temporally unique hyporheic extent and transport, and the cross-vane created both spatially larger and temporally longer hyporheic flowpaths than the natural riffle. Tracer from the 4.67-h injection was detected along flowpaths for 4.6 h at the cross-vane and 4.2 h at the riffle. The spatial extent of the hyporheic zone at the cross-vane was 12% larger than that at the riffle. We compare ER results of this study to vertical fluxes calculated from temperature profiles and conclude significant differences in the interpretation of hyporheic transport from these different field techniques. Results of this study demonstrate a high degree of heterogeneity in transport metrics at both the cross-vane and the riffle and differences between the hyporheic flowpath networks at the two different features. Our results suggest that restoration structures may be capable of creating sufficient exchange flux and timescales of transport to achieve the same ecological functions as natural features, but engineering of the physical and biogeochemical environment may be necessary to realize these benefits. © 2014, National Ground Water Association.

Analysis of vortical structures in turbulent natural convection

NASA Astrophysics Data System (ADS)

Park, Sangro; Lee, Changhoon

2014-11-01

Natural convection of fluid within two parallel walls, Rayleigh-Bénard convection, is studied by direct numerical simulation using a spectral method. The flow is in soft turbulence regime with Rayleigh number 106, 107, 108, Prandtl number 0 . 7 and aspect ratio 4. We investigate the relations between thermal plumes and vortical structures through manipulating the evolution equations of vorticity and velocity gradient tensor. According to simulation results, horizontal vorticity occurs near the wall and changes into vertical vorticity by vertical stretching of fluid element which is caused by vertical movement of the thermal plume. Additionally, eigenvalues, eigenvectors and invariants of velocity gradient tensor show the topologies of vortical structures, including how vortical structures are tilted or stretched. Difference of velocity gradient tensor between inside thermal plumes and background region is also investigated, and the result indicates that thermal plumes play an important role in changing the distribution of vortical structures. The results of this study are consistent with other researches which suggest that vertical vorticity is stronger in high Rayleigh number flows. Details will be presented in the meeting.

Initial effects of restoring natural forest structures in Estonia

Treesearch

D. Laarmann; H. Korjus; A. Sims; A. Kangur; J.A. Stanturf

2013-01-01

The legacy of structural homogenization due to forest management for commercial products is a loss of biodiversity. A common policy in many European countries is to increase forest diversity by converting managed forests to more natural conditions. The aim of this study was to provide an early evaluation of the effectiveness of different restoration treatments to...

Structures and properties of naturally occurring polyether antibiotics.

PubMed

Rutkowski, Jacek; Brzezinski, Bogumil

2013-01-01

Polyether ionophores represent a large group of natural, biologically active substances produced by Streptomyces spp. They are lipid soluble and able to transport metal cations across cell membranes. Several of polyether ionophores are widely used as growth promoters in veterinary. Polyether antibiotics show a broad spectrum of bioactivity ranging from antibacterial, antifungal, antiparasitic, antiviral, and tumour cell cytotoxicity. Recently, it has been shown that some of these compounds are able to selectively kill cancer stem cells and multidrug-resistant cancer cells. Thus, they are recognized as new potential anticancer drugs. The biological activity of polyether ionophores is strictly connected with their molecular structure; therefore, the purpose of this paper is to present an overview of their formula, molecular structure, and properties.

Structures and Properties of Naturally Occurring Polyether Antibiotics

PubMed Central

Rutkowski, Jacek; Brzezinski, Bogumil

2013-01-01

Polyether ionophores represent a large group of natural, biologically active substances produced by Streptomyces spp. They are lipid soluble and able to transport metal cations across cell membranes. Several of polyether ionophores are widely used as growth promoters in veterinary. Polyether antibiotics show a broad spectrum of bioactivity ranging from antibacterial, antifungal, antiparasitic, antiviral, and tumour cell cytotoxicity. Recently, it has been shown that some of these compounds are able to selectively kill cancer stem cells and multidrug-resistant cancer cells. Thus, they are recognized as new potential anticancer drugs. The biological activity of polyether ionophores is strictly connected with their molecular structure; therefore, the purpose of this paper is to present an overview of their formula, molecular structure, and properties. PMID:23586016

Intrinsic hierarchical structural imperfections in a natural ceramic of bivalve shell with distinctly graded properties.

PubMed

Jiao, Da; Liu, Zengqian; Zhang, Zhenjun; Zhang, Zhefeng

2015-07-22

Despite the extensive investigation on the structure of natural biological materials, insufficient attention has been paid to the structural imperfections by which the mechanical properties of synthetic materials are dominated. In this study, the structure of bivalve Saxidomus purpuratus shell has been systematically characterized quantitatively on multiple length scales from millimeter to sub-nanometer. It is revealed that hierarchical imperfections are intrinsically involved in the crossed-lamellar structure of the shell despite its periodically packed platelets. In particular, various favorable characters which are always pursued in synthetic materials, e.g. nanotwins and low-angle misorientations, have been incorporated herein. The possible contributions of these imperfections to mechanical properties are further discussed. It is suggested that the imperfections may serve as structural adaptations, rather than detrimental defects in the real sense, to help improve the mechanical properties of natural biological materials. This study may aid in understanding the optimizing strategies of structure and properties designed by nature, and accordingly, provide inspiration for the design of synthetic materials.

Development of structure in natural silk spinning and poly(vinyl alcohol) hydrogel formation

NASA Astrophysics Data System (ADS)

Willcox, Patricia Jeanene

This research involves the characterization of structure and structure formation in aqueous systems. Particularly, these studies investigate the effect of various processing variables on the structure formation that occurs upon conversion from aqueous solution to fiber or hydrogel. The two processes studied include natural silk fiber spinning and physical gelation of poly(vinyl alcohol), PVOH, in water. The techniques employed combine cryogenic technology for sample preparation and direct observation by transmission electron microscopy with electron diffraction, atomic force microscopy, optical rheometry, X-ray scattering and optical microscopy. In order to explore the full range of structure formation in natural silk spinning, studies are conducted in vivo and in vitro. In vivo structural investigations are accomplished through the cryogenic quenching and subsequent microtoming of live silk-spinning animals, Nephila clavipes (spider) and Bombyx mori (silkworm). Observations made using transmission electron microscopy, electron diffraction and atomic force microscopy indicate a cholesteric liquid crystalline mesophase of aqueous silk fibroin in both species. The mechanism of structure formation in solution is studied in vitro using optical rheometry on aqueous solutions made from regenerated Bombyx mori cocoon silk. Concentrated solutions exhibit birefringence under flow, with a wormlike conformation of the silk molecules in concentrated salt solution. Changes in salt concentration and pH of the aqueous silk solutions result in differing degrees of alignment and aggregation. These results suggest that structural control in the natural silk spinning process is accomplished by chemical manipulation of the electrostatic interactions and hydrogen bonding between chains. Application of cryogenic methods in transmission electron microscopy also provides a unique look at hydration-dependent structures in gels of poly(vinyl alcohol) produced by freeze-thaw processing

Vertical and Horizontal Vegetation Structure across Natural and Modified Habitat Types at Mount Kilimanjaro

PubMed Central

Rutten, Gemma; Ensslin, Andreas; Hemp, Andreas; Fischer, Markus

2015-01-01

In most habitats, vegetation provides the main structure of the environment. This complexity can facilitate biodiversity and ecosystem services. Therefore, measures of vegetation structure can serve as indicators in ecosystem management. However, many structural measures are laborious and require expert knowledge. Here, we used consistent and convenient measures to assess vegetation structure over an exceptionally broad elevation gradient of 866–4550m above sea level at Mount Kilimanjaro, Tanzania. Additionally, we compared (human)-modified habitats, including maize fields, traditionally managed home gardens, grasslands, commercial coffee farms and logged and burned forests with natural habitats along this elevation gradient. We distinguished vertical and horizontal vegetation structure to account for habitat complexity and heterogeneity. Vertical vegetation structure (assessed as number, width and density of vegetation layers, maximum canopy height, leaf area index and vegetation cover) displayed a unimodal elevation pattern, peaking at intermediate elevations in montane forests, whereas horizontal structure (assessed as coefficient of variation of number, width and density of vegetation layers, maximum canopy height, leaf area index and vegetation cover) was lowest at intermediate altitudes. Overall, vertical structure was consistently lower in modified than in natural habitat types, whereas horizontal structure was inconsistently different in modified than in natural habitat types, depending on the specific structural measure and habitat type. Our study shows how vertical and horizontal vegetation structure can be assessed efficiently in various habitat types in tropical mountain regions, and we suggest to apply this as a tool for informing future biodiversity and ecosystem service studies. PMID:26406985

Vertical and Horizontal Vegetation Structure across Natural and Modified Habitat Types at Mount Kilimanjaro.

PubMed

Rutten, Gemma; Ensslin, Andreas; Hemp, Andreas; Fischer, Markus

2015-01-01

In most habitats, vegetation provides the main structure of the environment. This complexity can facilitate biodiversity and ecosystem services. Therefore, measures of vegetation structure can serve as indicators in ecosystem management. However, many structural measures are laborious and require expert knowledge. Here, we used consistent and convenient measures to assess vegetation structure over an exceptionally broad elevation gradient of 866-4550 m above sea level at Mount Kilimanjaro, Tanzania. Additionally, we compared (human)-modified habitats, including maize fields, traditionally managed home gardens, grasslands, commercial coffee farms and logged and burned forests with natural habitats along this elevation gradient. We distinguished vertical and horizontal vegetation structure to account for habitat complexity and heterogeneity. Vertical vegetation structure (assessed as number, width and density of vegetation layers, maximum canopy height, leaf area index and vegetation cover) displayed a unimodal elevation pattern, peaking at intermediate elevations in montane forests, whereas horizontal structure (assessed as coefficient of variation of number, width and density of vegetation layers, maximum canopy height, leaf area index and vegetation cover) was lowest at intermediate altitudes. Overall, vertical structure was consistently lower in modified than in natural habitat types, whereas horizontal structure was inconsistently different in modified than in natural habitat types, depending on the specific structural measure and habitat type. Our study shows how vertical and horizontal vegetation structure can be assessed efficiently in various habitat types in tropical mountain regions, and we suggest to apply this as a tool for informing future biodiversity and ecosystem service studies.

Intrinsic hierarchical structural imperfections in a natural ceramic of bivalve shell with distinctly graded properties

PubMed Central

Jiao, Da; Liu, Zengqian; Zhang, Zhenjun; Zhang, Zhefeng

2015-01-01

Despite the extensive investigation on the structure of natural biological materials, insufficient attention has been paid to the structural imperfections by which the mechanical properties of synthetic materials are dominated. In this study, the structure of bivalve Saxidomus purpuratus shell has been systematically characterized quantitatively on multiple length scales from millimeter to sub-nanometer. It is revealed that hierarchical imperfections are intrinsically involved in the crossed-lamellar structure of the shell despite its periodically packed platelets. In particular, various favorable characters which are always pursued in synthetic materials, e.g. nanotwins and low-angle misorientations, have been incorporated herein. The possible contributions of these imperfections to mechanical properties are further discussed. It is suggested that the imperfections may serve as structural adaptations, rather than detrimental defects in the real sense, to help improve the mechanical properties of natural biological materials. This study may aid in understanding the optimizing strategies of structure and properties designed by nature, and accordingly, provide inspiration for the design of synthetic materials. PMID:26198844

Amyloid fibril formation from sequences of a natural beta-structured fibrous protein, the adenovirus fiber.

PubMed

Papanikolopoulou, Katerina; Schoehn, Guy; Forge, Vincent; Forsyth, V Trevor; Riekel, Christian; Hernandez, Jean-François; Ruigrok, Rob W H; Mitraki, Anna

2005-01-28

Amyloid fibrils are fibrous beta-structures that derive from abnormal folding and assembly of peptides and proteins. Despite a wealth of structural studies on amyloids, the nature of the amyloid structure remains elusive; possible connections to natural, beta-structured fibrous motifs have been suggested. In this work we focus on understanding amyloid structure and formation from sequences of a natural, beta-structured fibrous protein. We show that short peptides (25 to 6 amino acids) corresponding to repetitive sequences from the adenovirus fiber shaft have an intrinsic capacity to form amyloid fibrils as judged by electron microscopy, Congo Red binding, infrared spectroscopy, and x-ray fiber diffraction. In the presence of the globular C-terminal domain of the protein that acts as a trimerization motif, the shaft sequences adopt a triple-stranded, beta-fibrous motif. We discuss the possible structure and arrangement of these sequences within the amyloid fibril, as compared with the one adopted within the native structure. A 6-amino acid peptide, corresponding to the last beta-strand of the shaft, was found to be sufficient to form amyloid fibrils. Structural analysis of these amyloid fibrils suggests that perpendicular stacking of beta-strand repeat units is an underlying common feature of amyloid formation.

Yellowstone wolves and the forces that structure natural systems.

PubMed

Dobson, Andy P

2014-12-01

Since their introduction in 1995 and 1996, wolves have had effects on Yellowstone that ripple across the entire structure of the food web that defines biodiversity in the Northern Rockies ecosystem. Ecological interpretations of the wolves have generated a significant amount of debate about the relative strength of top-down versus bottom-up forces in determining herbivore and vegetation abundance in Yellowstone. Debates such as this are central to the resolution of broader debates about the role of natural enemies and climate as forces that structure food webs and modify ecosystem function. Ecologists need to significantly raise the profile of these discussions; understanding the forces that structure food webs and determine species abundance and the supply of ecosystem services is one of the central scientific questions for this century; its complexity will require new minds, new mathematics, and significant, consistent funding.

Yellowstone Wolves and the Forces That Structure Natural Systems

PubMed Central

Dobson, Andy P.

2014-01-01

Since their introduction in 1995 and 1996, wolves have had effects on Yellowstone that ripple across the entire structure of the food web that defines biodiversity in the Northern Rockies ecosystem. Ecological interpretations of the wolves have generated a significant amount of debate about the relative strength of top-down versus bottom-up forces in determining herbivore and vegetation abundance in Yellowstone. Debates such as this are central to the resolution of broader debates about the role of natural enemies and climate as forces that structure food webs and modify ecosystem function. Ecologists need to significantly raise the profile of these discussions; understanding the forces that structure food webs and determine species abundance and the supply of ecosystem services is one of the central scientific questions for this century; its complexity will require new minds, new mathematics, and significant, consistent funding. PMID:25535737

Transactional, Cooperative, and Communal: Relating the Structure of Engineering Engagement Programs with the Nature of Partnerships

ERIC Educational Resources Information Center

Thompson, Julia D.; Jesiek, Brent K.

2017-01-01

This paper examines how the structural features of engineering engagement programs (EEPs) are related to the nature of their service-learning partnerships. "Structure" refers to formal and informal models, processes, and operations adopted or used to describe engagement programs, while "nature" signifies the quality of…

25th anniversary article: scalable multiscale patterned structures inspired by nature: the role of hierarchy.

PubMed

Bae, Won-Gyu; Kim, Hong Nam; Kim, Doogon; Park, Suk-Hee; Jeong, Hoon Eui; Suh, Kahp-Yang

2014-02-01

Multiscale, hierarchically patterned surfaces, such as lotus leaves, butterfly wings, adhesion pads of gecko lizards are abundantly found in nature, where microstructures are usually used to strengthen the mechanical stability while nanostructures offer the main functionality, i.e., wettability, structural color, or dry adhesion. To emulate such hierarchical structures in nature, multiscale, multilevel patterning has been extensively utilized for the last few decades towards various applications ranging from wetting control, structural colors, to tissue scaffolds. In this review, we highlight recent advances in scalable multiscale patterning to bring about improved functions that can even surpass those found in nature, with particular focus on the analogy between natural and synthetic architectures in terms of the role of different length scales. This review is organized into four sections. First, the role and importance of multiscale, hierarchical structures is described with four representative examples. Second, recent achievements in multiscale patterning are introduced with their strengths and weaknesses. Third, four application areas of wetting control, dry adhesives, selectively filtrating membranes, and multiscale tissue scaffolds are overviewed by stressing out how and why multiscale structures need to be incorporated to carry out their performances. Finally, we present future directions and challenges for scalable, multiscale patterned surfaces. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.

PubMed

Skinnider, Michael A; Dejong, Chris A; Franczak, Brian C; McNicholas, Paul D; Magarvey, Nathan A

2017-08-16

Natural products represent a prominent source of pharmaceutically and industrially important agents. Calculating the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery pipeline. Quantifying the similarity of natural products is a particularly important problem, as the biological activities of these molecules have been extensively optimized by natural selection. The large and structurally complex scaffolds of natural products distinguish their physical and chemical properties from those of synthetic compounds. However, no analysis of the performance of existing methods for molecular similarity calculation specific to natural products has been reported to date. Here, we present LEMONS, an algorithm for the enumeration of hypothetical modular natural product structures. We leverage this algorithm to conduct a comparative analysis of molecular similarity methods within the unique chemical space occupied by modular natural products using controlled synthetic data, and comprehensively investigate the impact of diverse biosynthetic parameters on similarity search. We additionally investigate a recently described algorithm for natural product retrobiosynthesis and alignment, and find that when rule-based retrobiosynthesis can be applied, this approach outperforms conventional two-dimensional fingerprints, suggesting it may represent a valuable approach for the targeted exploration of natural product chemical space and microbial genome mining. Our open-source algorithm is an extensible method of enumerating hypothetical natural product structures with diverse potential applications in bioinformatics.

Bioactive Structure of Membrane Lipids and Natural Products Elucidated by a Chemistry-Based Approach.

PubMed

Murata, Michio; Sugiyama, Shigeru; Matsuoka, Shigeru; Matsumori, Nobuaki

2015-08-01

Determining the bioactive structure of membrane lipids is a new concept, which aims to examine the functions of lipids with respect to their three-dimensional structures. As lipids are dynamic by nature, their "structure" does not refer solely to a static picture but also to the local and global motions of the lipid molecules. We consider that interactions with lipids, which are completely defined by their structures, are controlled by the chemical, functional, and conformational matching between lipids and between lipid and protein. In this review, we describe recent advances in understanding the bioactive structures of membrane lipids bound to proteins and related molecules, including some of our recent results. By examining recent works on lipid-raft-related molecules, lipid-protein interactions, and membrane-active natural products, we discuss current perspectives on membrane structural biology. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of carbon black loading and structure on tensile property of natural rubber composite

NASA Astrophysics Data System (ADS)

Savetlana, S.; Zulhendri; Sukmana, I.; Saputra, F. A.

2017-07-01

Natural rubber composite has been continuously developed due to its advantages such as a good combination of strength and damping property. Most of carbon black (CB)/Natural Rubber (NR) composite were used as material in tyre industry. The addition of CB in natural rubber is very important to enhance the strength of natural rubber. The particle loading and different structure of CB can affect the composite strength. The effects of CB particle loading of 20, 25 and 30 wt% and the effects of CB structures of N220, N330, N550 and N660 series on tensile property of composite were investigated. The result shows that the tensile strength and elastic modulus of natural rubber/CB composite was higher than pure natural rubber. From SEM observation the agglomeration of CB aggregate increases with particle loading. It leads to decrease of tensile strength of composite as more particle was added. High structure of CB particle i.e. N220 resulted in highest tensile stress. In fact, composite reinforced by N660 CB particle shown a comparable tensile strength and elastic modulus with N220 CB particle. SEM observation shows that agglomeration of CB aggregates of N330 and N550 results in lower stress of associate NR/CB composite.

Processing bulk natural wood into a high-performance structural material

Treesearch

Jianwei Song; Chaoji Chen; Shuze Zhu; Mingwei Zhu; Jiaqi Dai; Upamanyu Ray; Yiju Li; Yudi Kuang; Yongfeng Li; Nelson Quispe; Yonggang Yao; Amy Gong; Ulrich H. Leiste; Hugh A. Bruck; J. Y. Zhu; Azhar Vellore; Heng Li; Marilyn L. Minus; Zheng Jia; Ashlie Martini; Teng Li; Liangbing Hu

2018-01-01

Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites)1–8. Natural wood is a low-cost and abundant material and has been used...

Hybrid Aluminum and Natural Fiber Composite Structure for Crash Safety Improvement

NASA Astrophysics Data System (ADS)

Helaili, S.; Chafra, M.; Chevalier, Y.

There is a growing interest on pedestrian's protection in automotive safety standards. Pedestrians head impact is one of the most important tests. In this paper, a hybrid composite structure made from natural fiber and aluminum, which improve the head protection when impact is taken place, is presented. The structure is made from a honeycomb composite made from unidirectional and woven composites and a thin aluminum layer. A head impact model is developed. The number of hexagonal layers is fixed and the thickness of the aluminum layer of the honeycomb structure is varied. The specific absorption energy is then calculated.

Natural circulating passive cooling system for nuclear reactor containment structure

DOEpatents

Gou, Perng-Fei; Wade, Gentry E.

1990-01-01

A passive cooling system for the contaminant structure of a nuclear reactor plant providing protection against overpressure within the containment attributable to inadvertent leakage or rupture of the system components. The cooling system utilizes natural convection for transferring heat imbalances and enables the discharge of irradiation free thermal energy to the atmosphere for heat disposal from the system.

Structures and Mechanical Properties of Natural and Synthetic Diamonds

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1998-01-01

A revolution in the diamond technology is in progress, as the low-pressure process becomes an industrial reality. It will soon be possible to take advantage of the demanding properties of diamond to develop a myriad of new applications, particularly for self-lubricating, wear-resistant, and superhard coatings. The production of large diamond films or sheets at low cost, a distinct possibility in the not-too-distant future, may drastically change tribology technology, particularly regarding solid lubricants and lubricating materials and systems. This paper reviews the structures and properties of natural and synthetic diamonds to gain a better understanding of the tribological properties of diamond and related materials. Atomic and crystal structure, impurities, mechanical properties, and indentation hardness of diamond are described.

Molecular- and nm-scale Investigation of the Structure and Compositional Heterogeneity of Naturally Occurring Ferrihydrite

NASA Astrophysics Data System (ADS)

Cismasu, C.; Michel, F. M.; Stebbins, J. F.; Tcaciuc, A. P.; Brown, G. E.

2008-12-01

Ferrihydrite is a hydrated Fe(III) nano-oxide that forms in vast quantities in contaminated acid mine drainage environments. As a result of its high surface area, ferrihydrite is an important environmental sorbent, and plays an essential role in the geochemical cycling of pollutant metal(loid)s in these settings. Despite its environmental relevance, this nanomineral remains one of the least understood environmental solids in terms of its structure (bulk and surface), compositional variations, and the factors affecting its reactivity. Under natural aqueous conditions, ferrihydrite often precipitates in the presence of several inorganic compounds such as aluminum, silica, arsenic, etc., or in the presence of organic matter. These impurities can affect the molecular-level structure of naturally occurring ferrihydrite, thus modifying fundamental properties that are directly correlated with solid-phase stability and surface reactivity. Currently there exists a significant gap in our understanding of the structure of synthetic vs. natural ferrihydrites, due to the inherent difficulties associated to the investigation of these poorly crystalline nanophases. In this study, we combined synchrotron- and laboratory-based techniques to characterize naturally occurring ferrihydrite from an acid mine drainage system situated at the New Idria mercury mine in California. We used high-energy X-ray total scattering and pair distribution function analysis to elucidate quantitative structural details of these samples. We have additionally used scanning transmission X-ray microscopy high resolution imaging (30 nm) to evaluate the spatial relationship of major elements Si, Al, and C within ferrihydrite. Al, Si and C K-edge near- edge X-ray absorption fine structure spectroscopy and 27Al nuclear magnetic resonance spectroscopy were used to obtain short-range structural information. By combining these techniques we attain the highest level of resolution permitted by current analytical

Beach Resilience to Coastal Structures on a Natural Beach

NASA Astrophysics Data System (ADS)

Torres-Freyermuth, A.; Medellín, G.; Hofman, A.; Tereszkiewicz, P.; Palemón-Arcos, L.; López-González, J.

2016-12-01

Beach resilience plays an important role on reducing coastal risk associated to either natural or human induced perturbations affecting the coast. Field experiments were conducted in order to investigate beach resilience in Sisal, Yucatán. Both impermeable and permeable 14-m groins were designed to asses the impact of coastal structures on the beach morphology during a 24-hour period. The experiments were conducted in the spring of 2015 and 2016, allowing the assessment of both structures under similar forcing conditions. Intense sea breeze events (W>12 m/s) generated high-angle short-waves, driving alongshore transport in the swash zone. Wind, waves, tides, and currents were measured concurrently and are correlated with beach morphology evolution data derived from intense monitoring conducted during the structure deployment. The impermeable structure induced a significant beach accretion (>60 m3/day) in the updrift side of the structure causing a tremendous impact downdrift. On the other hand, the permeable groin induced a smaller but still significant accretion (40 m3/day), allowing sediment bypass throughout the structure. Furthermore, the beach surveying continued after structures removal in order to estimate the beach recovery capability. Field observations show that the impact of the structure on the morphology is negligible six days after structure removal for the impermeable groin and only one day for the permeable structure. The latter suggests the high beach resilience of the study area. We acknowledge field support provided by researchers and students at the LIPC-UNAM. Financial support was provided by CONACYT (Projects LN271544 and Cátedras 1146), DGAPA-UNAM (PAPIIT-IN107315) and Grupo BARI.

Fish assemblages at engineered and natural channel structures in the lower Missouri river: implications for modified dike structures

USGS Publications Warehouse

Schloesser, J.T.; Paukert, Craig P.; Doyle, W.J.; Hill, T.; Steffensen, K.D.; Travnichek, Vincent H.

2012-01-01

Large rivers throughout the world have been modified by using dike structures to divert water flows to deepwater habitats to maintain navigation channels. These modifications have been implicated in the decline in habitat diversity and native fishes. However, dike structures have been modified in the Missouri River USA to increase habitat diversity to aid in the recovery of native fishes. We compared species occupancy and fish community composition at natural sandbars and at notched and un-notched rock dikes along the lower Missouri River to determine if notching dikes increases species diversity or occupancy of native fishes. Fish were collected using gill nets, trammel nets, otter trawls, and mini fyke nets throughout the lower 1212 river km of the Missouri River USA from 2003 to 2006. Few differences in species richness and diversity were evident among engineered dike structures and natural sandbars. Notching a dike structure had no effect on proportional abundance of fluvial dependents, fluvial specialists, and macrohabitat generalists. Occupancy at notched dikes increased for two species but did not differ for 17 other species (81%). Our results suggest that dike structures may provide suitable habitats for fluvial species compared with channel sand bars, but dike notching did not increase abundance or occupancy of most Missouri River fishes. Published in 2011 by John Wiley & Sons, Ltd.

The impact of natural transformation on adaptation in spatially structured bacterial populations.

PubMed

Moradigaravand, Danesh; Engelstädter, Jan

2014-06-20

Recent studies have demonstrated that natural transformation and the formation of highly structured populations in bacteria are interconnected. In spite of growing evidence about this connection, little is known about the dynamics of natural transformation in spatially structured bacterial populations. In this work, we model the interdependency between the dynamics of the bacterial gene pool and those of environmental DNA in space to dissect the effect of transformation on adaptation. Our model reveals that even with only a single locus under consideration, transformation with a free DNA fragment pool results in complex adaptation dynamics that do not emerge in previous models focusing only on the gene shuffling effect of transformation at multiple loci. We demonstrate how spatial restriction on population growth and DNA diffusion in the environment affect the impact of transformation on adaptation. We found that in structured bacterial populations intermediate DNA diffusion rates predominantly cause transformation to impede adaptation by spreading deleterious alleles in the population. Overall, our model highlights distinctive evolutionary consequences of bacterial transformation in spatially restricted compared to planktonic bacterial populations.

Petrography, fluid inclusion and isotope studies in Ordovician carbonate reservoirs in the Shunnan area, Tarim basin, NW China: Implications for the nature and timing of silicification

NASA Astrophysics Data System (ADS)

Lu, Ziye; Chen, Honghan; Qing, Hairuo; Chi, Guoxiang; Chen, Qianglu; You, Donghua; Yin, Hang; Zhang, Siyang

2017-08-01

The Shunnan (SN) area, located in the center of the Tarim basin, NW China, is a gas field discovered in 2013, where the gas is hosted from deeply buried Ordovician carbonate reservoirs with burial depth > 6000 m and temperature > 190 °C. The most important reservoir rocks in the SN area are silicified limestones, which are characterized by multiple generations/types of authigenic quartz (Qz1-Qz2) and coarse calcite cement (CC1-CC3), in addition to other diagenetic phases. Qz1 is a replacement quartz postdating burial stylolites in both limestone and strongly silicified limestone, and Qz2 are equant and bladed quartz cements developed in fractures or vugs in strongly silicified limestone, also postdating burial stylolite. CC1 is a coarse calcite cement found in the vugs, which postdates medium crystalline dolomite and predates saddle dolomite. CC2 (including CC2a, CC2b and CC2c) is the calcite postdating Qz1 and burial stylolites. CC2a is found in fractures in limestone or slightly silicified limestone. CC2b, CC2c and CC3 are only identified in strongly silicified limestone. CC2b fills intercrystalline pores of Qz1, and CC2c fills fractures, predating Qz2. CC3 is precipitated in remaining space left by Qz2c in fractures or vugs. Sr isotopes were analyzed in CC2a and CC2c. CC2a has 87Sr/86Sr ratios of 0.70890-0.70917. CC2c is characterized with 87Sr/86Sr ratios of 0.70949-0.70972. Fluid inclusions were studied in all the quartz and coarse calcite cements. Fluid inclusions in CC2a are characterized by Th values of 118-131 °C and salinities of 22.9-25.2 wt% NaCl + CaCl2. Fluid inclusions from Qz2a, Qz2b, CC2b and CC2c have Th values of 143-166 °C and salinities of 14.7-23.7 wt% NaCl + CaCl2. Fluid inclusions in Qz2c are characterized by Th values of 125-132 °C and salinities of 24.8-26.8 wt% NaCl + CaCl2, and those in CC3 by Th values of 86-101 °C and salinities of 22.9-25.2 wt% NaCl + CaCl2. The Th drop, from Qz2a, Qz2b and CC2c to Qz2c and CC3, cannot be

A Structural Model of Prospective Science Teachers' Nature of Science Views

ERIC Educational Resources Information Center

Mugaloglu, Ebru Z.; Bayram, Hale

2010-01-01

This study aims to establish a viable structural model of prospective science teachers' nature of science (NOS) views, which could be used as an analytical tool for understanding the complex relationships between prospective teachers' conceptions of NOS and factors possibly affecting their conceptions. In order to construct such a model, likely…

Predation Limits Spread of Didemnum vexillum into Natural Habitats from Refuges on Anthropogenic Structures

PubMed Central

Forrest, Barrie M.; Fletcher, Lauren M.; Atalah, Javier; Piola, Richard F.; Hopkins, Grant A.

2013-01-01

Non-indigenous species can dominate fouling assemblages on artificial structures in marine environments; however, the extent to which infected structures act as reservoirs for subsequent spread to natural habitats is poorly understood. Didemnum vexillum is one of few colonial ascidian species that is widely reported to be highly invasive in natural ecosystems, but which in New Zealand proliferates only on suspended structures. Experimental work revealed that D. vexillum established equally well on suspended artificial and natural substrata, and was able to overgrow suspended settlement plates that were completely covered in other cosmopolitan fouling species. Fragmentation led to a level of D. vexillum cover that was significantly greater than was achieved as a result of ambient larval recruitment. The species failed to establish following fragment transplants onto seabed cobbles and into beds of macroalgae. The establishment success of D. vexillum was greatest in summer compared with autumn, and on the underside of experimental settlement plates that were suspended off the seabed to avoid benthic predators. Where benthic predation pressure was reduced by caging, D. vexillum establishment success was broadly comparable to suspended treatments; by contrast, the species did not establish on the face-up aspect of uncaged plates. This study provides compelling evidence that benthic predation was a key mechanism that prevented D. vexillum’s establishment in the cobble habitats of the study region. The widespread occurrence of D. vexillum on suspended anthropogenic structures is consistent with evidence for other sessile invertebrates that such habitats provide a refuge from benthic predation. For invasive species generally, anthropogenic structures are likely to be most important as propagule reservoirs for spread to natural habitats in situations where predation and other mechanisms do not limit their subsequent proliferation. PMID:24349228

NATURAL AND HUMAN FACTORS STRUCTURING FISH ASSEMBLAGES IN WEST VIRGINIA WADEABLE STREAMS

EPA Science Inventory

We surveyed fishes and environmental variables in 119 stream basins to identify natural and anthropogenic factors structuring fish assemblages. We collected fishes and physico-chemical variables using standardized EPA methods and compiled basin characteristics (e.g., land cover)...

Examining the Factor Structure and Hierarchical Nature of the Quality of Life Construct

ERIC Educational Resources Information Center

Wang, Mian; Schalock, Robert L.; Verdugo, Miguel A.; Jenaro, Christina

2010-01-01

There is considerable debate in the area of individual quality of life research regarding the factor structure and hierarchical nature of the quality of life construct. Our purpose in this study was to test via structural equation modeling an a priori quality of life model consisting of eight first-order factors and one second-order factor. Data…

Energy Absorption Capacity in Natural Fiber Reinforcement Composites Structures

PubMed Central

López-Alba, Elías; Díaz, Francisco

2018-01-01

The study of natural fiber reinforcement composite structures has focused the attention of the automobile industry due to the new regulation in relation to the recyclability and the reusability of the materials preserving and/or improving the mechanical characteristics. The influence of different parameters on the material behavior of natural fiber reinforced plastic structures has been investigated, showing the potential for transport application in energy absorbing structures. Two different woven fabrics (twill and hopsack) made of flax fibers as well as a non-woven mat made of a mixture of hemp and kenaf fibers were employed as reinforcing materials. These reinforcing textiles were impregnated with both HD-PE (high-density polyethylen) and PLA (polylactic acid) matrix, using a continuous compression molding press. The impregnated semi-finished laminates (so-called organic sheets) were thermoformed in a second step to half-tubes that were assembled through vibration-welding process to cylindric crash absorbers. The specimens were loaded by compression to determine the specific energy absorption capacity. Quasi-static test results were compared to dynamic test data obtained on a catapult arrangement. The differences on the specific energies absorption (SEA) as a function of different parameters, such as the wall thickness, the weave material type, the reinforced textiles, and the matrix used, depending on the velocity rate application were quantified. In the case of quasi-static analysis it is observed a 20% increment in the SEA value when wove Hopsack fabric reinforcement is employed. No velocity rate influence from the material was observed on the SEA evaluation at higher speeds used to perform the experiments. The influence of the weave configuration (Hopsack) seems to be more stable against buckling effects at low loading rates with 10% higher SEA values. An increase of SEA level of up to 72% for PLA matrix was observed when compared with HD-PE matrix. PMID

Energy Absorption Capacity in Natural Fiber Reinforcement Composites Structures.

PubMed

López-Alba, Elías; Schmeer, Sebastian; Díaz, Francisco

2018-03-13

The study of natural fiber reinforcement composite structures has focused the attention of the automobile industry due to the new regulation in relation to the recyclability and the reusability of the materials preserving and/or improving the mechanical characteristics. The influence of different parameters on the material behavior of natural fiber reinforced plastic structures has been investigated, showing the potential for transport application in energy absorbing structures. Two different woven fabrics (twill and hopsack) made of flax fibers as well as a non-woven mat made of a mixture of hemp and kenaf fibers were employed as reinforcing materials. These reinforcing textiles were impregnated with both HD-PE (high-density polyethylen) and PLA (polylactic acid) matrix, using a continuous compression molding press. The impregnated semi-finished laminates (so-called organic sheets) were thermoformed in a second step to half-tubes that were assembled through vibration-welding process to cylindric crash absorbers. The specimens were loaded by compression to determine the specific energy absorption capacity. Quasi-static test results were compared to dynamic test data obtained on a catapult arrangement. The differences on the specific energies absorption (SEA) as a function of different parameters, such as the wall thickness, the weave material type, the reinforced textiles, and the matrix used, depending on the velocity rate application were quantified. In the case of quasi-static analysis it is observed a 20% increment in the SEA value when wove Hopsack fabric reinforcement is employed. No velocity rate influence from the material was observed on the SEA evaluation at higher speeds used to perform the experiments. The influence of the weave configuration (Hopsack) seems to be more stable against buckling effects at low loading rates with 10% higher SEA values. An increase of SEA level of up to 72% for PLA matrix was observed when compared with HD-PE matrix.

Book review: Decision making in natural resource management: A structured adaptive approach

USGS Publications Warehouse

Fuller, Angela K.

2014-01-01

No abstract available.Book information: Decision Making in Natural Resource Management: A Structured Adaptive Approach. Michael J. Conroy and James T. Peterson, 2013. Wiley-Blackwell, Oxford, UK. 456 pp. $99.95 paperback. ISBN: 978-0-470-67174-0.

Responses of auditory-cortex neurons to structural features of natural sounds.

PubMed

Nelken, I; Rotman, Y; Bar Yosef, O

1999-01-14

Sound-processing strategies that use the highly non-random structure of natural sounds may confer evolutionary advantage to many species. Auditory processing of natural sounds has been studied almost exclusively in the context of species-specific vocalizations, although these form only a small part of the acoustic biotope. To study the relationships between properties of natural soundscapes and neuronal processing mechanisms in the auditory system, we analysed sound from a range of different environments. Here we show that for many non-animal sounds and background mixtures of animal sounds, energy in different frequency bands is coherently modulated. Co-modulation of different frequency bands in background noise facilitates the detection of tones in noise by humans, a phenomenon known as co-modulation masking release (CMR). We show that co-modulation also improves the ability of auditory-cortex neurons to detect tones in noise, and we propose that this property of auditory neurons may underlie behavioural CMR. This correspondence may represent an adaptation of the auditory system for the use of an attribute of natural sounds to facilitate real-world processing tasks.

[Landscape quality evaluation and vertical structure optimization of natural broadleaf forest].

PubMed

Ouyang, Xun-zhi; Liao, Wei-ming; Peng, Shi-kui

2007-06-01

Taking the natural broadleaf forest in Wuyuan County of Jiangxi Province as study object, a total of 30 representative photos of near-view landscapes and related information were collected. The scenic beauty values were acquired by public judgment method, and the relationship models of scenic beauty values and landscape elements were established by using multiple mathematical model. The results showed that the main elements affecting the near-view landscape quality of natural broadleaf forest were the trunk form, stand density, undergrowth coverage and height, natural pruning, and color richness, with the partial correlation coefficients being 0.4482-0.7724, which were significant or very significant by t-test. The multiple correlation coefficient of the model reached 0.9508, showing very significant by F test (F = 36.11). Straight trunk, better natural pruning and rich color did well, while the super-high or low stand density and undergrowth coverage and height did harm to the scenic beauty. Several management measures for the vertical structure optimization of these landscape elements were put forward.

Natural Kenaf Fiber Reinforced Composites as Engineered Structural Materials

NASA Astrophysics Data System (ADS)

Dittenber, David B.

The objective of this work was to provide a comprehensive evaluation of natural fiber reinforced polymer (NFRP)'s ability to act as a structural material. As a chemical treatment, aligned kenaf fibers were treated with sodium hydroxide (alkalization) in different concentrations and durations and then manufactured into kenaf fiber / vinyl ester composite plates. Single fiber tensile properties and composite flexural properties, both in dry and saturated environments, were assessed. Based on ASTM standard testing, a comparison of flexural, tensile, compressive, and shear mechanical properties was also made between an untreated kenaf fiber reinforced composite, a chemically treated kenaf fiber reinforced composite, a glass fiber reinforced composite, and oriented strand board (OSB). The mechanical properties were evaluated for dry samples, samples immersed in water for 50 hours, and samples immersed in water until saturation (~2700 hours). Since NFRPs are more vulnerable to environmental effects than synthetic fiber composites, a series of weathering and environmental tests were conducted on the kenaf fiber composites. The environmental conditions studied include real-time outdoor weathering, elevated temperatures, immersion in different pH solutions, and UV exposure. In all of these tests, degradation was found to be more pronounced in the NFRPs than in the glass FRPs; however, in nearly every case the degradation was less than 50% of the flexural strength or stiffness. Using a method of overlapping and meshing discontinuous fiber ends, large mats of fiber bundles were manufactured into composite facesheets for structural insulated panels (SIPs). The polyisocyanurate foam cores proved to be poorly matched to the strength and stiffness of the NFRP facesheets, leading to premature core shear or delamination failures in both flexure and compressive testing. The NFRPs were found to match well with the theoretical stiffness prediction methods of classical lamination

Creation of structured documentation templates using Natural Language Processing techniques.

PubMed

Kashyap, Vipul; Turchin, Alexander; Morin, Laura; Chang, Frank; Li, Qi; Hongsermeier, Tonya

2006-01-01

Structured Clinical Documentation is a fundamental component of the healthcare enterprise, linking both clinical (e.g., electronic health record, clinical decision support) and administrative functions (e.g., evaluation and management coding, billing). One of the challenges in creating good quality documentation templates has been the inability to address specialized clinical disciplines and adapt to local clinical practices. A one-size-fits-all approach leads to poor adoption and inefficiencies in the documentation process. On the other hand, the cost associated with manual generation of documentation templates is significant. Consequently there is a need for at least partial automation of the template generation process. We propose an approach and methodology for the creation of structured documentation templates for diabetes using Natural Language Processing (NLP).

Anthropogenic and natural sources of acidity and metals and their influence on the structure of stream food webs.

PubMed

Hogsden, Kristy L; Harding, Jon S

2012-03-01

We compared food web structure in 20 streams with either anthropogenic or natural sources of acidity and metals or circumneutral water chemistry in New Zealand. Community and diet analysis indicated that mining streams receiving anthropogenic inputs of acidic and metal-rich drainage had much simpler food webs (fewer species, shorter food chains, less links) than those in naturally acidic, naturally high metal, and circumneutral streams. Food webs of naturally high metal streams were structurally similar to those in mining streams, lacking fish predators and having few species. Whereas, webs in naturally acidic streams differed very little from those in circumneutral streams due to strong similarities in community composition and diets of secondary and top consumers. The combined negative effects of acidity and metals on stream food webs are clear. However, elevated metal concentrations, regardless of source, appear to play a more important role than acidity in driving food web structure. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nekton assemblage structure in natural and created marsh-edge habitats of the Guadalupe Estuary, Texas, USA

NASA Astrophysics Data System (ADS)

Zeug, Steven C.; Shervette, Virginia R.; Hoeinghaus, David J.; Davis, Stephen E., III

2007-02-01

Natural and created Spartina brackish marsh habitats in the Guadalupe Estuary, adjacent to the Aransas National Wildlife Refuge, Texas, USA were surveyed during spring, summer, and fall 2004 to evaluate the equivalence of nekton assemblages in an old (>30 years) created marsh. During each season, six replicate samples were collected in each marsh type using a 1-m 2 drop sampler. Multivariate analysis revealed significant differences in nekton assemblage structure among marsh type, both within and across seasons. Species richness was significantly higher in the natural marsh in spring and summer but not in fall. Several species that were dominant in the natural marsh but rare or absent in the created marsh had strong correlations with the presence of oyster substrate that was only encountered in natural marsh samples. Although cumulative richness was greater in the natural marsh, eight species were collected only from the created marsh. Shrimp and fish biomass was significantly higher in natural marsh. Analysis of the density, biomass and size structure of three commercially important crustaceans indicated that the created marsh supported similar biomass of some species (white shrimp, blue crab); however, the size structure of some populations was variable among marshes (blue crab, brown shrimp). We conclude that lower substrate complexity (specifically oyster) and soil organic content in the created marsh reduced measures of nekton similarity and recommend that these features be addressed in future restoration efforts.

Landscape structure affects specialists but not generalists in naturally fragmented grasslands

USGS Publications Warehouse

Miller, Jesse E.D.; Damschen, Ellen Ingman; Harrison, Susan P.; Grace, James B.

2015-01-01

Understanding how biotic communities respond to landscape spatial structure is critically important for conservation management as natural landscapes become increasingly fragmented. However, empirical studies of the effects of spatial structure on plant species richness have found inconsistent results, suggesting that more comprehensive approaches are needed. In this study, we asked how landscape structure affects total plant species richness and the richness of a guild of specialized plants in a multivariate context. We sampled herbaceous plant communities at 56 dolomite glades (insular, fire-adapted grasslands) across the Missouri Ozarks, and used structural equation modeling (SEM) to analyze the relative importance of landscape structure, soil resource availability, and fire history for plant communities. We found that landscape spatial structure-defined as the area-weighted proximity of glade habitat surrounding study sites (proximity index)-had a significant effect on total plant species richness, but only after we controlled for environmental covariates. Richness of specialist species, but not generalists, was positively related to landscape spatial structure. Our results highlight that local environmental filters must be considered to understand the influence of landscape structure on communities, and that unique species guilds may respond differently to landscape structure than the community as a whole. These findings suggest that both local environment and landscape context should be considered when developing management strategies for species of conservation concern in fragmented habitats.

Fish community structure in natural and engineered habitats in the Kansas River

USGS Publications Warehouse

White, K.; Gerken, J.; Paukert, Craig P.; Makinster, Andrew S.

2010-01-01

We investigated fish assemblage structure in engineered (rip-rap) and natural habitats (log jams and mud banks) in the Kansas River USA to determine if natural structures had higher abundance and diversity of fishes at a local spatial scale. A total of 439 randomly selected sites were boat electrofished from May to August 2005 and 2006. Mean species diversity and richness were significantly higher in rip-rap than log jams and mud banks. Mean relative abundance (CPUE; number of fish collected per hour electrofishing) of six of the 15 most common fishes (>1% of total catch) were most abundant in rip-rap, two were most abundant in log jams, and none in mud banks. Rip-rap had the highest relative abundance of fluvial specialist and macrohabitat generalists, whereas mean CPUE of fluvial dependents was highest in log jams. Although a discriminant function analysis indicated that nine size classes (eight species) discriminated among three habitat types, the high misclassification rate (38%) suggested a high degree of fish assemblage overlap among the habitats. Although previous work has suggested that engineered structures (rip-rap) and urbanization are linked to reduced biotic diversity or reduced growth of fish species, our results suggest that at a local scale rip-rap may not have the same negative impacts on fish assemblages.

Fish community structure in natural and engineered habitats in the Kansas river

USGS Publications Warehouse

White, K.; Gerken, J.; Paukert, C.; Makinster, A.

2010-01-01

We investigated fish assemblage structure in engineered (rip-rap) and natural habitats (log jams and mud banks) in the Kansas River USA to determine if natural structures had higher abundance and diversity of fishes at a local spatial scale. A total of 439 randomly selected sites were boat electrofished from May to August 2005 and 2006. Mean species diversity and richness were significantly higher in rip-rap than log jams and mud banks. Mean relative abundance (CPUE; number of fish collected per hour electrofishing) of six of the 15 most common fishes (>1% of total catch) were most abundant in rip-rap, two were most abundant in log jams, and none in mud banks. Rip-rap had the highest relative abundance of fluvial specialist and macrohabitat generalists, whereas mean CPUE of fluvial dependents was highest in log jams. Although a discriminant function analysis indicated that nine size classes (eight species) discriminated among three habitat types, the high misclassification rate (38%) suggested a high degree of fish assemblage overlap among the habitats. Although previous work has suggested that engineered structures (rip-rap) and urbanization are linked to reduced biotic diversity or reduced growth of fish species, our results suggest that at a local scale rip-rap may not have the same negative impacts on fish assemblages.

Structural defects in natural plastically deformed diamonds: Evidence from EPR spectroscopy

NASA Astrophysics Data System (ADS)

Mineeva, R. M.; Titkov, S. V.; Speransky, A. V.

2009-06-01

Structural defects formed as a result of plastic deformation in natural diamond crystals have been studied by EPR spectroscopy. The spectra of brown, pink-brown, black-brown, pink-purple, and gray plastically deformed diamonds of type Ia from deposits in Yakutia and the Urals were recorded. The results of EPR spectroscopy allowed us to identify various deformation centers in the structure of natural diamonds and to show that nitrogen centers were transformed under epigenetic mechanical loading. Abundant A centers, consisting of two isomorphic nitrogen atoms located in neighboring structural sites, were destroyed as a result of this process to form a series of N1, N4, W7, M2, and M3 nitrogen centers. Such centers are characterized by an anisotropic spatial distribution and a positive charge, related to the mechanism of their formation. In addition, N2 centers (probably, deformation-produced dislocations decorated by nitrogen) were formed in all plastically deformed diamonds and W10 and W35 centers (the models have not been finally ascertained) were formed in some of them. It has been established that diamonds with various types of deformation-induced color contain characteristic associations of these deformation centers. The diversity of associations of deformation centers indicates appreciable variations in conditions of disintegration of deep-seated rocks, transfer of diamonds to the Earth’s surface, and formation of kimberlitic deposits. Depending on the conditions of mechanical loading, the diamond crystals were plastically deformed by either dislocation gliding or mechanical twinning. Characteristic features of plastic deformation by dislocation gliding are the substantial prevalence of the N2 centers over other deformation centers and the occurrence of the high-spin W10 and W35 centers. The attributes of less frequent plastic deformation by mechanical twinning are unusual localization of the M2 centers and, in some cases, the N1 centers in microtwinned

Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond

NASA Astrophysics Data System (ADS)

Olivier, E. J.; Neethling, J. H.; Kroon, R. E.; Naidoo, S. R.; Allen, C. S.; Sawada, H.; van Aken, P. A.; Kirkland, A. I.

2018-03-01

In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond.

PubMed

Olivier, E J; Neethling, J H; Kroon, R E; Naidoo, S R; Allen, C S; Sawada, H; van Aken, P A; Kirkland, A I

2018-03-01

In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

Structural studies of naturally occurring toxicogenic compounds

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

Springer, J. P.

1977-10-01

The paralytic shellfish poison (PSP), saxitoxin, is a neurotoxin isolated from Alaska butter clams (Saxidomus giganteus), mussels (Mytilus californianus) and axenic cultures of the dinoflagellate Gonyaulax catenella. The structure of saxitoxin has been determined through the use of single crystal X-ray diffraction. It possesses a unique tricyclic arrangement of atoms containing two guanidinium moieties and also a hydrated ketone. The relative stereochemistry is presented as well as the absolute configuration. The chemical constitution of a tremorgenic metabolite, paxilline, isolated from extracts of the fungus Penicillium paxilli Bainier has been determined. Paxilline represents a previously unreported class of natural compounds formedmore » by the combination of tryptophan and mevalonate subunits. The complete stereostructure of two other fungal metabolites, paspaline and paspalicine, closely related to paxilline but isolated from Claviceps paspali Stammes have also been determined and are presented. The stereochemistries of paxilline, paspaline and paspalicine are identical at corresponding chiral centers.« less

Roles of dispersal, stochasticity, and nonlinear dynamics in the spatial structuring of seasonal natural enemy-victim populations

Treesearch

Patrick C. Tobin; Ottar N. Bjornstad

2005-01-01

Natural enemy-victim systems may exhibit a range of dynamic space-time patterns. We used a theoretical framework to study spatiotemporal structuring in a transient natural enemy-victim system subject to differential rates of dispersal, stochastic forcing, and nonlinear dynamics. Highly mobile natural enemies that attacked less mobile victims were locally spatially...

Capturing Nature's Diversity

PubMed Central

Pascolutti, Mauro; Campitelli, Marc; Nguyen, Bao; Pham, Ngoc; Gorse, Alain-Dominique; Quinn, Ronald J.

2015-01-01

Natural products are universally recognized to contribute valuable chemical diversity to the design of molecular screening libraries. The analysis undertaken in this work, provides a foundation for the generation of fragment screening libraries that capture the diverse range of molecular recognition building blocks embedded within natural products. Physicochemical properties were used to select fragment-sized natural products from a database of known natural products (Dictionary of Natural Products). PCA analysis was used to illustrate the positioning of the fragment subset within the property space of the non-fragment sized natural products in the dataset. Structural diversity was analysed by three distinct methods: atom function analysis, using pharmacophore fingerprints, atom type analysis, using radial fingerprints, and scaffold analysis. Small pharmacophore triplets, representing the range of chemical features present in natural products that are capable of engaging in molecular interactions with small, contiguous areas of protein binding surfaces, were analysed. We demonstrate that fragment-sized natural products capture more than half of the small pharmacophore triplet diversity observed in non fragment-sized natural product datasets. Atom type analysis using radial fingerprints was represented by a self-organizing map. We examined the structural diversity of non-flat fragment-sized natural product scaffolds, rich in sp3 configured centres. From these results we demonstrate that 2-ring fragment-sized natural products effectively balance the opposing characteristics of minimal complexity and broad structural diversity when compared to the larger, more complex fragment-like natural products. These naturally-derived fragments could be used as the starting point for the generation of a highly diverse library with the scope for further medicinal chemistry elaboration due to their minimal structural complexity. This study highlights the possibility to capture a

Comparison of wetland structural characteristics between created and natural salt marshes in southwest Louisiana, USA

USGS Publications Warehouse

Edwards, K.R.; Proffitt, C.E.

2003-01-01

The use of dredge material is a well-known technique for creating or restoring salt marshes that is expected to become more common along the Gulf of Mexico coast in the future. However, the effectiveness of this restoration method is still questioned. Wetland structural characteristics were compared between four created and three natural salt marshes in southwest Louisiana, USA. The created marshes, formed by the pumping of dredge material into formerly open water areas, represent a chronosequence, ranging in age from 3 to 19 years. Vegetation and soil structural factors were compared to determine whether the created marshes become more similar over time to the natural salt marshes. Vegetation surveys were conducted in 1997, 2000, and 2002 using the line-intercept technique. Site elevations were measured in 2000. Organic matter (OM) was measured in 1996 and 2002, while bulk density and soil particle-size distribution were determined in 2002 only. The natural marshes were dominated by Spartina alterniflora, as were the oldest created marshes; these marshes had the lowest mean site elevations ( 35 cm NGVD) and became dominated by high marsh (S. patens, Distichlis spicata) and shrub (Baccharis halimifolia, Iva frutescens) species. The higher elevation marsh seems to be following a different plant successional trajectory than the other marshes, indicating a relationship between marsh elevation and species composition. The soils in both the created and natural marshes contain high levels of clays (30-65 %), with sand comprising < 1 % of the soil distribution. OM was significantly greater and bulk density significantly lower in two of the natural marshes when compared to the created marshes. The oldest created marsh had significantly greater OM than the younger created marshes, but it may still take several decades before equivalency is reached with the natural marshes. Vegetation structural characteristics in the created marshes take only a few years to become similar

[Structure characteristics of natural nests and its implication to artificial nest frame design for Ciconia boyciana].

PubMed

Wei, Yi-qing; Cui, Guo-fa

2014-12-01

Artificial nest can improve the breeding success of birds in the field, and it has been proved to be more effective to endangered species. We surveyed the structure characteristics of natural nest and the status of the use of artificial nests for oriental white stork, Ciconia boyciana, in Honghe National Nature Reserve, Heilongjiang Province. Differences were investigated among the structure characteristics of the used and unused artificial nests, and natural nests based on one-way ANOVA. It was observed that significant differences in the diameter of nest branch, the vertical an- gle between nest branch, the height of the jointthe height of the nest above ground exited in different nest types. On account of the structure characteristics of the natural nests of C. boyciana, the suitable diameter of nest pillar for artificial nest frame should be 15.0-25.0 cm with the height of 5.0-12.0 m, which would be better if they were constructed by some acid-resistant materials, e.g., cement. The number of nest stands should be 3-4 individuals with the diameter of 9.0-12.0 cm, the vertical angle of 45 degrees-60 degrees, and the length of 90.0-140.0 cm.

Development of lamellar structures in natural waxes - an electron diffraction investigation

NASA Astrophysics Data System (ADS)

Dorset, Douglas L.

1999-06-01

When they are recrystallized from the melt, natural plant or insect waxes tend to form solid phases with a nematic-like structure (i.e. a parallel array of polymethylene chains with little or no aggregation of the molecules into distinct layers). An electron diffraction study of carnauba wax and two types of beeswax has shown that the degree of molecular organization into lamellar structures can be enhanced by annealing in the presence of benzoic acid, which also acts as an epitaxial substrate. Nevertheless, the resultant layer structure in the annealed solid is not the same as that found for paraffin wax fractions refined from petroleum. Probably because of a small but significant fraction of a very long chain ingredient, the lamellar separation is incomplete, incorporating a number of `bridging molecules' that span the nascent lamellar interface.The same phenomenon has been described recently for a low molecular weight polyethylene.

Strain partitioning and deformation mode analysis of the normal faults at Red Mountain, Birmingham, Alabama

NASA Astrophysics Data System (ADS)

Wu, Schuman

1989-12-01

In a low-temperature environment, the thin-section scale rock-deformation mode is primarily a function of confining pressure and total strain at geological strain rates. A deformation mode diagram is constructed from published experimental data by plotting the deformation mode on a graph of total strain versus the confining pressure. Four deformation modes are shown on the diagram: extensional fracturing, mesoscopic faulting, incipient faulting, and uniform flow. By determining the total strain and the deformation mode of a naturally deformed sample, the confining pressure and hence the depth at which the rock was deformed can be evaluated. The method is applied to normal faults exposed on the gently dipping southeast limb of the Birmingham anticlinorium in the Red Mountain expressway cut in Birmingham, Alabama. Samples of the Ordovician Chickamauga Limestone within and adjacent to the faults contain brittle structures, including mesoscopic faults and veins, and ductile deformation features including calcite twins, intergranular and transgranular pressure solution, and deformed burrows. During compaction, a vertical shortening of about 45 to 80% in shale is indicated by deformed burrows and relative compaction of shale to burrows, about 6% in limestone by stylolites. The normal faults formed after the Ordovician rocks were consolidated because the faults and associated veins truncate the deformed burrows and stylolites, which truncate the calcite cement. A total strain of 2.0% was caused by mesoscopic faults during normal faulting. A later homogenous deformation, indicated by the calcite twins in veins, cement and fossil fragments, has its major principal shortening strain in the dip direction at a low angle (about 22°) to bedding. The strain magnitude is about 2.6%. By locating the observed data on the deformation mode diagram, it is found that the normal faulting characterized by brittle deformation occurred under low confining pressure (< 18 MPa) at shallow

Bottomland Hardwoods of the Mississippi Alluvial Valley: Characteristics and Management of Natural Function, Structure, and Composition

Treesearch

Paul B. Hamel; Thomas L. Foti; [Editors

2001-01-01

A symposium entitled "Bottomland hardwoods of the Mississippi Alluvial Valley: characteristics and management of natural function, structure, and composition" convened on October 28, 1995, as part of the Natural Areas Conference, October 25-28, 1995, In Fayetteville, AR. The symposium's goal was to provide informatibn that managers need to begin...

Materials Handling and Structures 01.0302 for Agribusiness, Natural Resources, and Environmental Occupations.

ERIC Educational Resources Information Center

Finstad, Dennis; And Others

The document presents unit plans which offer lists of experiences and competencies to be learned in the area of materials handling and structuring for agribusiness, natural resources, and environmental occupations. The units include: (1) farmstead planning and reorganization; (2) site preparation (contour, terraces, waterways; land measurements…

The Warming Hiatus, Natural Variability and Thermal Ocean Structure

NASA Astrophysics Data System (ADS)

Groth, A.; Moron, V.; Robertson, A. W.; Kondrashov, D. A.; Ghil, M.

2015-12-01

Long before the recent concern with the warming hiatus, Ghil and Vautard (1991, Nature) stated at the end of their abstract that "The oscillatory components [in global temperature time series] have combined (peak-to-peak) amplitudes of 0.2°C, and therefore limit our ability to predict whether the inferred secular warming of 0.005°C/yr will continue." Present capabilities of the advanced spectral methods introduced into the global warming problem by that paper permit us now to consider oscillatory aspects of natural variability in much greater detail. In a multivariate analysis of the upper-ocean thermal structure, we examine properties of the recent long-term changes and of the naturally occurring global-climate fluctuations on interannual-to-interdecadal time scales. M. Ghil and associates (Ghil and Vautard 1991; Plaut et al. 1995, Science; Ghil et al. 2002, Rev. Geophys.), among others, have argued that this natural variability has some regularity embedded into it. Although the existence of such regularity on the interannual time scale is fairly well established by now, evidence for similar regularity on decadal and interdecadal time scales is more difficult to establish, due to the shortness of instrumental temperature data. To identify spatio-temporal patterns, we rely on the method of multichannel singular spectrum analysis [M-SSA; see Ghil et al. (2002) for a review] and on its recent improvements that help separate distinct patterns (Groth and Ghil 2011, Phys. Rev. E; Groth and Ghil 2015, J. Climate). Results on the temperature field from the Simple Ocean Data Assimilation (SODA) reanalysis (Carton and Giese 2008, Mon. Wea. Rev.; Giese and Ray 2011, J. Geophys. Res.) will be shown and contrasted with results on the HadCRUT surface temperature dataset (Morice et al. 2012, J. Geophys. Res.). We will focus, in particular, on the robustness of the geographical distribution of long-term changes in both data sets and discuss the significance of superimposed

Structures and Mechanical Properties of Natural and Synthetic Diamonds. Chapter 8

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1998-01-01

A revolution in diamond technology is in progress as the low-pressure process becomes an industrial reality. It will soon be possible to take advantage of the demanding properties of diamond to develop a myriad of new applications, particularly for self-lubricating, wear, and superhard coatings. The production of large diamond films or sheets at low cost, a distinct possibility in the not-too-distant future, may drastically change tribology technology, particularly solid lubricants and lubricating materials and systems. This chapter reviews the structures and properties of natural and synthetic diamond to gain a better understanding of the tribological properties of diamond and related materials to be described in the following chapters. Atomic and crystal structure, impurities, mechanical properties, and indentation hardness of diamond are described.

Synthesis of four diastereomers of sclerophytin F and structural reassignment of several sclerophytin natural products.

PubMed

Clark, J Stephen; Delion, Laëtitia; Farrugia, Louis J

2015-03-16

Synthesis of the triol that has been proposed to be the marine natural product sclerophytin F has been completed along with the syntheses of three diastereomers. Comparison of the NMR spectroscopic data for all four compounds to the data reported for the natural product reveals that sclerophytin F is not the 3S diastereomer of sclerophytin A as proposed by Friedrich and Paquette. Re-analysis of the NMR spectroscopic data for known sclerophytin natural products and synthetic analogues leads to the conclusion that sclerophytins E and F are the same compound. This finding has allowed structural reassignment of several other cladiellin natural products. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Natural and Synthetic Biohydrogels Design, Characterization, Network Structure Imaging and Modeling

NASA Astrophysics Data System (ADS)

Marmorat, Clement

Biocompatible hydrogels can be derived from materials that are naturally obtained, such as proteins or polysaccharides, or synthetic, such as poloxamers. In order to be classified as biocompatible, these water-swollen networks can not trigger a toxic response once introduced into a biological or physiological environment and, therefore, must be immunoneutral. Hyaluronic acid hydrogels can be great candidates for tissue engineering applications as long as the cross-linking chemistry and process does not affect the biocompatibility of the natural protein matrix. Thermoreversible hydrogels have the advantage of undergoing a sol/gel phase transition at specific temperatures. Thus, they are excellent candidates for biomedical applications such as drug delivery systems, wound healing coatings or cellular scaffolds. Although these hydrogels can be used in their natural form without further modification or chemical alteration, the original protein or polymer matrix is often strengthened by the use of a crosslinking agent to achieve a specific set of properties. In the case of gelatin fibril formation at low temperatures or the micellization of triblock copolymers in solution with temperature increase, the natural phase transition is modified when crosslinkers are introduced to alter the biohydrogels properties and, ultimately, disturb the system's equilibrium. By using spectroscopy techniques, rheology and cryo-imaging we investigated several biocompatible polymeric networks in their natural form as well as their engineered structures to better understand the mechanisms of gelation and artificial internal re-organization of the networks. Natural and synthetic biohydrogels were designed and their mechanical properties were characterized before imaging. Models that better describe the relationship between network configuration and resulting mechanical properties showed great agreement with experimental mesh size observations. Finally, a novel set of hybrid gels was developed

Nature's palette: the search for natural blue colorants.

PubMed

Newsome, Andrew G; Culver, Catherine A; van Breemen, Richard B

2014-07-16

The food and beverage industry is seeking to broaden the palette of naturally derived colorants. Although considerable effort has been devoted to the search for new blue colorants in fruits and vegetables, less attention has been directed toward blue compounds from other sources such as bacteria and fungi. The current work reviews known organic blue compounds from natural plant, animal, fungal, and microbial sources. The scarcity of blue-colored metabolites in the natural world relative to metabolites of other colors is discussed, and structural trends common among natural blue compounds are identified. These compounds are grouped into seven structural classes and evaluated for their potential as new color additives.

Rational selection of structurally diverse natural product scaffolds with favorable ADME properties for drug discovery.

PubMed

Samiulla, D S; Vaidyanathan, V V; Arun, P C; Balan, G; Blaze, M; Bondre, S; Chandrasekhar, G; Gadakh, A; Kumar, R; Kharvi, G; Kim, H O; Kumar, S; Malikayil, J A; Moger, M; Mone, M K; Nagarjuna, P; Ogbu, C; Pendhalkar, D; Rao, A V S Raja; Rao, G Venkateshwar; Sarma, V K; Shaik, S; Sharma, G V R; Singh, S; Sreedhar, C; Sonawane, R; Timmanna, U; Hardy, L W

2005-01-01

Natural product analogs are significant sources for therapeutic agents. To capitalize efficiently on the effective features of naturally occurring substances, a natural product-based library production platform has been devised at Aurigene for drug lead discovery. This approach combines the attractive biological and physicochemical properties of natural product scaffolds, provided by eons of natural selection, with the chemical diversity available from parallel synthetic methods. Virtual property analysis, using computational methods described here, guides the selection of a set of natural product scaffolds that are both structurally diverse and likely to have favorable pharmacokinetic properties. The experimental characterization of several in vitro ADME properties of twenty of these scaffolds, and of a small set of designed congeners based upon one scaffold, is also described. These data confirm that most of the scaffolds and the designed library members have properties favorable to their utilization for creating libraries of lead-like molecules.

The effect of natural and synthetic fatty acids on membrane structure, microdomain organization, cellular functions and human health.

PubMed

Ibarguren, Maitane; López, David J; Escribá, Pablo V

2014-06-01

This review deals with the effects of synthetic and natural fatty acids on the biophysical properties of membranes, and on their implication on cell function. Natural fatty acids are constituents of more complex lipids, like triacylglycerides or phospholipids, which are used by cells to store and obtain energy, as well as for structural purposes. Accordingly, natural and synthetic fatty acids may modify the structure of the lipid membrane, altering its microdomain organization and other physical properties, and provoking changes in cell signaling. Therefore, by modulating fatty acids it is possible to regulate the structure of the membrane, influencing the cell processes that are reliant on this structure and potentially reverting pathological cell dysfunctions that may provoke cancer, diabetes, hypertension, Alzheimer's and Parkinson's disease. The so-called Membrane Lipid Therapy offers a strategy to regulate the membrane composition through drug administration, potentially reverting pathological processes by re-adapting cell membrane structure. Certain fatty acids and their synthetic derivatives are described here that may potentially be used in such therapies, where the cell membrane itself can be considered as a target to combat disease. This article is part of a Special Issue entitled: Membrane Structure and Function: Relevance in the Cell's Physiology, Pathology and Therapy. Copyright © 2013 Elsevier B.V. All rights reserved.

Binocular contrast-gain control for natural scenes: Image structure and phase alignment.

PubMed

Huang, Pi-Chun; Dai, Yu-Ming

2018-05-01

In the context of natural scenes, we applied the pattern-masking paradigm to investigate how image structure and phase alignment affect contrast-gain control in binocular vision. We measured the discrimination thresholds of bandpass-filtered natural-scene images (targets) under various types of pedestals. Our first experiment had four pedestal types: bandpass-filtered pedestals, unfiltered pedestals, notch-filtered pedestals (which enabled removal of the spatial frequency), and misaligned pedestals (which involved rotation of unfiltered pedestals). Our second experiment featured six types of pedestals: bandpass-filtered, unfiltered, and notch-filtered pedestals, and the corresponding phase-scrambled pedestals. The thresholds were compared for monocular, binocular, and dichoptic viewing configurations. The bandpass-filtered pedestal and unfiltered pedestals showed classic dipper shapes; the dipper shapes of the notch-filtered, misaligned, and phase-scrambled pedestals were weak. We adopted a two-stage binocular contrast-gain control model to describe our results. We deduced that the phase-alignment information influenced the contrast-gain control mechanism before the binocular summation stage and that the phase-alignment information and structural misalignment information caused relatively strong divisive inhibition in the monocular and interocular suppression stages. When the pedestals were phase-scrambled, the elimination of the interocular suppression processing was the most convincing explanation of the results. Thus, our results indicated that both phase-alignment information and similar image structures cause strong interocular suppression. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structure and genetic diversity of natural Brazilian pepper populations (Schinus terebinthifolius Raddi).

PubMed

Álvares-Carvalho, S V; Duarte, J F; Santos, T C; Santos, R M; Silva-Mann, R; Carvalho, D

2016-06-17

In the face of a possible loss of genetic diversity in plants due the environmental changes, actions to ensure the genetic variability are an urgent necessity. The extraction of Brazilian pepper fruits is a cause of concern because it results in the lack of seeds in soil, hindering its distribution in space and time. It is important to address this concern and explore the species, used by riparian communities and agro-factories without considering the need for keeping the seeds for natural seed banks and for species sustainability. The objective of this study was to evaluate the structure and the genetic diversity in natural Brazilian pepper populations (Schinus terebinthifolius Raddi). Twenty-two alleles in 223 individuals were identified from eight forest remnants located in the states of Minas Gerais, Espírito Santo, and Sergipe. All populations presented loci in Hardy-Weinberg equilibrium deviation. Four populations presented six combinations of loci in linkage disequilibrium. Six exclusive alleles were detected in four populations. Analysis of molecular variance showed the absence of diversity between regions and that between the populations (GST) was 41%. Genetic diversity was structured in seven clusters (ΔK7). Brazilian pepper populations were not structured in a pattern of isolation by distance and present genetic bottleneck. The populations São Mateus, Canastra, Barbacena, and Ilha das Flores were identified as management units and may support conservation projects, ecological restoration and in implementation of management plans for Brazilian pepper in the State of Sergipe.

A Logico-Structural, Worldview Analysis of the Interrelationship between Science Interest, Gender, and Concept of Nature.

ERIC Educational Resources Information Center

Cobern, William W.; And Others

The purpose of this research was to provide information about gender-related worldview structures, among college students, that can inform the instructional decision making process. Information was generated in a logico-structural investigation of the interrelationship of gender, interest in science, and concept of nature. The strength of the…

Flying between sky islands: the effect of naturally fragmented habitat on butterfly population structure.

PubMed

Sekar, Sandhya; Karanth, Praveen

2013-01-01

High elevation montane areas are called "sky islands" when they occur as a series of high mountains separated by lowland valleys. Different climatic conditions at high elevations makes sky islands a specialized type of habitat, rendering them naturally fragmented compared to more continuous habitat at lower elevations. Species in sky islands face unsuitable climate in the intervening valleys when moving from one montane area to another. The high elevation shola-grassland mosaic in the Western Ghats of southern India form one such sky island complex. The fragmented patches make this area ideal to study the effect of the spatial orientation of suitable habitat patches on population genetic structure of species found in these areas. Past studies have suggested that sky islands tend to have genetically structured populations, possibly due to reduced gene flow between montane areas. To test this hypothesis, we adopted the comparative approach. Using Amplified Fragment Length Polymorphisms, we compared population genetic structures of two closely related, similar sized butterfly species: Heteropsis oculus, a high elevation shola-grassland specialist restricted to the southern Western Ghats, and Mycalesis patnia, found more continuously distributed in lower elevations. In all analyses, as per expectation the sky island specialist H. oculus exhibited a greater degree of population genetic structure than M. patnia, implying a difference in geneflow. This difference in geneflow in turn appears to be due to the natural fragmentation of the sky island complexes. Detailed analysis of a subset of H. oculus samples from one sky island complex (the Anamalais) showed a surprising genetic break. A possible reason for this break could be unsuitable conditions of higher temperature and lower rainfall in the intervening valley region. Thus, sky island species are not only restricted by lack of habitat continuity between montane areas, but also by the nature of the intervening habitat.

Population structure and genetic diversity in natural populations of Theobroma speciosum Willd. Ex Spreng (Malvaceae).

PubMed

Giustina, L D; Luz, L N; Vieira, F S; Rossi, F S; Soares-Lopes, C R A; Pereira, T N S; Rossi, A A B

2014-02-14

The genus Theobroma found in the Amazon region is composed of 22 species, including Theobroma speciosum, better known as cacauí. These species are constantly threatened by forest fragmentation caused by human activities and require conservation strategies and management aimed at preserving them in their natural environments. The main objective of this study was to analyze the population structure and genetic diversity within and between natural populations of T. speciosum by using ISSR molecular markers to understand the population structure of the species. Four natural populations belonging to the Amazon rainforest (BAC, CRO, FLA, and PNA), located in the State of Mato Grosso, were selected. Amplification reactions were performed using 15 ISSR primers. A total of 101 loci were found, of which 54.46% were polymorphic at the species level. The BAC population showed higher genetic diversity (H=0.095 and I=0.144) and higher percentage of polymorphism (28.71%). The populations showed an FST value of 0.604, indicating marked genetic differentiation. The highest genetic variation was found between populations. Gene flow was low between populations, indicating genetic isolation between populations.

Estimation of the Lithospheric Component Share in the Earth Natural Pulsed Electromagnetic Field Structure

NASA Astrophysics Data System (ADS)

Malyshkov, S. Y.; Gordeev, V. F.; Polyvach, V. I.; Shtalin, S. G.; Pustovalov, K. N.

2017-04-01

Article describes the results of the atmosphere and Earth’s crust climatic and ecological parameters integrated monitoring. The estimation is made for lithospheric component share in the Earth natural pulsed electromagnetic field structure. To estimate lithospheric component we performed a round-the-clock monitoring of the Earth natural pulsed electromagnetic field background variations at the experiment location and measured the Earth natural pulsed electromagnetic field under electric shields. Natural materials in a natural environment were used for shielding, specifically lakes with varying parameters of water conductivity. Skin effect was used in the experiment - it is the tendency of electromagnetic waves amplitude to decrease with greater depths in the conductor. Atmospheric and lithospheric component the Earth natural pulsed electromagnetic field data recorded on terrain was compared against the recorded data with atmosphere component decayed by an electric shield. In summary we have demonstrated in the experiment that thunderstorm discharge originating electromagnetic field decay corresponds to the decay calculated using Maxwell equations. In the absence of close lightning strikes the ratio of field intensity recorded on terrain to shielded field intensity is inconsistent with the ratio calculated for atmospheric sources, that confirms there is a lithospheric component present to the Earth natural pulsed electromagnetic field.

Scale-dependent variation in forest structures in naturally dynamic boreal forest landscapes

NASA Astrophysics Data System (ADS)

Kulha, Niko; Pasanen, Leena; De Grandpré, Louis; Kuuluvainen, Timo; Aakala, Tuomas

2017-04-01

Natural forest structures vary at multiple spatial scales. This variation reflects the occurrence of driving factors, such as disturbances and variation in soil or topography. To explore and understand the linkages of forest structural characteristics and factors driving their variation, we need to recognize how the structural characteristics vary in relation to spatial scale. This can be achieved by identifying scale-dependent features in forest structure within unmanaged forest landscapes. By identifying these features and examining their relationship with potential driving factors, we can better understand the dynamics of forest structural development. Here, we examine the spatial variation in forest structures at multiple spatial scales, utilizing data from old-growth boreal forests in two regions with contrasting disturbance regimes: northern Finland and north-eastern Québec, Canada ( 67° 45'N, 29° 36'E, 49° 39'N, 67° 55'W, respectively). The three landscapes (4 km2 each) in Finland are dominated by Pinus sylvestris and Picea abies, whereas the two landscapes in Québec are dominated by Abies balsamea and Picea mariana. Québec's forests are a subject to cyclic outbreaks of the eastern spruce budworm, causing extensive mortality especially in A. balsamea-dominated stands. In the Finnish landscapes, gap- to patch-scale disturbances due to tree senescence, fungi and wind, as well as infrequent surface fires in areas dominated by P. sylvestris, prevail. Owing to the differences in the species compositions and the disturbance regimes, we expect differing scales of variation between the landscapes. To quantify patterns of variation, we visually interpret stereopairs of recent aerial photographs. From the photographs, we collect information on forest canopy coverage, species composition and dead wood. For the interpretation, each 4 km2 plot is divided into 0.1ha square cells (4096 per plot). Interpretations are validated against field observations and compiled

Monitoring structural breaks in vegetation dynamics of the nature reserve Königsbrücker Heide

NASA Astrophysics Data System (ADS)

Wessollek, Christine; Karrasch, Pierre

2017-10-01

Nowadays remote sensing is a well-established method and technique of providing data. The current development shows the availability of systems with very high geometric resolution for the monitoring of vegetation. At the same time, however, the value of temporally high-resolution data is underestimated, particularly in applications focusing on the detection of short-term changes. These can be natural processes like natural disasters as well as changes caused by anthropogenic interventions. These include economic activities such as forestry, agriculture or mining but also processes which are intended to convert previously used areas into natural or near-natural surfaces. The K¨onigsbr¨ucker Heide is a former military training site located about 30 km north of the Saxon state capitol Dresden. After the withdrawal of the Soviet forces in 1992 and after nearly 100 years of military use this site was declared as nature reserve in 1996. The management of the whole protection area is implemented in three different management zone. Based on MODIS-NDVI time series between 2000 and 2016 different developments are apparent in the nature development zone and the zone of controlled succession. Nevertheless, the analyses also show that short-term changes, so called breaks in the vegetation development cannot be described using linear trend models. The complete understanding of vegetation trends is only given if discontinuities in vegetation development are considered. Structural breaks in the NDVI time series can be found simultaneously in the whole study area. Hence it can be assumed that these breaks have a more natural character, caused for example by climatic conditions like temperature or precipitation. Otherwise, especially in the zone of controlled succession structural breaks can be detected which cannot be traced back to natural conditions. Final analyses of the spatial distribution of breakpoints as well as their frequency depending on the respective protection zone

Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis.

PubMed

Wong, Fong T; Hotta, Kinya; Chen, Xi; Fang, Minyi; Watanabe, Kenji; Kim, Chu-Young

2015-01-14

Biosynthesis of some polyether natural products involves a kinetically disfavored epoxide-opening cyclic ether formation, a reaction termed anti-Baldwin cyclization. One such example is the biosynthesis of lasalocid A, an ionophore antibiotic polyether. During lasalocid A biosynthesis, an epoxide hydrolase, Lsd19, converts the bisepoxy polyketide intermediate into the tetrahydrofuranyl-tetrahydropyran product. We report the crystal structure of Lsd19 in complex with lasalocid A. The structure unambiguously shows that the C-terminal domain of Lsd19 catalyzes the intriguing anti-Baldwin cyclization. We propose a general mechanism for epoxide selection by ionophore polyether epoxide hydrolases.

Structure-guided statistical textural distinctiveness for salient region detection in natural images.

PubMed

Scharfenberger, Christian; Wong, Alexander; Clausi, David A

2015-01-01

We propose a simple yet effective structure-guided statistical textural distinctiveness approach to salient region detection. Our method uses a multilayer approach to analyze the structural and textural characteristics of natural images as important features for salient region detection from a scale point of view. To represent the structural characteristics, we abstract the image using structured image elements and extract rotational-invariant neighborhood-based textural representations to characterize each element by an individual texture pattern. We then learn a set of representative texture atoms for sparse texture modeling and construct a statistical textural distinctiveness matrix to determine the distinctiveness between all representative texture atom pairs in each layer. Finally, we determine saliency maps for each layer based on the occurrence probability of the texture atoms and their respective statistical textural distinctiveness and fuse them to compute a final saliency map. Experimental results using four public data sets and a variety of performance evaluation metrics show that our approach provides promising results when compared with existing salient region detection approaches.

Specificity in the interaction of natural products with their target proteins--a biochemical and structural insight.

PubMed

Venkatraman, Prasanna

2010-06-01

Natural products are an abundant source of anti cancer agents. They act as cytotoxic drugs, and inhibitors of apoptosis, transcription, cell proliferation and angiogenesis. While pathways targeted by natural products have been well studied, there is paucity of information about the in vivo molecular target/s of these compounds. This review summarizes some of the natural compounds for which the molecular targets, mechanism of action and structural basis of specificity have been well documented. These examples illustrate that 'off target' binding can be explained on the basis of diversity inherent to biomolecular interactions. There is enough evidence to suggest that natural compounds are potent and versatile warheads that can be optimized for a multi targeted therapeutic intervention in cancer.

Structural Damage Detection Using Changes in Natural Frequencies: Theory and Applications

NASA Astrophysics Data System (ADS)

He, K.; Zhu, W. D.

2011-07-01

A vibration-based method that uses changes in natural frequencies of a structure to detect damage has advantages over conventional nondestructive tests in detecting various types of damage, including loosening of bolted joints, using minimum measurement data. Two major challenges associated with applications of the vibration-based damage detection method to engineering structures are addressed: accurate modeling of structures and the development of a robust inverse algorithm to detect damage, which are defined as the forward and inverse problems, respectively. To resolve the forward problem, new physics-based finite element modeling techniques are developed for fillets in thin-walled beams and for bolted joints, so that complex structures can be accurately modeled with a reasonable model size. To resolve the inverse problem, a logistical function transformation is introduced to convert the constrained optimization problem to an unconstrained one, and a robust iterative algorithm using a trust-region method, called the Levenberg-Marquardt method, is developed to accurately detect the locations and extent of damage. The new methodology can ensure global convergence of the iterative algorithm in solving under-determined system equations and deal with damage detection problems with relatively large modeling error and measurement noise. The vibration-based damage detection method is applied to various structures including lightning masts, a space frame structure and one of its components, and a pipeline. The exact locations and extent of damage can be detected in the numerical simulation where there is no modeling error and measurement noise. The locations and extent of damage can be successfully detected in experimental damage detection.

Stereodivergent Synthesis of 1,3-Syn-Polyol Natural Product for Stereochemical-Based Structure Activity Relationship Studies

NASA Astrophysics Data System (ADS)

Zheng, Jiamin

The 1,3-syn-diol functionality is very common in many natural products. An important class containing this moiety are the 1,3-syn-polyol/pyranone natural products, which have been isolated from a variety of plant sources, and possess biological activities like plant growth inhibition as well as antifeedant, antifungal, antibacterial, and antitumor properties. The feature of this class is a 6-membered lactone where the lactoe oxygen is part of a 1,3-syn-diol motif. To pursue the 1,3-syn-polyol/pyranone natural products, an iterative hydration of polyene strategy was utilized to provide the 1,3- syn-diol functionality, and asymmetric synthetic strategies were explored to form the requisite stereochemistry. The versatility of the asymmetric approach was demonstrated in the synthesis of eupatorium pyranone and also in an ongoing project aimed at the synthesis of SIA7248. As an outgrowth of our work on the total syntheses of 1,3-syn -polyol natural products inspired a stereo-divergent synthesis of 1,3-syn-polyol natural products and their analogs for stereochemical-based structure-activity relationship (SSAR) studies. To identify the key structural factors important for the anticancer activity of the 1,3-syn-polyol/pyranones, a stereo-divergent 16-member library of pyranone/polyol congeners was designed, synthesized and tested with variations in both stereochemistry and numbers of polyol repeat units. Having access to stereochemical isomers of the biologically active natural products allowed us to design experiments that help illustrate their mechanisms of action.

Experimental alteration of artificial and natural impact melt rock from the Chesapeake Bay impact structure

USGS Publications Warehouse

Declercq, J.; Dypvik, H.; Aagaard, Per; Jahren, J.; Ferrell, R.E.; Horton, J. Wright

2009-01-01

The alteration or transformation of impact melt rock to clay minerals, particularly smectite, has been recognized in several impact structures (e.g., Ries, Chicxulub, Mj??lnir). We studied the experimental alteration of two natural impact melt rocks from suevite clasts that were recovered from drill cores into the Chesapeake Bay impact structure and two synthetic glasses. These experiments were conducted at hydrothermal temperature (265 ??C) in order to reproduce conditions found in meltbearing deposits in the first thousand years after deposition. The experimental results were compared to geochemical modeling (PHREEQC) of the same alteration and to original mineral assemblages in the natural melt rock samples. In the alteration experiments, clay minerals formed on the surfaces of the melt particles and as fine-grained suspended material. Authigenic expanding clay minerals (saponite and Ca-smectite) and vermiculite/chlorite (clinochlore) were identified in addition to analcime. Ferripyrophyllite was formed in three of four experiments. Comparable minerals were predicted in the PHREEQC modeling. A comparison between the phases formed in our experiments and those in the cores suggests that the natural alteration occurred under hydrothermal conditions similar to those reproduced in the experiment. ?? 2009 The Geological Society of America.

Structure and genetic diversity of natural populations of Morus alba in the trans-Himalayan Ladakh region.

PubMed

Bajpai, Prabodh K; Warghat, Ashish R; Sharma, Ram Kumar; Yadav, Ashish; Thakur, Anil K; Srivastava, Ravi B; Stobdan, Tsering

2014-04-01

Sequence-related amplified polymorphism markers were used to assess the genetic structure in three natural populations of Morus alba from trans-Himalaya. Multilocation sampling was conducted across 14 collection sites. The overall genetic diversity estimates were high: percentage polymorphic loci 89.66%, Nei's gene diversity 0.2286, and Shannon's information index 0.2175. At a regional level, partitioning of variability assessed using analysis of molecular variance (AMOVA), revealed 80% variation within and 20% among collection sites. Pattern appeared in STRUCTURE, BARRIER, and AMOVA, clearly demonstrating gene flow between the Indus and Suru populations and a geographic barrier between the Indus-Suru and Nubra populations, which effectively hinders gene flow. The results showed significant genetic differentiation, population structure, high to restricted gene flow, and high genetic diversity. The assumption that samples collected from the three valleys represent three different populations does not hold true. The fragmentation present in trans-Himalaya was more natural and less anthropogenic.

Flow structure of natural dehumidification over a horizontal finned-tube

NASA Astrophysics Data System (ADS)

Hirbodi, Kamran; Yaghoubi, Mahmood

2016-08-01

In the present study, structure of water drops formation, growth, coalescence and departure over a horizontal finned-tube during natural dehumidification is investigated experimentally. Starting time of repelling the drops as well as heat transfer rate and the rate of dripping condensates in quasi-steady-state conditions are presented. Furthermore, cold airflow pattern around the horizontal finned-tube is visualized by using smoke generation scheme during natural dehumidification process. The finned-tube has a length of 300 mm, and inner and outer fin diameters, fin thickness and fin spacing are 25.4, 56, 0.4 and 2 mm, respectively. The tests are conducted in an insulated control room with dimensions of 5.8 m × 3 m × 4 m. Ambient air temperature, relative humidity and fin base temperature are selected from 25 to 35 °C, from 40 to 70 % and from 4 to 8 °C, respectively. Observations show that natural condensation from humid air over the test case is completely dropwise. Droplets only form on the edge of the fin and lateral fin surfaces remain almost dry. Dehumidification process over the tested finned-tube is divided into four stages; nucleation, formation, growth and departure of drops. It is also observed that the condensate inundation leaves the tube bottom in the form of droplets. Smoke visualization depicts that humid airflows downward around the cold finned-tube surface without noticeable turbulence and separation in the initial stages of dehumidification process. But the airflow has some disturbances in the intermediate stage and especially during drop departure on the edge of the fins.

Structure and needs of global loss databases about natural disaster

NASA Astrophysics Data System (ADS)

Steuer, Markus

2010-05-01

Global loss databases are used for trend analyses and statistics in scientific projects, studies for governmental and nongovernmental organizations and for the insurance and finance industry as well. At the moment three global data sets are established: EM-DAT (CRED), Sigma (Swiss Re) and NatCatSERVICE (Munich Re). Together with the Asian Disaster Reduction Center (ADRC) and United Nations Development Program (UNDP) started a collaborative initiative in 2007 with the aim to agreed on and implemented a common "Disaster Category Classification and Peril Terminology for Operational Databases". This common classification has been established through several technical meetings and working groups and represents a first and important step in the development of a standardized international classification of disasters and terminology of perils. This means concrete to set up a common hierarchy and terminology for all global and regional databases on natural disasters and establish a common and agreed definition of disaster groups, main types and sub-types of events. Also the theme of georeferencing, temporal aspects, methodology and sourcing were other issues that have been identified and will be discussed. The implementation of the new and defined structure for global loss databases is already set up for Munich Re NatCatSERVICE. In the following oral session we will show the structure of the global databases as defined and in addition to give more transparency of the data sets behind published statistics and analyses. The special focus will be on the catastrophe classification from a moderate loss event up to a great natural catastrophe, also to show the quality of sources and give inside information about the assessment of overall and insured losses. Keywords: disaster category classification, peril terminology, overall and insured losses, definition

Oil-structuring characterization of natural waxes in canola oil oleogels: Rheological, thermal, and oxidative properties

USDA-ARS?s Scientific Manuscript database

Natural waxes (candelilla wax, carnauba wax, and beeswax) were utilized as canola oil structurants to produce oleogels and their physicochemical properties were evaluated from rheological, thermal, and oxidative points of view. The oleogels with candelilla wax exhibited the highest hardness, followe...

Simplified Model to Predict Deflection and Natural Frequency of Steel Pole Structures

NASA Astrophysics Data System (ADS)

Balagopal, R.; Prasad Rao, N.; Rokade, R. P.

2018-04-01

Steel pole structures are suitable alternate to transmission line towers, due to difficulty encountered in finding land for the new right of way for installation of new lattice towers. The steel poles have tapered cross section and they are generally used for communication, power transmission and lighting purposes. Determination of deflection of steel pole is important to decide its functionality requirement. The excessive deflection of pole may affect the signal attenuation and short circuiting problems in communication/transmission poles. In this paper, a simplified method is proposed to determine both primary and secondary deflection based on dummy unit load/moment method. The predicted deflection from proposed method is validated with full scale experimental investigation conducted on 8 m and 30 m high lighting mast, 132 and 400 kV transmission pole and found to be in close agreement with each other. Determination of natural frequency is an important criterion to examine its dynamic sensitivity. A simplified semi-empirical method using the static deflection from the proposed method is formulated to determine its natural frequency. The natural frequency predicted from proposed method is validated with FE analysis results. Further the predicted results are validated with experimental results available in literature.

Electrical, structural and thermal studies of carbon nanotubes from natural legume seeds: kala chana

NASA Astrophysics Data System (ADS)

Ranu, Rachana; Chauhan, Yatishwar; Singh, Pramod K.; Bhattacharya, B.; Tomar, S. K.

2016-12-01

Carbon nanotubes (CNTs) are the carbon materials measured at nanoscale level and they are defined in two types according to the number of concentric layers, i.e. single-layer tube is single-walled nanotubes, while multi-layer tube structure is called multi-walled nanotubes. The green method synthesis for the preparation of CNTs begins with the smashing of legume seeds kala chana, and then they form complex with cobalt salt. Desiccation of the complex compound forms cobalt salt and seed protein. The complex is then decomposed at 625 °C in muffle furnace for 20 min. Purification of the decomposed sample is done through acid wash treatment and dried in vacuum oven. The confirmations of CNTs are done by nuclear magnetic resonance and Fourier transform infrared, which analyzes the denatured protein, reacted to the metal salt. X-Ray diffraction determines the MWNTs with transmission electron microscope (TEM) reports the network structure of CNTs. thermal gravimetric analysis (TGA)-differential thermal analysis (DTA)-thermogravimetric analysis (DTG) tests the amount of sample under thermal treatment. Vibrating sample magnetometer determines the paramagnetic nature of CNTs. CNTs thus prepared can be used in mechanical fields, in solar cells, in electronics fields, etc. because of their multidisciplinary properties. The synthesized CNTs are eco-friendly in nature, prepared by the legume seed natural precursor.

Natural Allelic Diversity, Genetic Structure and Linkage Disequilibrium Pattern in Wild Chickpea

PubMed Central

Kujur, Alice; Das, Shouvik; Badoni, Saurabh; Kumar, Vinod; Singh, Mohar; Bansal, Kailash C.; Tyagi, Akhilesh K.; Parida, Swarup K.

2014-01-01

Characterization of natural allelic diversity and understanding the genetic structure and linkage disequilibrium (LD) pattern in wild germplasm accessions by large-scale genotyping of informative microsatellite and single nucleotide polymorphism (SNP) markers is requisite to facilitate chickpea genetic improvement. Large-scale validation and high-throughput genotyping of genome-wide physically mapped 478 genic and genomic microsatellite markers and 380 transcription factor gene-derived SNP markers using gel-based assay, fluorescent dye-labelled automated fragment analyser and matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass array have been performed. Outcome revealed their high genotyping success rate (97.5%) and existence of a high level of natural allelic diversity among 94 wild and cultivated Cicer accessions. High intra- and inter-specific polymorphic potential and wider molecular diversity (11–94%) along with a broader genetic base (13–78%) specifically in the functional genic regions of wild accessions was assayed by mapped markers. It suggested their utility in monitoring introgression and transferring target trait-specific genomic (gene) regions from wild to cultivated gene pool for the genetic enhancement. Distinct species/gene pool-wise differentiation, admixed domestication pattern, and differential genome-wide recombination and LD estimates/decay observed in a six structured population of wild and cultivated accessions using mapped markers further signifies their usefulness in chickpea genetics, genomics and breeding. PMID:25222488

Sulfate-reducing bacteria inhabiting natural corrosion deposits from marine steel structures.

PubMed

Païssé, Sandrine; Ghiglione, Jean-François; Marty, Florence; Abbas, Ben; Gueuné, Hervé; Amaya, José Maria Sanchez; Muyzer, Gerard; Quillet, Laurent

2013-08-01

In the present study, investigations were conducted on natural corrosion deposits to better understand the role of sulfate-reducing bacteria (SRB) in the accelerated corrosion process of carbon steel sheet piles in port environments. We describe the abundance and diversity of total and metabolically active SRB within five natural corrosion deposits located within tidal or low water zone and showing either normal or accelerated corrosion. By using molecular techniques, such as quantitative real-time polymerase chain reaction, denaturing gel gradient electrophoresis, and sequence cloning based on 16S rRNA, dsrB genes, and their transcripts, we demonstrated a clear distinction between SRB population structure inhabiting normal or accelerated low-water corrosion deposits. Although SRB were present in both normal and accelerated low-water corrosion deposits, they dominated and were exclusively active in the inner and intermediate layers of accelerated corrosion deposits. We also highlighted that some of these SRB populations are specific to the accelerated low-water corrosion deposit environment in which they probably play a dominant role in the sulfured corrosion product enrichment.

Inhibition of methane and natural gas hydrate formation by altering the structure of water with amino acids.

PubMed

Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Cho, Seong Jun; Lee, Ju Dong; Lee, Kun-Hong

2016-08-16

Natural gas hydrates are solid hydrogen-bonded water crystals containing small molecular gases. The amount of natural gas stored as hydrates in permafrost and ocean sediments is twice that of all other fossil fuels combined. However, hydrate blockages also hinder oil/gas pipeline transportation, and, despite their huge potential as energy sources, our insufficient understanding of hydrates has limited their extraction. Here, we report how the presence of amino acids in water induces changes in its structure and thus interrupts the formation of methane and natural gas hydrates. The perturbation of the structure of water by amino acids and the resulting selective inhibition of hydrate cage formation were observed directly. A strong correlation was found between the inhibition efficiencies of amino acids and their physicochemical properties, which demonstrates the importance of their direct interactions with water and the resulting dissolution environment. The inhibition of methane and natural gas hydrate formation by amino acids has the potential to be highly beneficial in practical applications such as hydrate exploitation, oil/gas transportation, and flow assurance. Further, the interactions between amino acids and water are essential to the equilibria and dynamics of many physical, chemical, biological, and environmental processes.

Inhibition of methane and natural gas hydrate formation by altering the structure of water with amino acids

PubMed Central

Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Cho, Seong Jun; Lee, Ju Dong; Lee, Kun-Hong

2016-01-01

Natural gas hydrates are solid hydrogen-bonded water crystals containing small molecular gases. The amount of natural gas stored as hydrates in permafrost and ocean sediments is twice that of all other fossil fuels combined. However, hydrate blockages also hinder oil/gas pipeline transportation, and, despite their huge potential as energy sources, our insufficient understanding of hydrates has limited their extraction. Here, we report how the presence of amino acids in water induces changes in its structure and thus interrupts the formation of methane and natural gas hydrates. The perturbation of the structure of water by amino acids and the resulting selective inhibition of hydrate cage formation were observed directly. A strong correlation was found between the inhibition efficiencies of amino acids and their physicochemical properties, which demonstrates the importance of their direct interactions with water and the resulting dissolution environment. The inhibition of methane and natural gas hydrate formation by amino acids has the potential to be highly beneficial in practical applications such as hydrate exploitation, oil/gas transportation, and flow assurance. Further, the interactions between amino acids and water are essential to the equilibria and dynamics of many physical, chemical, biological, and environmental processes. PMID:27526869

Inhibition of methane and natural gas hydrate formation by altering the structure of water with amino acids

NASA Astrophysics Data System (ADS)

Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Cho, Seong Jun; Lee, Ju Dong; Lee, Kun-Hong

2016-08-01

Natural gas hydrates are solid hydrogen-bonded water crystals containing small molecular gases. The amount of natural gas stored as hydrates in permafrost and ocean sediments is twice that of all other fossil fuels combined. However, hydrate blockages also hinder oil/gas pipeline transportation, and, despite their huge potential as energy sources, our insufficient understanding of hydrates has limited their extraction. Here, we report how the presence of amino acids in water induces changes in its structure and thus interrupts the formation of methane and natural gas hydrates. The perturbation of the structure of water by amino acids and the resulting selective inhibition of hydrate cage formation were observed directly. A strong correlation was found between the inhibition efficiencies of amino acids and their physicochemical properties, which demonstrates the importance of their direct interactions with water and the resulting dissolution environment. The inhibition of methane and natural gas hydrate formation by amino acids has the potential to be highly beneficial in practical applications such as hydrate exploitation, oil/gas transportation, and flow assurance. Further, the interactions between amino acids and water are essential to the equilibria and dynamics of many physical, chemical, biological, and environmental processes.

Leveraging natural dynamical structures to explore multi-body systems

NASA Astrophysics Data System (ADS)

Bosanac, Natasha

Multi-body systems have become the target of an increasing number of mission concepts and observations, supplying further information about the composition, origin and dynamical environment of bodies within the solar system and beyond. In many of these scenarios, identification and characterization of the particular solutions that exist in a circular restricted three-body model is valuable. This insight into the underlying natural dynamical structures is achieved via the application of dynamical systems techniques. One application of such analysis is trajectory design for CubeSats, which are intended to explore cislunar space and other planetary systems. These increasingly complex mission objectives necessitate innovative trajectory design strategies for spacecraft within our solar system, as well as the capability for rapid and well-informed redesign. Accordingly, a trajectory design framework is constructed using dynamical systems techniques and demonstrated for the Lunar IceCube mission. An additional application explored in this investigation involves the motion of an exoplanet near a binary star system. Due to the strong gravitational field near a binary star, physicists have previously leveraged these systems as testbeds for examining the validity of gravitational and relativistic theories. In this investigation, a preliminary analysis into the effect of an additional three-body interaction on the dynamical environment near a large mass ratio binary system is conducted. As demonstrated through both of these sample applications, identification and characterization of the natural particular solutions that exist within a multi-body system supports a well-informed and guided analysis.

[Spatial structural characteristics of natural Populus davidiana - Betula platyphylla secondary forest].

PubMed

Shao, Fang-Li; Yu, Xin-Xiao; Song, Si-Ming; Zhao, Yang

2011-11-01

This paper analyzed the spatial structural characteristics of natural Populus davidiana - Betula platyphylla secondary forest in a 4 hm2 plot of Mulan Paddock, based on the diameter distribution and the spatial structure parameters mingling degree, neighborhood comparison, and angle index. In the forest, the diameter distribution of the stands presented as an inverse 'J' curve, the average mingling degree was 0.4, with the individuals at weak and zero mingling degree reached 51.6%, and the average mingling degree of P. davidiana and B. platyphylla was 0.25 and 0.39, respectively. The neighborhood comparison based on the diameter at breast height (DBH) and tree height was almost the same, suggesting that the P. davidiana and B. platyphylla were in the transition state from subdominant to middle. The horizontal distribution pattern had a close relation to the minimum measured DBH, being clustered when the DBH was > or = 1 cm and < 6 cm, and random when the DBH was > or = 6 cm.

Structure Properties and Mechanisms of Action of Naturally Originated Phenolic Acids and Their Derivatives against Human Viral Infections.

PubMed

Wu, Yi-Hang; Zhang, Bing-Yi; Qiu, Li-Peng; Guan, Rong-Fa; Ye, Zi-Hong; Yu, Xiao-Ping

2017-01-01

A great effort has been made to develop efficacious antiviral drugs, but many viral infections are still lack of efficient antiviral therapies so far. The related exploration of natural products to fight viruses has been raised in recent years. Natural compounds with structural diversity and complexity offer a great chance to find new antiviral agents. Particularly, phenolic acids have attracted considerable attention owing to their potent antiviral abilities and unique mechanisms. The aim of this review is to report new discoveries and updates pertaining to antiviral phenolic acids. The relevant references on natural phenolic acids were searched. The antiviral phenolic acids were classified according to their structural properties and antiviral types. Meanwhile, the antiviral characteristics and structure-activity relationships of phenolic acids and their derivatives were summarized. The review finds that natural phenolic acids and their derivatives possessed potent inhibitory effects on multiple virus in humans such as human immunodeficiency virus, hepatitis C virus, hepatitis B virus, herpes simplex virus, influenza virus and respiratory syncytial virus. In particular, caffeic acid/gallic acid and their derivatives exhibited outstanding antiviral properties by a variety of modes of action. Naturally derived phenolic acids especially caffeic acid/gallic acid and their derivatives may be regarded as novel promising antiviral leads or candidates. Additionally, scarcely any of these compounds has been used as antiviral treatment in clinical practice. Therefore, these phenolic acids with diverse skeletons and mechanisms provide us an excellent resource for finding novel antiviral drugs. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Structural characterization and mechanical properties of polypropylene reinforced natural fibers

NASA Astrophysics Data System (ADS)

Karim, M. A. A.; Zaman, I.; Rozlan, S. A. M.; Berhanuddin, N. I. C.; Manshoor, B.; Mustapha, M. S.; Khalid, A.; Chan, S. W.

2017-10-01

Recently the development of natural fiber composite instead of synthetics fiber has lead to eco-friendly product manufacturing to meet various applications in the field of automotive, construction and manufacturing. The use of natural fibers offer an alternative to the reinforcing fibers because of their good mechanical properties, low density, renewability, and biodegradability. In this present research, the effects of maleic anhydride polypropylene (MAPP) on the mechanical properties and material characterization behaviour of kenaf fiber and coir fiber reinforced polypropylene were investigated. Different fractions of composites with 10wt%, 20wt% and 30wt% fiber content were prepared by using brabender mixer at 190°C. The 3wt% MAPP was added during the mixing. The composites were subsequently molded with injection molding to prepare the test specimens. The mechanical properties of the samples were investigated according to ISO 527 to determine the tensile strength and modulus. These results were also confirmed by the SEM machine observations of fracture surface of composites and FTIR analysis of the chemical structure. As the results, the presence of MAPP helps increasing the mechanical properties of both fibers and 30wt% kenaf fiber with 3wt% MAPP gives the best result compare to others.

Estimation of velocity structure around a natural gas reservoir at Yufutsu, Japan, by microtremor survey

NASA Astrophysics Data System (ADS)

Shiraishi, H.; Asanuma, H.; Tezuka, K.

2010-12-01

Seismic reflection survey has been commonly used for exploration and time-lapse monitoring of oil/gas resources. Seismic reflection images typically have reasonable reliability and resolution for commercial production. However, cost consideration sometimes avoids deployment of widely distributed array or repeating survey in cases of time lapse monitoring or exploration of small-scale reservoir. Hence, technologies to estimate structures and physical properties around the reservoir with limited cost would be effectively used. Microtremor survey method (MSM) has an ability to realize long-term monitoring of reservoir with low cost, because this technique has a passive nature and minimum numbers of the monitoring station is four. MSM has been mainly used for earthquake disaster prevention, because velocity structure of S-wave is directly estimated from velocity dispersion of the Rayleigh wave. The authors experimentally investigated feasibility of the MSM survey for exploration of oil/gas reservoir. The field measurement was carried out around natural gas reservoir at Yufutsu, Hokkaido, Japan. Four types of arrays with array radii of 30m, 100m, 300m and 600m are deployed in each area. Dispersion curves of the velocity of Rayleigh wave were estimated from observed microtremors, and S-wave velocity structures were estimated by an inverse analysis of the dispersion curves with genetic algorism (GA). The estimated velocity structures showed good consistency with one dimensional velocity structure by previous reflection surveys up to 4-5 km. We also found from the field experiment that a data of 40min is effective to estimate the velocity structure even the seismometers are deployed along roads with heavy traffic.

Differences in microbial community structure and nitrogen cycling in natural and drained tropical peatland soils.

PubMed

Espenberg, Mikk; Truu, Marika; Mander, Ülo; Kasak, Kuno; Nõlvak, Hiie; Ligi, Teele; Oopkaup, Kristjan; Maddison, Martin; Truu, Jaak

2018-03-16

Tropical peatlands, which play a crucial role in the maintenance of different ecosystem services, are increasingly drained for agriculture, forestry, peat extraction and human settlement purposes. The present study investigated the differences between natural and drained sites of a tropical peatland in the community structure of soil bacteria and archaea and their potential to perform nitrogen transformation processes. The results indicate significant dissimilarities in the structure of soil bacterial and archaeal communities as well as nirK, nirS, nosZ, nifH and archaeal amoA gene-possessing microbial communities. The reduced denitrification and N 2 -fixing potential was detected in the drained tropical peatland soil. In undisturbed peatland soil, the N 2 O emission was primarily related to nirS-type denitrifiers and dissimilatory nitrate reduction to ammonium, while the conversion of N 2 O to N 2 was controlled by microbes possessing nosZ clade I genes. The denitrifying microbial community of the drained site differed significantly from the natural site community. The main reducers of N 2 O were microbes harbouring nosZ clade II genes in the drained site. Additionally, the importance of DNRA process as one of the controlling mechanisms of N 2 O fluxes in the natural peatlands of the tropics revealed from the results of the study.

Simultaneous structure-activity studies and arming of natural products by C-H amination reveal cellular targets of eupalmerin acetate.

PubMed

Li, Jing; Cisar, Justin S; Zhou, Cong-Ying; Vera, Brunilda; Williams, Howard; Rodríguez, Abimael D; Cravatt, Benjamin F; Romo, Daniel

2013-06-01

Natural products have a venerable history of, and enduring potential for the discovery of useful biological activity. To fully exploit this, the development of chemical methodology that can functionalize unique sites within these complex structures is highly desirable. Here, we describe the use of rhodium(II)-catalysed C-H amination reactions developed by Du Bois to carry out simultaneous structure-activity relationship studies and arming (alkynylation) of natural products at 'unfunctionalized' positions. Allylic and benzylic C-H bonds in the natural products undergo amination while olefins undergo aziridination, and tertiary amine-containing natural products are converted to amidines by a C-H amination-oxidation sequence or to hydrazine sulfamate zwitterions by an unusual N-amination. The alkynylated derivatives are ready for conversion into cellular probes that can be used for mechanism-of-action studies. Chemo- and site-selectivity was studied with a diverse library of natural products. For one of these-the marine-derived anticancer diterpene, eupalmerin acetate-quantitative proteome profiling led to the identification of several protein targets in HL-60 cells, suggesting a polypharmacological mode of action.

Simultaneous structure-activity studies and arming of natural products by C-H amination reveal cellular targets of eupalmerin acetate

NASA Astrophysics Data System (ADS)

Li, Jing; Cisar, Justin S.; Zhou, Cong-Ying; Vera, Brunilda; Williams, Howard; Rodríguez, Abimael D.; Cravatt, Benjamin F.; Romo, Daniel

2013-06-01

Natural products have a venerable history of, and enduring potential for the discovery of useful biological activity. To fully exploit this, the development of chemical methodology that can functionalize unique sites within these complex structures is highly desirable. Here, we describe the use of rhodium(II)-catalysed C-H amination reactions developed by Du Bois to carry out simultaneous structure-activity relationship studies and arming (alkynylation) of natural products at ‘unfunctionalized’ positions. Allylic and benzylic C-H bonds in the natural products undergo amination while olefins undergo aziridination, and tertiary amine-containing natural products are converted to amidines by a C-H amination-oxidation sequence or to hydrazine sulfamate zwitterions by an unusual N-amination. The alkynylated derivatives are ready for conversion into cellular probes that can be used for mechanism-of-action studies. Chemo- and site-selectivity was studied with a diverse library of natural products. For one of these—the marine-derived anticancer diterpene, eupalmerin acetate—quantitative proteome profiling led to the identification of several protein targets in HL-60 cells, suggesting a polypharmacological mode of action.

Mimicking/extracting structure and functions of natural products: synthetic approaches that address unexplored needs in chemical biology.

PubMed

Hirai, Go

2015-04-01

Natural products are often attractive and challenging targets for synthetic chemists, and many have interesting biological activities. However, synthetic chemists need to be more than simply suppliers of compounds to biologists. Therefore, we have been seeking ways to actively apply organic synthetic methods to chemical biology studies of natural products and their activities. In this personal review, I would like to introduce our work on the development of new biologically active compounds inspired by, or extracted from, the structures of natural products, focusing on enhancement of functional activity and specificity and overcoming various drawbacks of the parent natural products. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mass Spectrometry as a Powerful Analytical Technique for the Structural Characterization of Synthesized and Natural Products

NASA Astrophysics Data System (ADS)

Es-Safi, Nour-Eddine; Essassi, El Mokhtar; Massoui, Mohamed; Banoub, Joseph

Mass spectrometry is an important tool for the identification and structural elucidation of natural and synthesized compounds. Its high sensitivity and the possibility of coupling liquid chromatography with mass spectrometry detection make it a technique of choice for the investigation of complex mixtures like raw natural extracts. The mass spectrometer is a universal detector that can achieve very high sensitivity and provide information on the molecular mass. More detailed information can be subsequently obtained by resorting to collision-induced dissociation tandem mass spectrometry (CID-MS/MS). In this review, the application of mass spectrometric techniques for the identification of natural and synthetic compounds is presented. The gas-phase fragmentation patterns of a series of four natural flavonoid glycosides, three synthesized benzodiazepines and two synthesized quinoxalinone derivatives were investigated using electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry techniques. Exact accurate masses were measured using a modorate resolution quadrupole orthogonal time-of-flight QqTOF-MS/MS hybrid mass spectrometer instrument. Confirmation of the molecular masses and the chemical structures of the studied compounds were achieved by exploring the gas-phase breakdown routes of the ionized molecules. This was rationalized by conducting low-energy collision CID-MS/MS analyses (product ion- and precursor ion scans) using a conventional quadrupole hexapole-quadrupole (QhQ) tandem mass spectrometer.

Artificial selection for structural color on butterfly wings and comparison with natural evolution

PubMed Central

Wasik, Bethany R.; Liew, Seng Fatt; Lilien, David A.; Dinwiddie, April J.; Noh, Heeso; Cao, Hui; Monteiro, Antónia

2014-01-01

Brilliant animal colors often are produced from light interacting with intricate nano-morphologies present in biological materials such as butterfly wing scales. Surveys across widely divergent butterfly species have identified multiple mechanisms of structural color production; however, little is known about how these colors evolved. Here, we examine how closely related species and populations of Bicyclus butterflies have evolved violet structural color from brown-pigmented ancestors with UV structural color. We used artificial selection on a laboratory model butterfly, B. anynana, to evolve violet scales from UV brown scales and compared the mechanism of violet color production with that of two other Bicyclus species, Bicyclus sambulos and Bicyclus medontias, which have evolved violet/blue scales independently via natural selection. The UV reflectance peak of B. anynana brown scales shifted to violet over six generations of artificial selection (i.e., in less than 1 y) as the result of an increase in the thickness of the lower lamina in ground scales. Similar scale structures and the same mechanism for producing violet/blue structural colors were found in the other Bicyclus species. This work shows that populations harbor large amounts of standing genetic variation that can lead to rapid evolution of scales’ structural color via slight modifications to the scales’ physical dimensions. PMID:25092295

Artificial selection for structural color on butterfly wings and comparison with natural evolution.

PubMed

Wasik, Bethany R; Liew, Seng Fatt; Lilien, David A; Dinwiddie, April J; Noh, Heeso; Cao, Hui; Monteiro, Antónia

2014-08-19

Brilliant animal colors often are produced from light interacting with intricate nano-morphologies present in biological materials such as butterfly wing scales. Surveys across widely divergent butterfly species have identified multiple mechanisms of structural color production; however, little is known about how these colors evolved. Here, we examine how closely related species and populations of Bicyclus butterflies have evolved violet structural color from brown-pigmented ancestors with UV structural color. We used artificial selection on a laboratory model butterfly, B. anynana, to evolve violet scales from UV brown scales and compared the mechanism of violet color production with that of two other Bicyclus species, Bicyclus sambulos and Bicyclus medontias, which have evolved violet/blue scales independently via natural selection. The UV reflectance peak of B. anynana brown scales shifted to violet over six generations of artificial selection (i.e., in less than 1 y) as the result of an increase in the thickness of the lower lamina in ground scales. Similar scale structures and the same mechanism for producing violet/blue structural colors were found in the other Bicyclus species. This work shows that populations harbor large amounts of standing genetic variation that can lead to rapid evolution of scales' structural color via slight modifications to the scales' physical dimensions.

Phylogenetic tree and community structure from a Tangled Nature model.

PubMed

Canko, Osman; Taşkın, Ferhat; Argın, Kamil

2015-10-07

In evolutionary biology, the taxonomy and origination of species are widely studied subjects. An estimation of the evolutionary tree can be done via available DNA sequence data. The calculation of the tree is made by well-known and frequently used methods such as maximum likelihood and neighbor-joining. In order to examine the results of these methods, an evolutionary tree is pursued computationally by a mathematical model, called Tangled Nature. A relatively small genome space is investigated due to computational burden and it is found that the actual and predicted trees are in reasonably good agreement in terms of shape. Moreover, the speciation and the resulting community structure of the food-web are investigated by modularity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Inspiration from nature: dynamic modelling of the musculoskeletal structure of the seahorse tail.

PubMed

Praet, Tomas; Adriaens, Dominique; Van Cauter, Sofie; Masschaele, Bert; De Beule, Matthieu; Verhegghe, Benedict

2012-10-01

Technological advances are often inspired by nature, considering that engineering is frequently faced by the same challenges as organisms in nature. One such interesting challenge is creating a structure that is at the same time stiff in a certain direction, yet flexible in another. The seahorse tail combines both radial stiffness and bending flexibility in a particularly elegant way: even though the tail is covered in a protective armour, it still shows sufficient flexibility to fully function as a prehensile organ. We therefore study the complex mechanics and dynamics of the musculoskeletal system of the seahorse tail from an engineering point of view. The seahorse tail derives its combination of flexibility and resilience from a chain of articulating skeletal segments. A versatile dynamic model of those segments was constructed, on the basis of automatic recognition of joint positions and muscle attachments. Both muscle structures that are thought to be responsible for ventral and ventral-lateral tail bending, namely the median ventral muscles and the hypaxial myomere muscles, were included in the model. Simulations on the model consist mainly of dynamic multi-body simulations. The results show that the sequential structure of uniformly shaped bony segments can remain flexible because of gliding joints that connect the corners of the segments. Radial stiffness on the other hand is obtained through the support that the central vertebra provides to the tail plating. Such insights could help in designing biomedical instruments that specifically require both high bending flexibility and radial stiffness (e.g. flexible stents and steerable catheters). Copyright © 2012 John Wiley & Sons, Ltd.

Universal composition-structure-property maps for natural and biomimetic platelet-matrix composites and stacked heterostructures.

PubMed

Sakhavand, Navid; Shahsavari, Rouzbeh

2015-03-16

Many natural and biomimetic platelet-matrix composites--such as nacre, silk, and clay-polymer-exhibit a remarkable balance of strength, toughness and/or stiffness, which call for a universal measure to quantify this outstanding feature given the structure and material characteristics of the constituents. Analogously, there is an urgent need to quantify the mechanics of emerging electronic and photonic systems such as stacked heterostructures. Here we report the development of a unified framework to construct universal composition-structure-property diagrams that decode the interplay between various geometries and inherent material features in both platelet-matrix composites and stacked heterostructures. We study the effects of elastic and elastic-perfectly plastic matrices, overlap offset ratio and the competing mechanisms of platelet versus matrix failures. Validated by several 3D-printed specimens and a wide range of natural and synthetic materials across scales, the proposed universally valid diagrams have important implications for science-based engineering of numerous platelet-matrix composites and stacked heterostructures.

A ring-distortion strategy to construct stereochemically complex and structurally diverse compounds from natural products

NASA Astrophysics Data System (ADS)

Huigens, Robert W., III; Morrison, Karen C.; Hicklin, Robert W.; Flood, Timothy A., Jr.; Richter, Michelle F.; Hergenrother, Paul J.

2013-03-01

High-throughput screening is the dominant method used to identify lead compounds in drug discovery. As such, the makeup of screening libraries largely dictates the biological targets that can be modulated and the therapeutics that can be developed. Unfortunately, most compound-screening collections consist principally of planar molecules with little structural or stereochemical complexity, compounds that do not offer the arrangement of chemical functionality necessary for the modulation of many drug targets. Here we describe a novel, general and facile strategy for the creation of diverse compounds with high structural and stereochemical complexity using readily available natural products as synthetic starting points. We show through the evaluation of chemical properties (which include fraction of sp3 carbons, ClogP and the number of stereogenic centres) that these compounds are significantly more complex and diverse than those in standard screening collections, and we give guidelines for the application of this strategy to any suitable natural product.

Structural Revisions of a Class of Natural Products: Scaffolds of Aglycon Analogues of Fusicoccins and Cotylenins Isolated from Fungi.

PubMed

Tang, Ying; Xue, Yongbo; Du, Guang; Wang, Jianping; Liu, Junjun; Sun, Bin; Li, Xiao-Nian; Yao, Guangmin; Luo, Zengwei; Zhang, Yonghui

2016-03-14

The reisolation and structural revision of brassicicene D is described, and inspired us to reassign the core skeletons of brassicicenes C-H, J and K, ranging from dicyclopenta[a,d]cyclooctane to tricyclo[9.2.1.0(3,7)]tetradecane using quantum-chemical predictions and experimental validation strategies. Three novel, highly modified fusicoccanes, brassicicenes L-N, were also isolated from the fungus Alternaria brassicicola, and their structures were unequivocally established by spectroscopic data, ECD calculations, and crystallography. The reassigned structures represent the first class of bridgehead double-bond-containing natural products with a bicyclo[6.2.1]undecane carbon skeleton. Furthermore, their stabilities were first predicted with olefin strain energy calculations. Collectively, these findings extend our view of the application of computational predictions and biosynthetic logic-based structure elucidation to address problems related to the structure and stability of natural products. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Petrology and dolomitization of the C' zone, Red River Formation (Ordovician), in a deep core, Williston basin, Richland County, eastern Montana

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

Zenger, D.H.

Unocal's Superior [number sign]1 Vanderhoof 97-foot (29.6 m) core consists of 63 feet (19.2 m) of the upper part of the C' burrowed member (BM) overlain by 34 feet (10.4 m) of the C' laminated member (LM) of the productive Red River Formation. The LM is mainly laminated, anhydritic, stylolitic, essentially unfossiliferous dolomudstone to calcareous dolomudstone with more minor dolomitic lime mudstone. The unit represents a restricted, hypersaline, inner shelf environment. The BM is burrow-mottled (Thalassinoides ), skeletal, dolomitic wackestone to grainstone matrix to calcareous dolowackestone (burrow fills) and represents near-normal salinity, inner shelf conditions. Dolomite is primarily replacive andmore » in the LM occurs as 25--50 [mu]m rhombs floating in mudstone or associated with stylolites, and as nonplanar, polymodal (5--50 [mu]m) crystals in totally dolomitized intervals. Most BM dolomite consists of 20--160 [mu]m, primarily nonplanar crystals in the largely replaced burrow fills; it also occurs as crystals that are disseminated or focused along stylolites (as in LM), as large crystals selectively and pseudomorphically replacing echinoderm fragments, and more rarely as late-stage, void-filling saddle dolomite. Previous theories of dolomitization have invoked descending brines. Geochemical data, in particular depleted [delta][sup 18]O and relatively low amounts of trace elements Sr and Na, but high Fe and Mn content, reveal that if brines were responsible for early diagenetic replacement, the dolomite has not retained such geochemical memory; rather it has undergone modification, acquiring later diagenetic, burial signatures. Possibly more of the replacement itself was later and deeper than previously thought.« less

The development of structures in analogue and natural debris avalanches

NASA Astrophysics Data System (ADS)

Paguican, Engielle Mae; van Wyk de Vries, Benjamin; Mahar Francisco Lagmay, Alfredo; Grosse, Pablo

2010-05-01

All types of rockslide-debris avalanches present a plethora of internal structures that are also well observed on the surface. Many of these are seen as faults and folds that can be used to determine deformation history and kinematics. We present two sets of simple and well-constrained experiments of reduced basal friction laboratory rockslides, equivalent to a highly deformed simple shear layer, with plug-flow. These follow the original ramp-slide work of Shea and van Wyk de Vries (Geosphere, 2008). The experiments used a curved ramp where materials accelerate until reaching a gently-sloped depositional surface and a constantly inclined ramp with a more regular slope and longer slides. A detailed description of deposit structures, their sequential formation and morphology is then used to investigate the transport type and deformation chronology from slide initiation to runout stopping of avalanches. Results using a curved ramp show accumulation and thickening at where the slope decreases. The thickened mass then further remobilises and advances by secondary collapse of the mass. Such a stop-start process may be important in many mountainous avalanches where there are rapid changes in slope. The constantly inclined ramp shows shearing and extensional structures at the levees and a set of compression and extension structures in the middle. We noted that frontal accumulation during flow occurs as materials at the front move slower relative to those in the medial and proximal zones. This also leads to secondary frontal collapse, and helps to maintain a thicker mass that can flow further. Descriptions and analyses of these structures are then applied to the kinematics and dynamics of natural examples. We study the 2006 Guinsaugon Rockslide event in the Philippines and find that frontal accumulation and secondary avalanching had also occurred and were important in determining the distribution and runout of the mass. Frontal bulking and collapse may also have occurred at

Interset: A natural language interface for teleoperated robotic assembly of the EASE space structure

NASA Technical Reports Server (NTRS)

Boorsma, Daniel K.

1989-01-01

A teleoperated robot was used to assemble the Experimental Assembly of Structures in Extra-vehicular activity (EASE) space structure under neutral buoyancy conditions, simulating a telerobot performing structural assembly in the zero gravity of space. This previous work used a manually controlled teleoperator as a test bed for system performance evaluations. From these results several Artificial Intelligence options were proposed. One of these was further developed into a real time assembly planner. The interface for this system is effective in assembling EASE structures using windowed graphics and a set of networked menus. As the problem space becomes more complex and hence the set of control options increases, a natural language interface may prove to be beneficial to supplement the menu based control strategy. This strategy can be beneficial in situations such as: describing the local environment, maintaining a data base of task event histories, modifying a plan or a heuristic dynamically, summarizing a task in English, or operating in a novel situation.

The Nature and Origin of Time-Asymmetric Spacetime Structures

NASA Astrophysics Data System (ADS)

Zeh, H. Dieter

Time-asymmetric spacetime structures, in particular those representing black holes and the expansion of the universe, are intimately related to other arrows of time, such as the second law and the retardation of radiation. The nature of the quantum arrow, often attributed to a collapse of the wave function, is essential, in particular, for understanding the much discussed black hole information loss paradox. This paradox assumes a new form and can possibly be avoided in a consistent causal treatment that may be able to avoid horizons and singularities. The master arrow that would combine all arrows of time does not have to be identified with a direction of the formal time parameter that serves to formulate the dynamics as a succession of global states (a trajectory in configuration or Hilbert space). It may even change direction with respect to a fundamental physical clock such as the cosmic expansion parameter if this was formally extended either into a future contraction era or to negative pre-big-bang values.

Microsatellite and Wolbachia analysis in Rhagoletis cerasi natural populations: population structuring and multiple infections.

PubMed

Augustinos, Antonios A; Asimakopoulou, Anastasia K; Moraiti, Cleopatra A; Mavragani-Tsipidou, Penelope; Papadopoulos, Nikolaos T; Bourtzis, Kostas

2014-05-01

Rhagoletis cerasi (Diptera: Tephritidae) is a major pest of sweet and sour cherries in Europe and parts of Asia. Despite its economic significance, there is a lack of studies on the genetic structure of R. cerasi populations. Elucidating the genetic structure of insects of economic importance is crucial for developing phenological-predictive models and environmental friendly control methods. All natural populations of R. cerasi have been found to harbor the endosymbiont Wolbachia pipientis, which widely affects multiple biological traits contributing to the evolution of its hosts, and has been suggested as a tool for the biological control of insect pests and disease vectors. In the current study, the analysis of 18 R. cerasi populations collected in Greece, Germany, and Russia using 13 microsatellite markers revealed structuring of R. cerasi natural populations, even at close geographic range. We also analyzed the Wolbachia infection status of these populations using 16S rRNA-, MLST- and wsp-based approaches. All 244 individuals screened were positive for Wolbachia. Our results suggest the fixation of the wCer1 strain in Greece while wCer2, wCer4, wCer5, and probably other uncharacterized strains were also detected in multiply infected individuals. The role of Wolbachia and its potential extended phenotypes needs a thorough investigation in R. cerasi. Our data suggest an involvement of this symbiont in the observed restriction in the gene flow in addition to a number of different ecological factors.

Microsatellite and Wolbachia analysis in Rhagoletis cerasi natural populations: population structuring and multiple infections

PubMed Central

Augustinos, Antonios A; Asimakopoulou, Anastasia K; Moraiti, Cleopatra A; Mavragani-Tsipidou, Penelope; Papadopoulos, Nikolaos T; Bourtzis, Kostas

2014-01-01

Rhagoletis cerasi (Diptera: Tephritidae) is a major pest of sweet and sour cherries in Europe and parts of Asia. Despite its economic significance, there is a lack of studies on the genetic structure of R. cerasi populations. Elucidating the genetic structure of insects of economic importance is crucial for developing phenological-predictive models and environmental friendly control methods. All natural populations of R. cerasi have been found to harbor the endosymbiont Wolbachia pipientis, which widely affects multiple biological traits contributing to the evolution of its hosts, and has been suggested as a tool for the biological control of insect pests and disease vectors. In the current study, the analysis of 18 R. cerasi populations collected in Greece, Germany, and Russia using 13 microsatellite markers revealed structuring of R. cerasi natural populations, even at close geographic range. We also analyzed the Wolbachia infection status of these populations using 16S rRNA-, MLST- and wsp-based approaches. All 244 individuals screened were positive for Wolbachia. Our results suggest the fixation of the wCer1 strain in Greece while wCer2, wCer4, wCer5, and probably other uncharacterized strains were also detected in multiply infected individuals. The role of Wolbachia and its potential extended phenotypes needs a thorough investigation in R. cerasi. Our data suggest an involvement of this symbiont in the observed restriction in the gene flow in addition to a number of different ecological factors. PMID:24963388

Determination of the complete structure of natural lecithins.

PubMed

Kuksis, A; Marai, L

1967-05-01

A method is described for the separation, identification, and quantitative estimation of the individual molecular species occurring in natural lecithin mixtures. Purified lecithin preparations are converted into diglyceride acetates by enzymic dephosphorylation and acetylation. The diglyceride acetates are separated on the basis of the degree of unsaturation and the molecular geometry by means of chromatography on thin layers of silica gel which are impregnated with silver nitrate. The various acetates thus resolved are separately recovered from the plates and diluted with tridecanoin internal standard; the quantitative distribution of the molecular weights is determined by gas chromatography.Suitable aliquots of the saturated and unsaturated diglyceride acetates are further analyzed for over-all and for positional distribution of fatty acids. The identity and proportions of the various lecithins are deduced by integration and normalization of all the experimental data. Where doubt exists, specific diglyceride acetates are isolated by preparative gas chromatography, and their fatty acid composition is determined. The method is illustrated with data obtained for the mixed lecithins of egg yolk. The general approach is applicable to the determination of the structure of other phospholipids of comparable complexity.

Stand structure influences nekton community composition and provides protection from natural disturbance in Micronesian mangroves

Treesearch

Richard A. MacKenzie; Nicole Cormier

2012-01-01

Structurally complex mangrove roots are thought to provide foraging habitat, predation refugia, and typhoon protection for resident fish, shrimp, and crabs. The spatially compact nature of Micronesian mangroves results in model ecosystems to test these ideas. Tidal creek nekton assemblages were compared among mangrove forests impacted by Typhoon Sudal and differing in...

AFM imaging of natural optical structures

NASA Astrophysics Data System (ADS)

Dallaeva, Dinara; Tománek, Pavel; Prokopyeva, Elena; Kaspar, Pavel; Grmela, Lubomír.; Škarvada, Pavel

2015-01-01

The colors of some living organisms assosiated with the surface structure. Irridesence butterfly wings is an example of such coloration. Optical effects such as interference, diffraction, polarization are responsible for physical colors appearance. Alongside with amazing beauty this structure represent interest for design of optical devices. Here we report the results of morphology investigation by atomic force microscopy. The difference in surface structure of black and blue wings areas is clearly observed. It explains the angle dependence of the wing blue color, since these micrometer and sub-micrometer quasiperiodical structures could control the light propagation, absorption and reflection.

Determination of the real structure of artificial and natural opals on the basis of three-dimensional reconstructions of reciprocal space

NASA Astrophysics Data System (ADS)

Eliseev, A. A.; Gorozhankin, D. F.; Napolskii, K. S.; Petukhov, A. V.; Sapoletova, N. A.; Vasilieva, A. V.; Grigoryeva, N. A.; Mistonov, A. A.; Byelov, D. V.; Bouwman, W. G.; Kvashnina, K. O.; Chernyshov, D. Yu.; Bosak, A. A.; Grigoriev, S. V.

2009-10-01

The distribution of the scattering intensity in the reciprocal space for natural and artificial opals has been reconstructed from a set of small-angle X-ray diffraction patterns. The resulting three-dimensional intensity maps are used to analyze the defect structure of opals. The structure of artificial opals can be satisfactorily described in the Wilson probability model with the prevalence of layers in the fcc environment. The diffraction patterns observed for a natural opal confirm the presence of sufficiently long unequally occupied fcc domains.

Human and natural influences on the changing thermal structure of the atmosphere

PubMed Central

Santer, Benjamin D.; Painter, Jeffrey F.; Bonfils, Céline; Mears, Carl A.; Solomon, Susan; Wigley, Tom M. L.; Gleckler, Peter J.; Schmidt, Gavin A.; Doutriaux, Charles; Gillett, Nathan P.; Taylor, Karl E.; Thorne, Peter W.; Wentz, Frank J.

2013-01-01

Since the late 1970s, satellite-based instruments have monitored global changes in atmospheric temperature. These measurements reveal multidecadal tropospheric warming and stratospheric cooling, punctuated by short-term volcanic signals of reverse sign. Similar long- and short-term temperature signals occur in model simulations driven by human-caused changes in atmospheric composition and natural variations in volcanic aerosols. Most previous comparisons of modeled and observed atmospheric temperature changes have used results from individual models and individual observational records. In contrast, we rely on a large multimodel archive and multiple observational datasets. We show that a human-caused latitude/altitude pattern of atmospheric temperature change can be identified with high statistical confidence in satellite data. Results are robust to current uncertainties in models and observations. Virtually all previous research in this area has attempted to discriminate an anthropogenic signal from internal variability. Here, we present evidence that a human-caused signal can also be identified relative to the larger “total” natural variability arising from sources internal to the climate system, solar irradiance changes, and volcanic forcing. Consistent signal identification occurs because both internal and total natural variability (as simulated by state-of-the-art models) cannot produce sustained global-scale tropospheric warming and stratospheric cooling. Our results provide clear evidence for a discernible human influence on the thermal structure of the atmosphere. PMID:24043789

Geodynamic models of the deep structure of the natural disaster regions of the Earth

NASA Astrophysics Data System (ADS)

Rodnikov, A. G.; Sergeyeva, N. A.; Zabarinskaya, L. P.

2012-04-01

Investigation of the deep structure and creation of geodynamic models of natural disaster regions are important for understanding of the nature of such phenomena as earthquakes, eruptions of volcanoes, tsunami and others. Carrying out of such researches is necessary for definition of areas of potential risk, forecasting and the prevention of negative consequences of acts of nature. Research region is active continental margins of the Sea of Okhotsk, and especially the area of Neftegorsk earthquake which has occurred on May, 28th 1995 in the North Sakhalin and caused many victims and destructions. The geodynamic model of the lithosphere in the region of Neftegorsk earthquake has been constructed along the profile crossing the North Sakhalin Basin, Deryugin Basin and ophiolite complex between them. The Deryugin Basin was formed at the site of an ancient deep trench after the subduction of the Okhotsk Sea Plate under Sakhalin. The basin is located above a hot plume in the mantle at a depth of 25 km. The ophiolite belt of ultramafic magmatic rocks is an ancient (K2-Pg) paleosubduction zone separating the Deryugin basin from the North Sakhalin Basin. The thickness of the ancient seismic focal zone is 80 km. It is probably that the structures of the North Sakhalin have been formed in the following way. In the Late Cretaceous the oceanic Okhotsk Sea Plate subducted under Sakhalin, the eastern part of which was an andesite island arc. Approximately in Miocene the subduction of the plate apparently ceased. In that time the Tatar Rift Strait was formed. Ophiolite rocks of the subduction zones as a result of compression have been squeezed out on a surface. The ophiolite complex combined by the ultrabasic rocks, fixes position of ancient subduction zone. It is probable that the manifestation of the Neftegorsk earthquake was a result of activization of this ancient subduction zone. On a surface the subduction zone manifests itself as deep faults running along Sakhalin. The

Electrospun nanofibres to mimic natural hierarchical structure of tissues: application in musculoskeletal regeneration.

PubMed

Sankar, Sharanya; Sharma, Chandra S; Rath, Subha N; Ramakrishna, Seeram

2018-01-01

Biomimetic scaffolds mimicking the natural hierarchical structure of tissues have recently attracted the interest of researchers and provide a promising strategy to resemble the nonhomogeneous property of tissues. This review provides an overview of the various hierarchical length scales in the native tissues of the musculoskeletal system. It further focuses on electrospinning as a technique to mimic the tissue structures with specific emphasis on bone. The effect of cellular alignment, infiltration, vascularisation, and differentiation in these nanostructures has also been discussed. An outline of the various additive manufacturing techniques in combination with electrospinning has been elaborated. The review concludes with the challenges and future directions to understand the intricacies of bottom-up approach to engineer the systems at a macroscale. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Genetic diversity and population structure of Lactobacillus delbrueckii subspecies bulgaricus isolated from naturally fermented dairy foods.

PubMed

Song, Yuqin; Sun, Zhihong; Guo, Chenyi; Wu, Yarong; Liu, Wenjun; Yu, Jie; Menghe, Bilige; Yang, Ruifu; Zhang, Heping

2016-03-04

Lactobacillus delbrueckii subsp. bulgaricus is one of the most widely used starter culture strains in industrial fermented dairy manufacture. It is also common in naturally fermented dairy foods made using traditional methods. The subsp. bulgaricus strains found in naturally fermented foods may be useful for improving current industrial starter cultures; however, little is known regarding its genetic diversity and population structure. Here, a collection of 298 L. delbrueckii strains from naturally fermented products in Mongolia, Russia, and West China was analyzed by multi-locus sequence typing based on eight conserved genes. The 251 confirmed subsp. bulgaricus strains produced 106 unique sequence types, the majority of which were assigned to five clonal complexes (CCs). The geographical distribution of CCs was uneven, with CC1 dominated by Mongolian and Russian isolates, and CC2-CC5 isolates exclusively from Xinjiang, China. Population structure analysis suggested six lineages, L1-L6, with various homologous recombination rates. Although L2-L5 were mainly restricted within specific regions, strains belonging to L1 and L6 were observed in diverse regions, suggesting historical transmission events. These results greatly enhance our knowledge of the population diversity of subsp. bulgaricus strains, and suggest that strains from CC1 and L4 may be useful as starter strains in industrial fermentation.

Tubular structured hierarchical mesoporous titania material derived from natural cellulosic substances and application as photocatalyst for degradation of methylene blue

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

Huang, Haiqing; Liu, Xiaoyan; Huang, Jianguo, E-mail: jghuang@zju.edu.cn

Graphical abstract: Bio-inspired, tubular structured hierarchical mesoporous titania material with high photocatalytic activity under UV light was fabricated employing natural cellulosic substance (cotton) as hard template and cetyltrimethylammonium bromide (CTAB) surfactant as soft template using a one-pot sol-gel method. Highlights: {yields} Tubular structured mesoporous titania material was fabricated by sol-gel method. {yields} The titania material faithfully recorded the hierarchical structure of the template substrate (cotton). {yields} The titania material exhibited high photocatalytic activity in decomposition of methylene blue. -- Abstract: Bio-inspired, tubular structured hierarchical mesoporous titania material was designed and fabricated employing natural cellulosic substance (cotton) as hard template andmore » cetyltrimethylammonium bromide (CTAB) surfactant as soft template by one-pot sol-gel method. The tubular structured hierarchical mesoporous titania material processes large specific surface area (40.23 m{sup 2}/g) and shows high photocatalytic activity in the photodegradation of methylene blue under UV light irradiation.« less

Glycosylation and Activities of Natural Products.

PubMed

Huang, Gangliang; Lv, Meijiao; Hu, Jinchuan; Huang, Kunlin; Xu, Hong

2016-01-01

Natural products are widely found in nature, their number and variety are numerous, the structures are complex and diverse. These natural products have many physiological and pharmacological activities. Glycosylation can increase the diversity of structure and function of natural product, it has become the focus of drug research and development. The impacts of glycosylation of natural products to water solubility, pharmacological activities, bioavailability, or others were described in this review, which provides a reference for the development and application of glycosylated natural products.

Introduction to natural disturbances and historic range of variation: type, frequency, severity, and post-disturbance structure in central hardwood forests

Treesearch

Katie Greenberg; Beverly S. Collins; Henry McNab; Douglas K. Miller; Gary R. Wein

2015-01-01

EXCERPT FROM: Natural Disturbances and Historic Range Variation 2015. Throughout the history of upland hardwood forests of the Central Hardwood Region, natural disturbances have been integral to shaping forest structure and composition, and essential in maintaining diverse biotic...

Naturally engineered glycolipid biosurfactants leading to distinctive self-assembled structures.

PubMed

Imura, Tomohiro; Ohta, Noboru; Inoue, Katsuaki; Yagi, Naoto; Negishi, Hideyuki; Yanagishita, Hiroshi; Kitamoto, Dai

2006-03-08

Self-assembling properties of "natural" glycolipid biosurfactants, mannosyl-erythritol lipids A and B (MEL-A, MEL-B), which are abundantly produced from yeast strains, were investigated by using the fluorescence-probe method, dynamic light-scattering (DLS) analysis, freeze-fracture transmission electron microscopy (FF-TEM), and synchrotron small/wide-angle X-ray scattering (SAXS/WAXS) analysis, among other methods. Both MEL-A and MEL-B exhibit excellent self-assembly properties at extremely low concentrations; they self-assemble into large unilamellar vesicles (LUV) just above their critical-aggregation concentration (CAC). The CAC(I) value was found to be 4.0x10(-6) M for MEL-A and 6.0x10(-6) M for MEL-B. Moreover, the self-assembled structure of MEL-A above a CAC(II) value of 2.0x10(-5) M was found to drastically change into sponge structures (L3) composed of a network of randomly connected bilayers that are usually obtained from a complicated multicomponent "synthetic" surfactant system. Interestingly, the average water-channel diameter of the sponge structure was 100 nm. This is relatively large compared with those obtained from "synthetic" surfactant systems. In addition, MEL-B, which has a hydroxyl group at the C-4' position on mannose instead of an acetyl group, gives only one CAC; the self-assembled structure of MEL-B seems to gradually move from LUV to multilamellar vesicles (MLV) with lattice constants of 4.4 nm, depending on the concentration. Furthermore, the lyotropic-liquid-crystal-phase observation at high concentrations demonstrates the formation of an inverted hexagonal phase (H2) for MEL-A, together with a lamella phase (L(alpha)) for MEL-B, indicating a difference between MEL-A and MEL-B molecules in the spontaneous curvature of the assemblies. These results clearly show that the difference in spontaneous curvature caused by the single acetyl group on the head group probably decides the direction of self-assembly of glycolipid biosurfactants. The

Impacts of engineered nanomaterials on microbial community structure and function in natural and engineered ecosystems.

PubMed

Mohanty, Anee; Wu, Yichao; Cao, Bin

2014-10-01

In natural and engineered environments, microorganisms often exist as complex communities, which are key to the health of ecosystems and the success of bioprocesses in various engineering applications. With the rapid development of nanotechnology in recent years, engineered nanomaterials (ENMs) have been considered one type of emerging contaminants that pose great potential risks to the proper function of microbial communities in natural and engineered ecosystems. The impacts of ENMs on microorganisms have attracted increasing research attentions; however, most studies focused on the antimicrobial activities of ENMs at single cell and population level. Elucidating the influence of ENMs on microbial communities represents a critical step toward a comprehensive understanding of the ecotoxicity of ENMs. In this mini-review, we summarize and discuss recent research work on the impacts of ENMs on microbial communities in natural and engineered ecosystems, with an emphasis on their influences on the community structure and function. We also highlight several important research topics which may be of great interest to the research community.

Abundance of non-native crabs in intertidal habitats of New England with natural and artificial structure.

PubMed

Lovely, Christina M; O'Connor, Nancy J; Judge, Michael L

2015-01-01

Marine habitats containing complex physical structure (e.g., crevices) can provide shelter from predation for benthic invertebrates. To examine effects of natural and artificial structure on the abundance of intertidal juvenile crabs, 2 experiments were conducted in Kingston Bay, Massachusetts, USA, from July to September, 2012. In the first experiment, structure was manipulated in a two-factor design that was placed in the high intertidal for 3 one-week periods to test for both substrate type (sand vs. rock) and the presence or absence of artificial structure (mesh grow-out bags used in aquaculture, ∼0.5 m(2) with 62 mm(2) mesh openings). The Asian shore crab, Hemigrapsus sanguineus, and small individuals of the green crab, Carcinus maenas, were observed only in the treatments of rocks and mesh bag plus rocks. Most green crabs were small (<6 mm in carapace width) whereas H. sanguineus occurred in a wide range of sizes. In the second experiment, 3 levels of oyster-shell treatments were established using grow-out bags placed on a muddy sand substrate in the low intertidal zone: mesh grow-out bags without shells, grow-out bags with oyster shells, and grow-out bags containing live oysters. Replicate bags were deployed weekly for 7 weeks in a randomized complete block design. All crabs collected in the bags were juvenile C. maenas (1-15 mm carapace width), and numbers of crabs differed 6-fold among treatments, with most crabs present in bags with live oysters (29.5 ± 10.6 m(-2) [mean ± S.D.]) and fewest in bags without shells (4.9 ± 3.7 m(-2)). Both C. maenas and H. sanguineus occurred in habitats with natural structure (cobble rocks). The attraction of juvenile C. maenas to artificial structure consisting of plastic mesh bags containing both oyster shells and living oysters could potentially impact oyster aquaculture operations.

Structural disorder of natural BimSen superlattices grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Springholz, G.; Wimmer, S.; Groiss, H.; Albu, M.; Hofer, F.; Caha, O.; Kriegner, D.; Stangl, J.; Bauer, G.; Holý, V.

2018-05-01

The structure and morphology of BimSen epitaxial layers with compositions ranging from Bi2Se3 to the Bi1Se1 grown by molecular beam epitaxy with different flux compositions are investigated by transmission electron microscopy, high-resolution x-ray diffraction, and atomic force microscopy. It is shown that the lattice structure changes significantly as a function of the beam flux composition, i.e., Se/BiSe flux ratio that determines the stoichiometry of the layers. A perfect Bi2Se3 phase is formed only with a sufficiently high additional Se flux, whereas Bi1Se1 is obtained when only a BiSe compound source without additional Se is used. For intermediate values of the excess Se flux during growth, Bi2Se3 -δ layers are obtained with the Se deficit δ varying between 0 and 1. This Se deficit is accommodated by incorporation of additional Bi-Bi double layers into the Bi2Se3 structure that otherwise exclusively consists of Se-Bi-Se-Bi-Se quintuple layers. While a periodic insertion of such Bi double layers would result in the formation of natural BimSen superlattices, we find that this Bi double-layer insertion is rather stochastic with a high degree of disorder depending on the film composition. Therefore, the structure of such epilayers is better described by a one-dimensional paracrystal model, consisting of disordered sequences of quintuple and double layers rather than by strictly periodic natural superlattices. From detailed analysis of the x-ray diffraction data, we determine the dependence of the lattice parameters a and c and distances of the individual (0001) planes dj as a function of composition, evidencing that only the in-plane lattice parameter a shows a linear dependence on composition. The simulation of the diffraction curves with the random stacking paracrystal model yields an excellent agreement with the experimental data and it brings quantitative information on the randomness of the stacking sequence, which is compared to growth modeling using Monte

Design of Bioactive Peptides from Naturally Occurring μ-Conotoxin Structures*

PubMed Central

Stevens, Marijke; Peigneur, Steve; Dyubankova, Natalia; Lescrinier, Eveline; Herdewijn, Piet; Tytgat, Jan

2012-01-01

To date, cone snail toxins (“conotoxins”) are of great interest in the pursuit of novel subtype-selective modulators of voltage-gated sodium channels (Navs). Navs participate in a wide range of electrophysiological processes. Consequently, their malfunctioning has been associated with numerous diseases. The development of subtype-selective modulators of Navs remains highly important in the treatment of such disorders. In current research, a series of novel, synthetic, and bioactive compounds were designed based on two naturally occurring μ-conotoxins that target Navs. The initial designed peptide contains solely 13 amino acids and was therefore named “Mini peptide.” It was derived from the μ-conotoxins KIIIA and BuIIIC. Based on this Mini peptide, 10 analogues were subsequently developed, comprising 12–16 amino acids with two disulfide bridges. Following appropriate folding and mass verification, blocking effects on Navs were investigated. The most promising compound established an IC50 of 34.1 ± 0.01 nm (R2-Midi on Nav1.2). An NMR structure of one of our most promising compounds was determined. Surprisingly, this structure does not reveal an α-helix. We prove that it is possible to design small peptides based on known pharmacophores of μ-conotoxins without losing their potency and selectivity. These data can provide crucial material for further development of conotoxin-based therapeutics. PMID:22773842

Genetic diversity and population structure of Lactobacillus delbrueckii subspecies bulgaricus isolated from naturally fermented dairy foods

PubMed Central

Song, Yuqin; Sun, Zhihong; Guo, Chenyi; Wu, Yarong; Liu, Wenjun; Yu, Jie; Menghe, Bilige; Yang, Ruifu; Zhang, Heping

2016-01-01

Lactobacillus delbrueckii subsp. bulgaricus is one of the most widely used starter culture strains in industrial fermented dairy manufacture. It is also common in naturally fermented dairy foods made using traditional methods. The subsp. bulgaricus strains found in naturally fermented foods may be useful for improving current industrial starter cultures; however, little is known regarding its genetic diversity and population structure. Here, a collection of 298 L. delbrueckii strains from naturally fermented products in Mongolia, Russia, and West China was analyzed by multi-locus sequence typing based on eight conserved genes. The 251 confirmed subsp. bulgaricus strains produced 106 unique sequence types, the majority of which were assigned to five clonal complexes (CCs). The geographical distribution of CCs was uneven, with CC1 dominated by Mongolian and Russian isolates, and CC2–CC5 isolates exclusively from Xinjiang, China. Population structure analysis suggested six lineages, L1–L6, with various homologous recombination rates. Although L2–L5 were mainly restricted within specific regions, strains belonging to L1 and L6 were observed in diverse regions, suggesting historical transmission events. These results greatly enhance our knowledge of the population diversity of subsp. bulgaricus strains, and suggest that strains from CC1 and L4 may be useful as starter strains in industrial fermentation. PMID:26940047

Structure and mechanical properties of naturally occurring lightweight foam-filled cylinder--the peacock's tail coverts shaft and its components.

PubMed

Liu, Z Q; Jiao, D; Meyers, M A; Zhang, Z F

2015-04-01

Feather shaft, which is primarily featured by a cylinder filled with foam, possesses a unique combination of mechanical robustness and flexibility with a low density through natural evolution and selection. Here the hierarchical structures of peacock's tail coverts shaft and its components are systematically characterized from millimeter to nanometer length scales. The variations in constituent and geometry along the length are examined. The mechanical properties under both dry and wet conditions are investigated. The deformation and failure behaviors and involved strengthening, stiffening and toughening mechanisms are analyzed qualitatively and quantitatively and correlated to the structures. It is revealed that the properties of feather shaft and its components have been optimized through various structural adaptations. Synergetic strengthening and stiffening effects can be achieved in overall rachis owing to increased failure resistance. This study is expected to aid in deeper understandings on the ingenious structure-property design strategies developed by nature, and accordingly, provide useful inspiration for the development of high-performance synthetic foams and foam-filled materials. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Natural and engineered biosynthesis of fluorinated natural products.

PubMed

Walker, Mark C; Chang, Michelle C Y

2014-09-21

Both natural products and synthetic organofluorines play important roles in the discovery and design of pharmaceuticals. The combination of these two classes of molecules has the potential to be useful in the ongoing search for new bioactive compounds but our ability to produce site-selectively fluorinated natural products remains limited by challenges in compatibility between their high structural complexity and current methods for fluorination. Living systems provide an alternative route to chemical fluorination and could enable the production of organofluorine natural products through synthetic biology approaches. While the identification of biogenic organofluorines has been limited, the study of the native organisms and enzymes that utilize these compounds can help to guide efforts to engineer the incorporation of this unusual element into complex pharmacologically active natural products. This review covers recent advances in understanding both natural and engineered production of organofluorine natural products.

3D structure of macropore networks within natural and de-embarked estuary saltmarsh sediments: towards an improved understanding of network structural control over hydrologic function

NASA Astrophysics Data System (ADS)

Carr, Simon; Spencer, Kate; James, Tempest; Lucy, Diggens

2015-04-01

Saltmarshes are globally important environments which, though occupying < 4% of the Earth's surface, provide a range of ecosystem services. Yet, they are threatened by sea level rise, human population growth, urbanization and pollution resulting in degradation. To compensate for this habitat loss many coastal restoration projects have been implemented over the last few decades, largely driven by legislative requirements for improved biodiversity e.g. the EU Habitats Directive and Birds Directive. However, there is growing evidence that restored saltmarshes, recreated through the return to tidal inundation of previously drained and defended low-lying coastal land, do not have the same species composition even after 100 years and while environmental enhancement has been achieved, there may be consequences for ecosystem functioning This study presents the findings of a comparative analysis of detailed sediment structure and hydrological functioning of equivalent natural and de-embanked saltmarsh sediments at Orplands Farm, Essex, UK. 3D x-ray CT scanning of triplicate undisturbed sediment cores recovered in 2013 have been used to derive detailed volumetric reconstructions of macropore structure and networks, and to infer differences in bulk microporosity between natural and de-embanked saltmarshes. These volumes have been further visualised for qualitative analysis of the main sediment components, and extraction of key macropore space parameters for quantified analysis including total porosity and connectivity, as well as structure, organisation and efficiency (tortuosity) of macropore networks. Although total porosity was significantly greater within the de-embanked saltmarsh sediments, pore networks in these samples were less organised and more tortuous, and were also inferred to have significantly lower micro-porosity than those of the natural saltmarsh. These datasets are applied to explain significant differences in the hydraulic behaviour and functioning

Molecular approaches towards development of purified natural products and their structurally known derivatives as efficient anti-cancer drugs: current trends.

PubMed

Saha, Santu Kumar; Khuda-Bukhsh, Anisur Rahman

2013-08-15

Several natural products and their derivatives, either in purified or structurally identified form, exhibit immense pharmacological and biological properties, some of them showing considerable anticancer potential. Although the molecular mechanisms of action of some of these products are yet to be elucidated, extensive research in this area continues to generate new data that are clinically exploitable. Recent advancement in molecular biology, high throughput screening, biomarker identifications, target selection and genomic approaches have enabled us to understand salient interactions of natural products and their derivatives with cancer cells vis-à-vis normal cells. In this review we highlight the recent approaches and application of innovative technologies made to improve quality as well as efficiency of structurally identified natural products and their derivatives, particularly in small molecular forms capable of being used in "targeted therapies" in oncology. These products preferentially involve multiple mechanistic pathways and overcome chemo-resistance in tumor types with cumulative action. We also mention briefly a few physico-chemical features that compare natural products with drugs in recent natural product discovery approaches. We further report here a few purified natural products as examples that provide molecular interventions in cancer therapeutics to give the reader a glimpse of the current trends of approach for discovering useful anticancer drugs. © 2013 Elsevier B.V. All rights reserved.

Population genetic diversity and structure of a naturally isolated plant species, Rhodiola dumulosa (Crassulaceae).

PubMed

Hou, Yan; Lou, Anru

2011-01-01

Rhodiola dumulosa (Crassulaceae) is a perennial diploid species found in high-montane areas. It is distributed in fragmented populations across northern, central and northwestern China. In this study, we aimed to (i) measure the genetic diversity of this species and that of its populations; (ii) describe the genetic structure of these populations across the entire distribution range in China; and (iii) evaluate the extent of gene flow among the naturally fragmented populations. Samples from 1089 individuals within 35 populations of R. dumulosa were collected, covering as much of the entire distribution range of this species within China as possible. Population genetic diversity and structure were analyzed using AFLP molecular markers. Gene flow among populations was estimated according to the level of population differentiation. The total genetic diversity of R. dumulosa was high but decreased with increasing altitude. Population-structure analysis indicated that the most closely related populations were geographically restricted and occurred in close proximity to each other. A significant isolation-by-distance pattern, caused by the naturally fragmented population distribution, was observed. At least two distinct gene pools were found in the 35 sampled populations, one composed of populations in northern China and the other composed of populations in central and northwestern China. The calculation of Nei's gene diversity index revealed that the genetic diversity in the northern China pool (0.1972) was lower than that in the central and northwestern China pool (0.2216). The populations were significantly isolated, and gene flow was restricted throughout the entire distribution. However, gene flow among populations on the same mountain appears to be unrestricted, as indicated by the weak genetic isolation among these populations.

Population Genetic Diversity and Structure of a Naturally Isolated Plant Species, Rhodiola dumulosa (Crassulaceae)

PubMed Central

Hou, Yan; Lou, Anru

2011-01-01

Aims Rhodiola dumulosa (Crassulaceae) is a perennial diploid species found in high-montane areas. It is distributed in fragmented populations across northern, central and northwestern China. In this study, we aimed to (i) measure the genetic diversity of this species and that of its populations; (ii) describe the genetic structure of these populations across the entire distribution range in China; and (iii) evaluate the extent of gene flow among the naturally fragmented populations. Methods Samples from 1089 individuals within 35 populations of R. dumulosa were collected, covering as much of the entire distribution range of this species within China as possible. Population genetic diversity and structure were analyzed using AFLP molecular markers. Gene flow among populations was estimated according to the level of population differentiation. Important Findings The total genetic diversity of R. dumulosa was high but decreased with increasing altitude. Population-structure analysis indicated that the most closely related populations were geographically restricted and occurred in close proximity to each other. A significant isolation-by-distance pattern, caused by the naturally fragmented population distribution, was observed. At least two distinct gene pools were found in the 35 sampled populations, one composed of populations in northern China and the other composed of populations in central and northwestern China. The calculation of Nei's gene diversity index revealed that the genetic diversity in the northern China pool (0.1972) was lower than that in the central and northwestern China pool (0.2216). The populations were significantly isolated, and gene flow was restricted throughout the entire distribution. However, gene flow among populations on the same mountain appears to be unrestricted, as indicated by the weak genetic isolation among these populations. PMID:21909437

Phylogenetic continuum indicates "galaxies" in the protein universe: preliminary results on the natural group structures of proteins.

PubMed

Ladunga, I

1992-04-01

The markedly nonuniform, even systematic distribution of sequences in the protein "universe" has been analyzed by methods of protein taxonomy. Mapping of the natural hierarchical system of proteins has revealed some dense cores, i.e., well-defined clusterings of proteins that seem to be natural structural groupings, possibly seeds for a future protein taxonomy. The aim was not to force proteins into more or less man-made categories by discriminant analysis, but to find structurally similar groups, possibly of common evolutionary origin. Single-valued distance measures between pairs of superfamilies from the Protein Identification Resource were defined by two chi 2-like methods on tripeptide frequencies and the variable-length subsequence identity method derived from dot-matrix comparisons. Distance matrices were processed by several methods of cluster analysis to detect phylogenetic continuum between highly divergent proteins. Only well-defined clusters characterized by relatively unique structural, intracellular environmental, organismal, and functional attribute states were selected as major protein groups, including subsets of viral and Escherichia coli proteins, hormones, inhibitors, plant, ribosomal, serum and structural proteins, amino acid synthases, and clusters dominated by certain oxidoreductases and apolar and DNA-associated enzymes. The limited repertoire of functional patterns due to small genome size, the high rate of recombination, specific features of the bacterial membranes, or of the virus cycle canalize certain proteins of viruses and Gram-negative bacteria, respectively, to organismal groups.

Naturally Occurring Structural Isomers in Serum IgA1 O-Glycosylation

PubMed Central

Takahashi, Kazuo; Smith, Archer D.; Poulsen, Knud; Kilian, Mogens; Julian, Bruce A.; Mestecky, Jiri; Novak, Jan; Renfrow, Matthew B.

2013-01-01

IgA is the most abundantly produced antibody and plays an important role in the mucosal immune system. Human IgA is represented by two isotypes, IgA1 and IgA2. The major structural difference between these two subclasses is the presence of nine potential sites of O-glycosylation in the hinge region between the first and second constant region domains of the heavy chain. Thr225, Thr228, Ser230, Ser232 and Thr236 have been identified as the predominant sites of O-glycan attachment. The range and distribution of O-glycan chains at each site within the context of adjacent sites in this clustered region create a complex heterogeneity of surface epitopes that is incompletely defined. We previously described the analysis of IgA1 O-glycan heterogeneity by use of high resolution LC/MS and electron capture dissociation tandem MS to unambiguously localize all amino acid attachment sites in IgA1 (Ale) myeloma protein. Here, we report the identification and elucidation of IgA1 O-glycopeptide structural isomers that occur based on amino acid position of the attached glycans (positional isomers) and the structure of the O-glycan chains at individual sites (glycan isomers). These isomers are present in a model IgA1 (Mce1) myeloma protein and occur naturally in normal human serum IgA1. Variable O-glycan chains attached to Ser230, Thr233 or Thr236 produce the predominant positional isomers, including O-glycans composed of a single GalNAc residue. These findings represent the first definitive identification of structural isomeric IgA1 O-glycoforms, define the single-site heterogeneity for all O-glycan sites in a single sample, and have implications for defining epitopes based on clustered O-glycan variability. PMID:22067045

[Development of the Feelings toward Nature Scale and relationship between feelings toward nature and proximity to nature].

PubMed

Shibata, Seiji

2016-04-01

In the field of environmental psychology, there is rapidly growing interest in the concept of connectivity with nature, describing an individual's sense of being connected with nature. The author developed a new scale for assessing feelings toward nature, including connectedness. Confirmatory factor analysis indicated a five-factor model consisting of restorativeness, oneness, mystery, care, and aversion. Then, the relationships among availability of nature in respondents' neighborhood, age, and each subscale score of the Feelings toward Nature Scale, were analyzed using structural equation modeling. The availability of nature in neighborhoods was assessed using a geographic information system and respondents' subjective evaluations. Results indicate that overall connectedness to nature is weaker as availability of nature decreases, as assessed by subjective evaluation. Results also suggest that aversion toward nature in younger people is relatively stronger than in older generations.

Structural and affinity studies of IgM polyreactive natural autoantibodies.

PubMed

Diaw, L; Magnac, C; Pritsch, O; Buckle, M; Alzari, P M; Dighiero, G

1997-01-15

Natural polyreactive autoantibodies (NAA) are an important component of the normal B cell repertoire. One intriguing characteristic of these Abs is their binding to various dissimilar Ags. It has been generally assumed that these Abs bind the Ags with low affinity, and are encoded by germline genes. We have used surface plasmon resonance to determine binding of avidities, and conducted a structural analysis of five murine monoclonal natural autoantibodies displaying a typical polyreactive binding pattern against cytoskeleton Ags and DNA. We show that 1) all the five Abs bind the different Ags with kinetic constants similar to those observed for immune Abs; 2) they express a restricted set of V(H) and V(L) genes, since the same V(H) gene is expressed by three out of the five, and one particular Vkappa gene was expressed twice. In addition, a single D gene segment was used by three of the five Abs; and 3) they express, in most cases, genes in a close germline configuration. Our amino acid sequence and modeling studies show that the distribution of exposed side chains in the NAA paratopes is close to the general pattern observed in the complementarity-determining regions (CDRs) of variable domains from immune Abs. Although CDR3 regions of the heavy chain have been postulated to play a major role in determining polyreactivity on the basis of recombinatorial experiments, our results failed to show any distinctive particularity of this region in terms of length or charge when compared with classical immune Abs.

The impact of structural adjustment and the changing nature of women's work in the People's Republic of China.

PubMed

Roy, S

2000-01-01

This paper examines the impact of structural adjustment and the changing nature of women's work in the People's Republic of China (PRC). It is noted that more than two-thirds of the developing countries have adopted structural adjustment policy packages as an answer to the economic crisis they are facing. Such an adjustment is a conscious change in the fundamental nature of economic relationships within a society. In relation to women, the structural changes have resulted to the collapse of many small and home-based industries, thus changing the role of women in economy. It is noted that although the policy shifts have created a wide range of job opportunities for women in other countries, in PRC gender inequalities exist in the economic area wherein women experience low employment and lack of work benefits. In addition, the fact that the rate of women's employment in China is higher than other developing and some developed countries worsens the situation as it indicates that more women suffer under the discriminatory employment system.

Population structure of Lactobacillus helveticus isolates from naturally fermented dairy products based on multilocus sequence typing.

PubMed

Sun, Zhihong; Liu, Wenjun; Song, Yuqin; Xu, Haiyan; Yu, Jie; Bilige, Menghe; Zhang, Heping; Chen, Yongfu

2015-05-01

Lactobacillus helveticus is an economically important lactic acid bacterium used in industrial dairy fermentation. In the present study, the population structure of 245 isolates of L. helveticus from different naturally fermented dairy products in China and Mongolia were investigated using an multilocus sequence typing scheme with 11 housekeeping genes. A total of 108 sequence types were detected, which formed 8 clonal complexes and 27 singletons. Results from Structure, SplitsTree, and ClonalFrame software analyses demonstrated the presence of 3 subpopulations in the L. helveticus isolates used in our study, namely koumiss, kurut-tarag, and panmictic lineages. Most L. helveticus isolates from particular ecological origins had specific population structures. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Natural Frequency Testing and Model Correlation of Rocket Engine Structures in Liquid Hydrogen - Phase I, Cantilever Beam

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; DeLessio, Jennifer L.; Jacobs, Preston W.

2018-01-01

Many structures in the launch vehicle industry operate in liquid hydrogen (LH2), from the hydrogen fuel tanks through the ducts and valves and into the pump sides of the turbopumps. Calculating the structural dynamic response of these structures is critical for successful qualification of this hardware, but accurate knowledge of the natural frequencies is based entirely on numerical or analytical predictions of frequency reduction due to the added-fluid-mass effect because testing in LH2 has always been considered too difficult and dangerous. This fluid effect is predicted to be approximately 4-5% using analytical formulations for simple cantilever beams. As part of a comprehensive test/analysis program to more accurately assess pump inducers operating in LH2, a series of frequency tests in LH2 were performed at NASA/Marshall Space Flight Center's unique cryogenic test facility. These frequency tests are coupled with modal tests in air and water to provide critical information not only on the mass effect of LH2, but also the cryogenic temperature effect on Young's Modulus for which the data is not extensive. The authors are unaware of any other reported natural frequency testing in this media. In addition to the inducer, a simple cantilever beam was also tested in the tank to provide a more easily modeled geometry as well as one that has an analytical solution for the mass effect. This data will prove critical for accurate structural dynamic analysis of these structures, which operate in a highly-dynamic environment.

Genetic structure and diversity in natural and stocked populations of the mandarin fish (Siniperca chuatsi) in China.

PubMed

Yang, M; Tian, C; Liang, X-F; Zheng, H; Zhao, C; Zhu, K

2015-05-18

The Chinese perch, or mandarin fish (Siniperca chuatsi), is a freshwater fish that is endemic to East Asia. In this study, we investigated the genetic diversity and structure of nine natural mandarin fish populations (from the Yangtze River and Amur River basins) and six hatchery stocks (from central and south China) using microsatellite markers. The results show that the genetic diversity of the Yangtze River populations was high and stable, and genetic differences between them were not significant. In contrast, a low level of genetic diversity and strong genetic structure were detected in the Amur River population. These results suggest that the Yangtze River region and the Amur River region should be treated as two separate units in conservation programs. The hatchery stocks exhibited low genetic diversity and significant genetic differentiation compared to natural populations; this may result in a significant impact on the species if escape events occur. Therefore, a scientific aquaculture management strategy is necessary for the long-term development of hatcheries.

Intermediate-phase method for computing the natural band offset between two materials with dissimilar structures

NASA Astrophysics Data System (ADS)

Gu, Hui-Jun; Zhang, Yue-Yu; Chen, Shi-You; Xiang, Hong-Jun; Gong, Xin-Gao

2018-06-01

The band offset between different semiconductors is an important physical quantity determining carrier transport properties near the interface in heterostructure devices. Computation of the natural band offset is a longstanding challenge. We propose an intermediate-phase method to predict the natural band offset between two structures with different symmetry, for which the superlattice model cannot be directly constructed. With this method and the intermediate phases obtained by our searching algorithm, we successfully calculate the natural band offsets for two representative systems: (i) zinc-blende CdTe and wurtzite CdS and (ii) diamond and graphite. The calculation shows that the valence band maximum (VBM) of zinc-blende CdTe lies 0.71 eV above that of wurtzite CdS, close to the result 0.76 eV obtained by the three-step method. For the natural band offset between diamond and graphite which could not be computed reliably with any superlattice methods, our calculation shows that the Fermi level of graphite lies 1.51 eV above the VBM of diamond using an intermediate phase. This method, under the assumption that the transitivity rule is valid, can be used to calculate the band offsets between any semiconductors with different symmetry on condition that the intermediate phase is reasonably designed.

Analyzing landscape changes in the Bafa Lake Nature Park of Turkey using remote sensing and landscape structure metrics.

PubMed

Esbah, Hayriye; Deniz, Bulent; Kara, Baris; Kesgin, Birsen

2010-06-01

Bafa Lake Nature Park is one of Turkey's most important legally protected areas. This study aimed at analyzing spatial change in the park environment by using object-based classification technique and landscape structure metrics. SPOT 2X (1994) and ASTER (2005) images are the primary research materials. Results show that artificial surfaces, low maqui, garrigue, and moderately high maqui covers have increased and coniferous forests, arable lands, permanent crop, and high maqui covers have decreased; coniferous forest, high maqui, grassland, and saline areas are in a disappearance stage of the land transformation; and the landscape pattern is more fragmented outside the park boundaries. The management actions should support ongoing vegetation regeneration, mitigate transformation of vegetation structure to less dense and discontinuous cover, control the dynamics at the agricultural-natural landscape interface, and concentrate on relatively low but steady increase of artificial surfaces.

Reassigning the Structures of Natural Products Using NMR Chemical Shifts Computed with Quantum Mechanics: A Laboratory Exercise

ERIC Educational Resources Information Center

Palazzo, Teresa A.; Truong, Tiana T.; Wong, Shirley M. T.; Mack, Emma T.; Lodewyk, Michael W.; Harrison, Jason G.; Gamage, R. Alan; Siegel, Justin B.; Kurth, Mark J.; Tantillo, Dean J.

2015-01-01

An applied computational chemistry laboratory exercise is described in which students use modern quantum chemical calculations of chemical shifts to assign the structure of a recently isolated natural product. A pre/post assessment was used to measure student learning gains and verify that students demonstrated proficiency of key learning…

Natural vacuum electronics

NASA Technical Reports Server (NTRS)

Leggett, Nickolaus

1990-01-01

The ambient natural vacuum of space is proposed as a basis for electron valves. Each valve is an electron controlling structure similiar to a vacuum tube that is operated without a vacuum sustaining envelope. The natural vacuum electron valves discussed offer a viable substitute for solid state devices. The natural vacuum valve is highly resistant to ionizing radiation, system generated electromagnetic pulse, current transients, and direct exposure to space conditions.

Unique Conformation in a Natural Interruption Sequence of Type XIX Collagen Revealed by Its High-Resolution Crystal Structure.

PubMed

Xu, Tingting; Zhou, Cong-Zhao; Xiao, Jianxi; Liu, Jinsong

2018-02-20

Naturally occurring interruptions in nonfibrillar collagen play key roles in molecular flexibility, collagen degradation, and ligand binding. The structural feature of the interruption sequences and the molecular basis for their functions have not been well studied. Here, we focused on a G5G type natural interruption sequence G-POALO-G from human type XIX collagen, a homotrimer collagen, as this sequence possesses distinct properties compared with those of a pathological similar Gly mutation sequence in collagen mimic peptides. We determined the crystal structures of the host-guest peptide (GPO) 3 -GPOALO-(GPO) 4 to 1.03 Å resolution in two crystal forms. In these structures, the interruption zone brings localized disruptions to the triple helix and introduces a light 6-8° bend with the same directional preference to the whole molecule, which may correspond structurally to the first physiological kink site in type XIX collagen. Furthermore, at the G5G interruption site, the presence of Ala and Leu residues, both with free N-H groups, allows the formation of more direct and water-mediated interchain hydrogen bonds than in the related Gly → Ala structure. These could partly explain the difference in thermal stability between the different interruptions. In addition, our structures provide a detailed view of the dynamic property of such an interrupted zone with respect to hydrogen bonding topology, torsion angles, and helical parameters. Our results, for the first time, also identified the binding of zinc to the end of the triple helix. These findings will shed light on how the interruption sequence influences the conformation of the collagen molecule and provide a structural basis for further functional studies.

A laser-engraved glass duplicating the structure, mechanics and performance of natural nacre.

PubMed

Valashani, Seyed Mohammad Mirkhalaf; Barthelat, Francois

2015-03-30

Highly mineralized biological materials such as nacre (mother of pearl), tooth enamel or conch shell boast unique and attractive combinations of stiffness, strength and toughness. The structures of these biological materials and their associated mechanisms are now inspiring new types of advanced structural materials. However, despite significant efforts, no bottom up fabrication method could so far match biological materials in terms of microstructural organization and mechanical performance. Here we present a new 'top down' strategy to tackling this fabrication problem, which consists in carving weak interfaces within a brittle material using a laser engraving technique. We demonstrate the method by fabricating and testing borosilicate glasses containing nacre-like microstructures infiltrated with polyurethane. When deformed, these materials properly duplicate the mechanisms of natural nacre: combination of controlled sliding of the tablets, accompanied with geometric hardening, strain hardening and strain rate hardening. The nacre-like glass is composed of 93 volume % (vol%) glass, yet 700 times tougher and breaks at strains as high as 20%.

Abundance of non-native crabs in intertidal habitats of New England with natural and artificial structure

PubMed Central

Lovely, Christina M.; Judge, Michael L.

2015-01-01

Marine habitats containing complex physical structure (e.g., crevices) can provide shelter from predation for benthic invertebrates. To examine effects of natural and artificial structure on the abundance of intertidal juvenile crabs, 2 experiments were conducted in Kingston Bay, Massachusetts, USA, from July to September, 2012. In the first experiment, structure was manipulated in a two-factor design that was placed in the high intertidal for 3 one-week periods to test for both substrate type (sand vs. rock) and the presence or absence of artificial structure (mesh grow-out bags used in aquaculture, ∼0.5 m2 with 62 mm2 mesh openings). The Asian shore crab, Hemigrapsus sanguineus, and small individuals of the green crab, Carcinus maenas, were observed only in the treatments of rocks and mesh bag plus rocks. Most green crabs were small (<6 mm in carapace width) whereas H. sanguineus occurred in a wide range of sizes. In the second experiment, 3 levels of oyster-shell treatments were established using grow-out bags placed on a muddy sand substrate in the low intertidal zone: mesh grow-out bags without shells, grow-out bags with oyster shells, and grow-out bags containing live oysters. Replicate bags were deployed weekly for 7 weeks in a randomized complete block design. All crabs collected in the bags were juvenile C. maenas (1–15 mm carapace width), and numbers of crabs differed 6-fold among treatments, with most crabs present in bags with live oysters (29.5 ± 10.6 m−2 [mean ± S.D.]) and fewest in bags without shells (4.9 ± 3.7 m−2). Both C. maenas and H. sanguineus occurred in habitats with natural structure (cobble rocks). The attraction of juvenile C. maenas to artificial structure consisting of plastic mesh bags containing both oyster shells and living oysters could potentially impact oyster aquaculture operations. PMID:26401456

Exploring how organic matter controls structural transformations in natural aquatic nanocolloidal dispersions.

PubMed

King, Stephen M; Jarvie, Helen P

2012-07-03

The response of the dispersion nanostructure of surface river bed sediment to the controlled removal and readdition of natural organic matter (NOM), in the absence and presence of background electrolyte, was examined using the technique of small-angle neutron scattering (SANS). Partial NOM removal induced aggregation of the mineral particles, but more extensive NOM removal restored colloidal stability. When peat humic acid (PHA) was added to a NOM-deficient sediment concentration-related structural transformations were observed: at 255 mg/L PHA aggregation of the nanocolloid was actually enhanced, but at 380 mg/L PHA disaggregation and colloidal stability were promoted. The addition of 2 mM CaCl(2) induced mild aggregation in the native sediment but not in sediments with added PHA, suggesting that the native NOM and the PHA respond differently to changes in ionic strength. A first attempt at using SANS to directly characterize the thickness and coverage of an adsorbed PHA layer in a natural nanocolloid is also presented. The results are discussed in the context of a hierarchical aquatic colloidal nanostructure, and the implications for contemporary studies of the role of dissolved organic carbon (DOC) in sustaining the transport of colloidal iron in upland catchments.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

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

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic x-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our findings confirm the displacive nature of the cubic-to-tetragonal phase transition, which is further shown, using neutron and x-ray diffraction, to be close to a tricritical point. Lastly, we detect quasistatic symmetry-breaking nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These findings reveal key structural properties of these materials, and also bearmore » important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Structure, function and management of semi-natural habitats for conservation biological control: a review of European studies.

PubMed

Holland, John M; Bianchi, Felix Jja; Entling, Martin H; Moonen, Anna-Camilla; Smith, Barbara M; Jeanneret, Philippe

2016-09-01

Different semi-natural habitats occur on farmland, and it is the vegetation's traits and structure that subsequently determine their ability to support natural enemies and their associated contribution to conservation biocontrol. New habitats can be created and existing ones improved with agri-environment scheme funding in all EU member states. Understanding the contribution of each habitat type can aid the development of conservation control strategies. Here we review the extent to which the predominant habitat types in Europe support natural enemies, whether this results in enhanced natural enemy densities in the adjacent crop and whether this leads to reduced pest densities. Considerable variation exists in the available information for the different habitat types and trophic levels. Natural enemies within each habitat were the most studied, with less information on whether they were enhanced in adjacent fields, while their impact on pests was rarely investigated. Most information was available for woody and herbaceous linear habitats, yet not for woodland which can be the most common semi-natural habitat in many regions. While the management and design of habitats offer potential to stimulate conservation biocontrol, we also identified knowledge gaps. A better understanding of the relationship between resource availability and arthropod communities across habitat types, the spatiotemporal distribution of resources in the landscape and interactions with other factors that play a role in pest regulation could contribute to an informed management of semi-natural habitats for biocontrol. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Three-dimensional nature of the band structure of ZrTe 5 measured by high-momentum-resolution photoemission spectroscopy [3D nature ZrTe 5 band structure measured by high-momentum-resolution photoemission spectroscopy

DOE PAGES

Xiong, H.; Sobota, J. A.; Yang, S. -L.; ...

2017-05-10

Here, we have performed a systematic high-momentum-resolution photoemission study on ZrTe 5 using 6-eV photon energy. We have measured the band structure near the Γ point, and quantified the gap between the conduction and valence band as 18 ≤ Δ ≤ 29 meV. We have also observed photon-energy-dependent behavior attributed to final-state effects and the three-dimensional (3D) nature of the material's band structure. Our interpretation indicates the gap is intrinsic and reconciles discrepancies on the existence of a topological surface state reported by different studies. The existence of a gap suggests that ZrTe 5 is not a 3D strong topologicalmore » insulator nor a 3D Dirac semimetal. Therefore, our experiment is consistent with ZrTe 5 being a 3D weak topological insulator.« less

Three-dimensional nature of the band structure of ZrTe 5 measured by high-momentum-resolution photoemission spectroscopy [3D nature ZrTe 5 band structure measured by high-momentum-resolution photoemission spectroscopy

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

Xiong, H.; Sobota, J. A.; Yang, S. -L.

Here, we have performed a systematic high-momentum-resolution photoemission study on ZrTe 5 using 6-eV photon energy. We have measured the band structure near the Γ point, and quantified the gap between the conduction and valence band as 18 ≤ Δ ≤ 29 meV. We have also observed photon-energy-dependent behavior attributed to final-state effects and the three-dimensional (3D) nature of the material's band structure. Our interpretation indicates the gap is intrinsic and reconciles discrepancies on the existence of a topological surface state reported by different studies. The existence of a gap suggests that ZrTe 5 is not a 3D strong topologicalmore » insulator nor a 3D Dirac semimetal. Therefore, our experiment is consistent with ZrTe 5 being a 3D weak topological insulator.« less

Informational structure of genetic sequences and nature of gene splicing

NASA Astrophysics Data System (ADS)

Trifonov, E. N.

1991-10-01

Only about 1/20 of DNA of higher organisms codes for proteins, by means of classical triplet code. The rest of DNA sequences is largely silent, with unclear functions, if any. The triplet code is not the only code (message) carried by the sequences. There are three levels of molecular communication, where the same sequence ``talks'' to various bimolecules, while having, respectively, three different appearances: DNA, RNA and protein. Since the molecular structures and, hence, sequence specific preferences of these are substantially different, the original DNA sequence has to carry simultaneously three types of sequence patterns (codes, messages), thus, being a composite structure in which one had the same letter (nucleotide) is frequently involved in several overlapping codes of different nature. This multiplicity and overlapping of the codes is a unique feature of the Gnomic, language of genetic sequences. The coexisting codes have to be degenerate in various degrees to allow an optimal and concerted performance of all the encoded functions. There is an obvious conflict between the best possible performance of a given function and necessity to compromise the quality of a given sequence pattern in favor of other patterns. It appears that the major role of various changes in the sequences on their ``ontogenetic'' way from DNA to RNA to protein, like RNA editing and splicing, or protein post-translational modifications is to resolve such conflicts. New data are presented strongly indicating that the gene splicing is such a device to resolve the conflict between the code of DNA folding in chromatin and the triplet code for protein synthesis.

Large-Scale Coherent Flow Structures in a Natural Braided Reach Section of a Gravel-Bed River

DTIC Science & Technology

2011-06-01

FLOW STRUCTURES IN A NATURAL BRAIDED REACH SECTION OF A GRAVEL- BED RIVER by William F. Ashley June 2011 Thesis Advisor: Jamie MacMahan...William F. Ashley Approved by: Jamie MacMahan Thesis Advisor Edward Thornton Second Reader Jeffrey D. Paduan Chairman...and gratitude to Professor Jamie MacMahan for his guidance and patience. I feel fortunate to have been your student. I thank Professor Ed

Sediment bacterial community structures and their predicted functions implied the impacts from natural processes and anthropogenic activities in coastal area.

PubMed

Su, Zhiguo; Dai, Tianjiao; Tang, Yushi; Tao, Yile; Huang, Bei; Mu, Qinglin; Wen, Donghui

2018-06-01

Coastal ecosystem structures and functions are changing under natural and anthropogenic influences. In this study, surface sediment samples were collected from disturbed zone (DZ), near estuary zone (NEZ), and far estuary zone (FEZ) of Hangzhou Bay, one of the most seriously polluted bays in China. The bacterial community structures and predicted functions varied significantly in different zones. Firmicutes were found most abundantly in DZ, highlighting the impacts of anthropogenic activities. Sediment total phosphorus was most influential on the bacterial community structures. Predicted by PICRUSt analysis, DZ significantly exceeded FEZ and NEZ in the subcategory of Xenobiotics Biodegradation and Metabolism; and DZ enriched all the nitrate reduction related genes, except nrfA gene. Seawater salinity and inorganic nitrogen, respectively as the representative natural and anthropogenic factor, performed exact-oppositely in nitrogen metabolism functions. The changes of bacterial community compositions and predicted functions provide a new insight into human-induced pollution impacts on coastal ecosystem. Copyright © 2018 Elsevier Ltd. All rights reserved.

Allium To Zircon: Mathematics and Nature.

ERIC Educational Resources Information Center

Harrell, Marvin E.; Fosnaugh, Linda S.

1997-01-01

Discusses how nature can illustrate mathematical structures and concepts in the classroom. For example, the upper surface of a typical leaf structure illustrates the notion of tessellating with polygons. Also lists classroom applications and hands-on activities such as growing crystals to investigate the natural forms of polyhedra and measuring…

Structure of naturally hydrated ferrihydrite revealed through neutron diffraction and first-principles modeling

NASA Astrophysics Data System (ADS)

Chappell, Helen F.; Thom, William; Bowron, Daniel T.; Faria, Nuno; Hasnip, Philip J.; Powell, Jonathan J.

2017-08-01

Ferrihydrite, with a ``two-line'' x-ray diffraction pattern (2L-Fh), is the most amorphous of the iron oxides and is ubiquitous in both terrestrial and aquatic environments. It also plays a central role in the regulation and metabolism of iron in bacteria, algae, higher plants, and animals, including humans. In this study, we present a single-phase model for ferrihydrite that unifies existing analytical data while adhering to fundamental chemical principles. The primary particle is small (20-50 Å) and has a dynamic and variably hydrated surface, which negates long-range order; collectively, these features have hampered complete characterization and frustrated our understanding of the mineral's reactivity and chemical/biochemical function. Near and intermediate range neutron diffraction (NIMROD) and first-principles density functional theory (DFT) were employed in this study to generate and interpret high-resolution data of naturally hydrated, synthetic 2L-Fh at standard temperature. The structural optimization overcomes transgressions of coordination chemistry inherent within previously proposed structures, to produce a robust and unambiguous single-phase model.

Structure-activity relationships of flavonoids as natural inhibitors against E. coli β-glucuronidase.

PubMed

Weng, Zi-Miao; Wang, Ping; Ge, Guang-Bo; Dai, Zi-Ru; Wu, Da-Chang; Zou, Li-Wei; Dou, Tong-Yi; Zhang, Tong-Yan; Yang, Ling; Hou, Jie

2017-11-01

Bacterial β-glucuronidases play key roles in the deconjugation of a variety of endogenous and drug glucuronides, thus have been recognized as important targets to modulate the enterohepatic circulation of various glucuronides. In this study, more than 30 natural flavonoids were collected and their inhibitory effects against E. coli β-glucuronidase (EcGUS) were assayed. The results demonstrated that some flavonoids including scutellarein, luteolin, baicalein, quercetin and scutellarin displayed strong to moderate inhibitory effects against EcGUS, with the IC 50 values ranging from 5.76 μM to 29.64 μM, while isoflavones and dihydroflavones displayed weak inhibitory effects against EcGUS. Further investigation on inhibition kinetics revealed that scutellarein and luteolin functioned as potent competitive inhibitors against EcGUS-mediated PNPG hydrolysis, with the K i values less than 3.0 μM. Molecular docking simulations demonstrated that scutellarein and luteolin could be well-docked into the catalytic site of EcGUS, while the binding areas of these two natural inhibitors on EcGUS were highly overlapped with that of PNPG on EcGUS. Additionally, the structure-inhibition relationships of natural flavonoids against EcGUS are also summarized, which will be very helpful for the medicinal chemists to design and develop more potent flavonoid-type inhibitors against EcGUS. Copyright © 2017 Elsevier Ltd. All rights reserved.

Distance geometry protocol to generate conformations of natural products to structurally interpret ion mobility-mass spectrometry collision cross sections.

PubMed

Stow, Sarah M; Goodwin, Cody R; Kliman, Michal; Bachmann, Brian O; McLean, John A; Lybrand, Terry P

2014-12-04

Ion mobility-mass spectrometry (IM-MS) allows the separation of ionized molecules based on their charge-to-surface area (IM) and mass-to-charge ratio (MS), respectively. The IM drift time data that is obtained is used to calculate the ion-neutral collision cross section (CCS) of the ionized molecule with the neutral drift gas, which is directly related to the ion conformation and hence molecular size and shape. Studying the conformational landscape of these ionized molecules computationally provides interpretation to delineate the potential structures that these CCS values could represent, or conversely, structural motifs not consistent with the IM data. A challenge in the IM-MS community is the ability to rapidly compute conformations to interpret natural product data, a class of molecules exhibiting a broad range of biological activity. The diversity of biological activity is, in part, related to the unique structural characteristics often observed for natural products. Contemporary approaches to structurally interpret IM-MS data for peptides and proteins typically utilize molecular dynamics (MD) simulations to sample conformational space. However, MD calculations are computationally expensive, they require a force field that accurately describes the molecule of interest, and there is no simple metric that indicates when sufficient conformational sampling has been achieved. Distance geometry is a computationally inexpensive approach that creates conformations based on sampling different pairwise distances between the atoms within the molecule and therefore does not require a force field. Progressively larger distance bounds can be used in distance geometry calculations, providing in principle a strategy to assess when all plausible conformations have been sampled. Our results suggest that distance geometry is a computationally efficient and potentially superior strategy for conformational analysis of natural products to interpret gas-phase CCS data.

Distance Geometry Protocol to Generate Conformations of Natural Products to Structurally Interpret Ion Mobility-Mass Spectrometry Collision Cross Sections

PubMed Central

2015-01-01

Ion mobility-mass spectrometry (IM-MS) allows the separation of ionized molecules based on their charge-to-surface area (IM) and mass-to-charge ratio (MS), respectively. The IM drift time data that is obtained is used to calculate the ion-neutral collision cross section (CCS) of the ionized molecule with the neutral drift gas, which is directly related to the ion conformation and hence molecular size and shape. Studying the conformational landscape of these ionized molecules computationally provides interpretation to delineate the potential structures that these CCS values could represent, or conversely, structural motifs not consistent with the IM data. A challenge in the IM-MS community is the ability to rapidly compute conformations to interpret natural product data, a class of molecules exhibiting a broad range of biological activity. The diversity of biological activity is, in part, related to the unique structural characteristics often observed for natural products. Contemporary approaches to structurally interpret IM-MS data for peptides and proteins typically utilize molecular dynamics (MD) simulations to sample conformational space. However, MD calculations are computationally expensive, they require a force field that accurately describes the molecule of interest, and there is no simple metric that indicates when sufficient conformational sampling has been achieved. Distance geometry is a computationally inexpensive approach that creates conformations based on sampling different pairwise distances between the atoms within the molecule and therefore does not require a force field. Progressively larger distance bounds can be used in distance geometry calculations, providing in principle a strategy to assess when all plausible conformations have been sampled. Our results suggest that distance geometry is a computationally efficient and potentially superior strategy for conformational analysis of natural products to interpret gas-phase CCS data. PMID:25360896

[Etiological structure of complex Ixodes tickborne borreliosis natural foci of southern taiga].

PubMed

Korenberg, É I; Nefedova, V V; Gorelova, N B; Kovalevskiĭ, Iu V; Fadeeva, I A; Golubova, D A

2011-01-01

89 primary isolates of B. garinii and 72 B. afzelii from different developmental phases of I. persulcatus, I. trianguliceps and form small mammalian hosts of Borrelia were obtained at an area of ca. 30 km2 located in low-mountain southern taiga forests (Perm region). The area provides home for two Borrelia species (B. garinii and B. afzeli) and their natural carrier Ixodes persulcatus. 23 isolate of B.garnii were obtained from skin biopsies and blood samples taken in patients with borreliosis. The isolates were studied by sequencing rrf(5S)-rrr(23S) spacer. The term genetic variant (genovariant) is proposed for the totality of isolates belonging to a given genetic subgroup of the concrete genospecies and having a similar nucleotide sequence of rrf(5S)-rrr(23S) spacer or other conservative genomic sequence. Genovariant is ths smallest intraspecies taxonomic unit in widespread Borrelia pathogenic for man. Several genovariants of B. garinii and B. afzelii may simultaneously occur in combined parasitic systems formed by these spirochetal agents of Ixodes tick-borne borreliosis. Such natural foci in southern taiga of the Perm region have a complicated etiological structure due to the presence of 14 genovariants of Borrelia belonging to the two above genetic subgroups. Specific genovariants occur annually but with different frequency. They are lacking in host-specificity.

[Study on structure and phase transformation laws of natural FeS2 whisker by Raman spectroscopy].

PubMed

Huang, Fei; Kou, Da-Ming; Yao, Yu-Zeng; Ni, Pei; Ding, Jun-Ying

2009-08-01

FeS2 belongs to sulfide, including pyrite of isometric system and marcasite of orthorhombic system. The FeS2 discovered in Gengzhuang, Shanxi Province, was growing in the form of whisker. The study with scanning electron microscopy and electron probe show that the mineral components of FeS2 vary regularly. The structure of natural nano-micron FeS2 whisker was determined by micro-Raman spectroscopy. The results show that there exist two types of structure in FeS2 whiskers: pyrite and marcasite. Marcasite presents irregular shapes, such as coarse lotus root joints, crude columnar or beaded. Pyrite exists in the shape of straight line and smooth surface. In the early growing stage, Gengzhuang FeS2 whisker was mainly marcasite-type structure; in the middle stage it was coexistent structure of pyrite- and marcasite-type; in the late stage it was mainly pyrite-type. The growing stages of the whisker FeS2 show the phase transformation laws. Moreover, during the growing process marcasite was growing with pyrite coated on. Study on FeS2 whisker structure shows that there are correlations between phase transformation laws of the structure and forms, and between the forming time and the composition characteristics.

Structural and energetic basis for the molecular recognition of dual synthetic vs. natural inhibitors of EGFR/HER2.

PubMed

Bello, Martiniano; Saldaña-Rivero, Lucia; Correa-Basurto, José; García, Benjamín; Sánchez-Espinosa, Victor Armando

2018-05-01

Activation of EGFR starts by ligand binding at the extracellular domain which results in homo and heterodimerization, leading to phosphorylation, activation of downstream signaling pathways which upregulate expression of genes, proliferation and angiogenesis. Abnormalities in the expression of EGFR play a critical role in the development of different types of cancer. HER2 is the preferred heterodimerization partner for EGFR; this biological characteristic together with the high percentage of structural homology has been exploited in the design of dual synthetic inhibitors against EGFR/HER2. Herein we combined structural data and molecular dynamics (MD) simulations coupled to an MMGBSA approach to provide insight into the binding mechanism between two dual synthetics (lapatinib and TAK-285) and one dual natural inhibitor (EGCG) which target EGFR/HER2. In addition, we proposed some EGCG derivatives which were filtered through in silico screening. Structural analysis demonstrated that the coupling of synthetic, natural or newly designed compounds impacts the conformational space of EGFR and HER2 differently. Energetic analysis points out that lapatinib and TAK-285 have better affinity for inactive EGFR than the active EGFR state or HER2, whereas some EGCG derivatives seem to form binding affinities similar to those observed for lapatinib or TAK-285. Copyright © 2018 Elsevier B.V. All rights reserved.

Using the structure of natural scenes and sounds to predict neural response properties in the brain

NASA Astrophysics Data System (ADS)

Deweese, Michael

2014-03-01

The natural scenes and sounds we encounter in the world are highly structured. The fact that animals and humans are so efficient at processing these sensory signals compared with the latest algorithms running on the fastest modern computers suggests that our brains can exploit this structure. We have developed a sparse mathematical representation of speech that minimizes the number of active model neurons needed to represent typical speech sounds. The model learns several well-known acoustic features of speech such as harmonic stacks, formants, onsets and terminations, but we also find more exotic structures in the spectrogra representation of sound such as localized checkerboard patterns and frequency-modulated excitatory subregions flanked by suppressive sidebands. Moreover, several of these novel features resemble neuronal receptive fields reported in the Inferior Colliculus (IC), as well as auditory thalamus (MGBv) and primary auditory cortex (A1), and our model neurons exhibit the same tradeoff in spectrotemporal resolution as has been observed in IC. To our knowledge, this is the first demonstration that receptive fields of neurons in the ascending mammalian auditory pathway beyond the auditory nerve can be predicted based on coding principles and the statistical properties of recorded sounds. We have also developed a biologically-inspired neural network model of primary visual cortex (V1) that can learn a sparse representation of natural scenes using spiking neurons and strictly local plasticity rules. The representation learned by our model is in good agreement with measured receptive fields in V1, demonstrating that sparse sensory coding can be achieved in a realistic biological setting.

Environmental effects on natural frequencies of the San Pietro bell tower in Perugia, Italy, and their removal for structural performance assessment

NASA Astrophysics Data System (ADS)

Ubertini, Filippo; Comanducci, Gabriele; Cavalagli, Nicola; Laura Pisello, Anna; Luigi Materazzi, Annibale; Cotana, Franco

2017-01-01

Continuously identified natural frequencies of vibration can provide unique information for low-cost automated condition assessment of civil constructions and infrastructures. However, the effects of changes in environmental parameters, such as temperature and humidity, need to be effectively investigated and accurately removed from identified frequency data for an effective performance assessment. This task is particularly challenging in the case of historical constructions that are typically massive and heterogeneous masonry structures characterized by complex variations of materials' properties with varying environmental parameters and by a differential heat conduction process where thermal capacity plays a major role. While there is abundance of documented monitoring data highlighting correlations between environmental parameters and natural frequencies in the case of new structures, such as long-span bridges, similar studies for historical constructions are still missing, with only a few literature works occasionally reporting increments in natural frequencies with increasing temperature of construction materials due to the closure of internal micro-cracks in the mortar layers caused by thermal expansion. In order to gain some knowledge on the effects of changes in temperature and humidity on the natural frequencies of slender masonry buildings, the paper focuses on the case study of an Italian monumental bell tower that has been monitored by the authors for more than nine months. Correlations between natural frequencies and environmental parameters are investigated in detail and the predictive capabilities of linear statistical regressive models based on the use of several environmental continuous monitoring sensors are assessed. At the end, three basic mechanisms governing environmentally-induced changes in the dynamic behavior of the tower are identified and essential information is achieved on the optimal location and minimum number of environmental

Community structure and succession regulation of fungal consortia in the lignocellulose-degrading process on natural biomass.

PubMed

Tian, Baoyu; Wang, Chunxiang; Lv, Ruirui; Zhou, Junxiong; Li, Xin; Zheng, Yi; Jin, Xiangyu; Wang, Mengli; Ye, Yongxia; Huang, Xinyi; Liu, Ping

2014-01-01

The study aims to investigate fungal community structures and dynamic changes in forest soil lignocellulose-degrading process. rRNA gene clone libraries for the samples collected in different stages of lignocellulose degradation process were constructed and analyzed. A total of 26 representative RFLP types were obtained from original soil clone library, including Mucoromycotina (29.5%), unclassified Zygomycetes (33.5%), Ascomycota (32.4%), and Basidiomycota (4.6%). When soil accumulated with natural lignocellulose, 16 RFLP types were identified from 8-day clone library, including Basidiomycota (62.5%), Ascomycota (36.1%), and Fungi incertae sedis (1.4%). After enrichment for 15 days, identified 11 RFLP types were placed in 3 fungal groups: Basidiomycota (86.9%), Ascomycota (11.5%), and Fungi incertae sedis (1.6%). The results showed richer, more diversity and abundance fungal groups in original forest soil. With the degradation of lignocellulose, fungal groups Mucoromycotina and Ascomycota decreased gradually, and wood-rotting fungi Basidiomycota increased and replaced the opportunist fungi to become predominant group. Most of the fungal clones identified in sample were related to the reported lignocellulose-decomposing strains. Understanding of the microbial community structure and dynamic change during natural lignocellulose-degrading process will provide us with an idea and a basis to construct available commercial lignocellulosic enzymes or microbial complex.

Mechanical adaptability of the Bouligand-type structure in natural dermal armour

NASA Astrophysics Data System (ADS)

Zimmermann, Elizabeth A.; Gludovatz, Bernd; Schaible, Eric; Dave, Neil K. N.; Yang, Wen; Meyers, Marc A.; Ritchie, Robert O.

2013-10-01

Arapaima gigas, a fresh water fish found in the Amazon Basin, resist predation by piranhas through the strength and toughness of their scales, which act as natural dermal armour. Arapaima scales consist of a hard, mineralized outer shell surrounding a more ductile core. This core region is composed of aligned mineralized collagen fibrils arranged in distinct lamellae. Here we show how the Bouligand-type (twisted plywood) arrangement of collagen fibril lamellae has a key role in developing their unique protective properties, by using in situ synchrotron small-angle X-ray scattering during mechanical tensile tests to observe deformation mechanisms in the fibrils. Specifically, the Bouligand-type structure allows the lamellae to reorient in response to the loading environment; remarkably, most lamellae reorient towards the tensile axis and deform in tension through stretching/sliding mechanisms, whereas other lamellae sympathetically rotate away from the tensile axis and compress, thereby enhancing the scale’s ductility and toughness to prevent fracture.

Mechanical adaptability of the Bouligand-type structure in natural dermal armour.

PubMed

Zimmermann, Elizabeth A; Gludovatz, Bernd; Schaible, Eric; Dave, Neil K N; Yang, Wen; Meyers, Marc A; Ritchie, Robert O

2013-01-01

Arapaima gigas, a fresh water fish found in the Amazon Basin, resist predation by piranhas through the strength and toughness of their scales, which act as natural dermal armour. Arapaima scales consist of a hard, mineralized outer shell surrounding a more ductile core. This core region is composed of aligned mineralized collagen fibrils arranged in distinct lamellae. Here we show how the Bouligand-type (twisted plywood) arrangement of collagen fibril lamellae has a key role in developing their unique protective properties, by using in situ synchrotron small-angle X-ray scattering during mechanical tensile tests to observe deformation mechanisms in the fibrils. Specifically, the Bouligand-type structure allows the lamellae to reorient in response to the loading environment; remarkably, most lamellae reorient towards the tensile axis and deform in tension through stretching/sliding mechanisms, whereas other lamellae sympathetically rotate away from the tensile axis and compress, thereby enhancing the scale's ductility and toughness to prevent fracture.

Natural and artificial binders of polyriboadenylic acid and their effect on RNA structure.

PubMed

Roviello, Giovanni N; Musumeci, Domenica; Roviello, Valentina; Pirtskhalava, Marina; Egoyan, Alexander; Mirtskhulava, Merab

2015-01-01

The employment of molecular tools with nucleic acid binding ability to specifically control crucial cellular functions represents an important scientific area at the border between biochemistry and pharmaceutical chemistry. In this review we describe several molecular systems of natural or artificial origin, which are able to bind polyriboadenylic acid (poly(rA)) both in its single-stranded or structured forms. Due to the fundamental role played by the poly(rA) tail in the maturation and stability of mRNA, as well as in the initiation of the translation process, compounds able to bind this RNA tract, influencing the mRNA fate, are of special interest for developing innovative biomedical strategies mainly in the field of anticancer therapy.

Hepatoprotective natural triterpenoids.

PubMed

Xu, Guo-Bo; Xiao, Yao-Hua; Zhang, Qing-Yan; Zhou, Meng; Liao, Shang-Gao

2018-02-10

Liver diseases are one of the leading causes of death in the world. In spite of tremendous advances in modern drug research, effective and safe hepatoprotective agents are still in urgent demand. Natural products are undoubtedly valuable sources for drug leads. A number of natural triterpenoids were reported to possess pronounced hepatoprotective effects, and triterpenoids have become one of the most important classes of natural products for hepatoprotective agents. However, the significance of natural triterpenoids has been underestimated in the hepatoprotective drug discovery, with only very limited triterpenoids being covered in the reviews of hepatoprotective natural products. In this paper, ca 350 natural triterpenoids with reported hepatoprotective effects in ca 120 references between 1975 and 2016 will be reviewed, and the structure-activity relationships of certain types of natural triterpenoids, if available, will be discussed. Patents are not included. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Towards symbiosis in knowledge representation and natural language processing for structuring clinical practice guidelines.

PubMed

Weng, Chunhua; Payne, Philip R O; Velez, Mark; Johnson, Stephen B; Bakken, Suzanne

2014-01-01

The successful adoption by clinicians of evidence-based clinical practice guidelines (CPGs) contained in clinical information systems requires efficient translation of free-text guidelines into computable formats. Natural language processing (NLP) has the potential to improve the efficiency of such translation. However, it is laborious to develop NLP to structure free-text CPGs using existing formal knowledge representations (KR). In response to this challenge, this vision paper discusses the value and feasibility of supporting symbiosis in text-based knowledge acquisition (KA) and KR. We compare two ontologies: (1) an ontology manually created by domain experts for CPG eligibility criteria and (2) an upper-level ontology derived from a semantic pattern-based approach for automatic KA from CPG eligibility criteria text. Then we discuss the strengths and limitations of interweaving KA and NLP for KR purposes and important considerations for achieving the symbiosis of KR and NLP for structuring CPGs to achieve evidence-based clinical practice.

Structural Diversity, Biological Properties and Applications of Natural Products from Cyanobacteria. A Review †

PubMed Central

Shah, Sayed Asmat Ali; Akhter, Najeeb; Auckloo, Bibi Nazia; Khan, Ishrat; Lu, Yanbin; Wang, Kuiwu; Wu, Bin

2017-01-01

Nowadays, various drugs on the market are becoming more and more resistant to numerous diseases, thus declining their efficacy for treatment purposes in human beings. Antibiotic resistance is one among the top listed threat around the world which eventually urged the discovery of new potent drugs followed by an increase in the number of deaths caused by cancer due to chemotherapy resistance as well. Accordingly, marine cyanobacteria, being the oldest prokaryotic microorganisms belonging to a monophyletic group, have proven themselves as being able to generate pharmaceutically important natural products. They have long been known to produce distinct and structurally complex secondary metabolites including peptides, polyketides, alkaloids, lipids, and terpenes with potent biological properties and applications. As such, this review will focus on recently published novel compounds isolated from marine cyanobacteria along with their potential bioactivities such as antibacterial, antifungal, anticancer, anti-tuberculosis, immunosuppressive and anti-inflammatory capacities. Moreover, various structural classes, as well as their technological uses will also be discussed. PMID:29125580

Conflicts between natural resources and structural protection

Treesearch

Stephen Bakken

1995-01-01

Each parcel of government land carries specific land use constraints and objectives. This is also true of private housing and business developments. When government land, which was acquired to protect the natural or cultural resources, borders private land, which was acquired to build and protect houses or businesses, conflicts arise. The flammable native vegetation on...

Chemical construction and structural permutation of neurotoxic natural product, antillatoxin: importance of the three-dimensional structure of the bulky side chain

PubMed Central

INOUE, Masayuki

2014-01-01

Antillatoxin 1 is a unique natural product that displays potent neurotoxic and neuritogenic activities through activation of voltage-gated sodium channels. The peptidic macrocycle of 1 was attached to a side chain with an exceptionally high degree of methylation. In this review, we discuss the total synthesis and biological evaluation of 1 and its analogues. First we describe an efficient synthetic route to 1. This strategy enabled the unified preparation of nine side chain analogues. Structure-activity relationship studies of these analogues revealed that subtle side chain modification leads to dramatic changes in activity, and detailed structural analyses indicated the importance of the overall size and three dimensional shape of the side chain. Based on these data, we designed and synthesized a photoresponsive analogue, proving that the activity of 1 was modulated via a photochemical reaction. The knowledge accumulated through these studies will be useful for the rational design of new tailor-made molecules to control the function and behavior of ion channels. PMID:24522155

Effects of Natural Osmolytes on the Protein Structure in Supercritical CO2: Molecular Level Evidence.

PubMed

Monhemi, Hassan; Housaindokht, Mohammad Reza; Nakhaei Pour, Ali

2015-08-20

Protein instability in supercritical CO2 limits the application of this green solvent in enzyme-catalyzed reactions. CO2 molecules act as a protein denaturant at high pressure under supercritical conditions. Here, for the first time, we show that natural osmolytes could stabilize protein conformation in supercritical CO2. Molecular dynamics simulation is used to monitor the effects of adding different natural osmolytes on the conformation and dynamics of chymotrypsin inhibitor 2 (CI2) in supercritical CO2. Simulations showed that CI2 is denatured at 200 bar in supercritical CO2, which is in agreement with experimental observations. Interestingly, the protein conformation remains native after addition of ∼1 M amino acid- and sugar-based osmolyte models. These molecules stabilize protein through the formation of supramolecular self-assemblies resulting from macromolecule-osmolyte hydrogen bonds. Nevertheless, trimethylamine N-oxide, which is known as a potent osmolyte for protein stabilization in aqueous solutions, amplifies protein denaturation in supercritical CO2. On the basis of our structural analysis, we introduce a new mechanism for the osmolyte effect in supercritical CO2, an "inclusion mechanism". To the best of our knowledge, this is the first study that introduces the application of natural osmolytes in a supercritical fluid and describes mechanistic insights into osmolyte action in nonaqueous media.

Influence of acetone extract from natural rubber on the structure and interface interaction in NR/silica composites

NASA Astrophysics Data System (ADS)

Xu, Tiwen; Jia, Zhixin; Wu, Lianghui; Chen, Yongjun; Luo, Yuanfang; Jia, Demin; Peng, Zheng

2017-11-01

It is well known that the coupling reagents as the additional modifiers were often used to improve the reinforcement effect of silica filled natural rubber. Actually, the commercial raw NR is a mixture consisting of polyisoprene and non-isoprene, where the latter one might have impact on the properties of NR/silica composites as an inartificial modifier inside. Thus, investigating the effect of non-isoprene compounds on the structure and properties of NR/silica composites is a novel approach to disclose the peculiarity of NR, which is meaningful to the assessment of NR quality. In this paper, the influences of acetone extract (AE) from natural rubber on the structure and mechanical properties of NR/silica composites were studied. Then the interfacial interactions between AE and silica were also illustrated through Fourier transform infrared spectroscopy (FTIR), thermogravimetic analysis (TGA), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). Results demonstrated the existence of hydrogen bond between silica and AE, also the covalent bond induced by esterification reaction between sbnd COOH and Sisbnd OH, which resulted in an increase of constrained regions around silica surface leading to the promotions on mechanical and dynamical properties of NR/silica composites significantly.

Thermal and structural characterization of synthetic and natural nanocrystalline hydroxyapatite.

PubMed

Sofronia, Ancuta M; Baies, Radu; Anghel, Elena M; Marinescu, Cornelia A; Tanasescu, Speranta

2014-10-01

The aim of this work was to study the thermal stability on heating and to obtain the processing parameters of synthetic and bone-derived hydroxyapatite over temperatures between room temperature and 1400°C by thermal analysis (thermogravimetry (TG)/differential scanning calorimetry (DSC) and thermo-mechanical analysis-TMA). Structural and surface modifications related to samples origin and calcination temperature were investigated by Fourier transformed infrared (FTIR) and Raman spectroscopy, X-ray diffraction (XRD) and BET method. FTIR spectra indicated that the organic constituents and carbonate are no longer present in the natural sample calcined at 800°C. Raman spectra highlighted the decomposition products of the hydroxyapatite. The calcination treatment modifies the processes kinetics of the synthetic samples, being able to isolate lattice water desorption processes of decarbonization and the dehydroxylation processes. Shrinkage of calcined synthetic sample increases by 10% compared to uncalcined synthetic powder. From the TMA correlated with TG analysis and heat capacity data it can be concluded that sintering temperature of the synthetic samples should be chosen in the temperature range of the onset of dehydroxylation and the temperature at which oxyapatite decomposition begins. Copyright © 2014 Elsevier B.V. All rights reserved.

Spatial phenotypic and genetic structure of threespine stickleback (Gasterosteus aculeatus) in a heterogeneous natural system, Lake Mývatn, Iceland.

PubMed

Millet, Antoine; Kristjánsson, Bjarni K; Einarsson, Arni; Räsänen, Katja

2013-09-01

Eco-evolutionary responses of natural populations to spatial environmental variation strongly depend on the relative strength of environmental differences/natural selection and dispersal/gene flow. In absence of geographic barriers, as often is the case in lake ecosystems, gene flow is expected to constrain adaptive divergence between environments - favoring phenotypic plasticity or high trait variability. However, if divergent natural selection is sufficiently strong, adaptive divergence can occur in face of gene flow. The extent of divergence is most often studied between two contrasting environments, whereas potential for multimodal divergence is little explored. We investigated phenotypic (body size, defensive structures, and feeding morphology) and genetic (microsatellites) structure in threespine stickleback (Gasterosteus aculeatus) across five habitat types and two basins (North and South) within the geologically young and highly heterogeneous Lake Mývatn, North East Iceland. We found that (1) North basin stickleback were, on average, larger and had relatively longer spines than South basin stickleback, whereas (2) feeding morphology (gill raker number and gill raker gap width) differed among three of five habitat types, and (3) there was only subtle genetic differentiation across the lake. Overall, our results indicate predator and prey mediated phenotypic divergence across multiple habitats in the lake, in face of gene flow.

Spatial phenotypic and genetic structure of threespine stickleback (Gasterosteus aculeatus) in a heterogeneous natural system, Lake Mývatn, Iceland

PubMed Central

Millet, Antoine; Kristjánsson, Bjarni K; Einarsson, Árni; Räsänen, Katja

2013-01-01

Eco-evolutionary responses of natural populations to spatial environmental variation strongly depend on the relative strength of environmental differences/natural selection and dispersal/gene flow. In absence of geographic barriers, as often is the case in lake ecosystems, gene flow is expected to constrain adaptive divergence between environments – favoring phenotypic plasticity or high trait variability. However, if divergent natural selection is sufficiently strong, adaptive divergence can occur in face of gene flow. The extent of divergence is most often studied between two contrasting environments, whereas potential for multimodal divergence is little explored. We investigated phenotypic (body size, defensive structures, and feeding morphology) and genetic (microsatellites) structure in threespine stickleback (Gasterosteus aculeatus) across five habitat types and two basins (North and South) within the geologically young and highly heterogeneous Lake Mývatn, North East Iceland. We found that (1) North basin stickleback were, on average, larger and had relatively longer spines than South basin stickleback, whereas (2) feeding morphology (gill raker number and gill raker gap width) differed among three of five habitat types, and (3) there was only subtle genetic differentiation across the lake. Overall, our results indicate predator and prey mediated phenotypic divergence across multiple habitats in the lake, in face of gene flow. PMID:24223263

Carbon Microfibers with Hierarchical Porous Structure from Electrospun Fiber-Like Natural Biopolymer

NASA Astrophysics Data System (ADS)

Liang, Yeru; Wu, Dingcai; Fu, Ruowen

2013-01-01

Electrospinning offers a powerful route for building one-dimensional (1D) micro/nanostructures, but a common requirement for toxic or corrosive organic solvents during the preparation of precursor solution has limited their large scale synthesis and broad applications. Here we report a facile and low-cost way to prepare 1D porous carbon microfibers by using an electrospun fiber-like natural product, i.e., silk cocoon, as precursor. We surprisingly found that by utilizing a simple carbonization treatment, the cocoon microfiber can be directly transformed into 1D carbon microfiber of ca. 6 μm diameter with a unique three-dimensional porous network structure composed of interconnected carbon nanoparticles of 10~40 nm diameter. We further showed that the as-prepared carbon product presents superior electrochemical performance as binder-free electrodes of supercapacitors and good adsorption property toward organic vapor.

Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.

PubMed

Knaus, Tanja; Paul, Caroline E; Levy, Colin W; de Vries, Simon; Mutti, Francesco G; Hollmann, Frank; Scrutton, Nigel S

2016-01-27

The search for affordable, green biocatalytic processes is a challenge for chemicals manufacture. Redox biotransformations are potentially attractive, but they rely on unstable and expensive nicotinamide coenzymes that have prevented their widespread exploitation. Stoichiometric use of natural coenzymes is not viable economically, and the instability of these molecules hinders catalytic processes that employ coenzyme recycling. Here, we investigate the efficiency of man-made synthetic biomimetics of the natural coenzymes NAD(P)H in redox biocatalysis. Extensive studies with a range of oxidoreductases belonging to the "ene" reductase family show that these biomimetics are excellent analogues of the natural coenzymes, revealed also in crystal structures of the ene reductase XenA with selected biomimetics. In selected cases, these biomimetics outperform the natural coenzymes. "Better-than-Nature" biomimetics should find widespread application in fine and specialty chemicals production by harnessing the power of high stereo-, regio-, and chemoselective redox biocatalysts and enabling reactions under mild conditions at low cost.

Structural and functional characteristics of natural and constructed channels draining a reclaimed mountaintop removal and valley fill coal mine

EPA Science Inventory

Mountaintop removal and valley fill (MTR/VF) coal mining has altered the landscape of the Central Appalachian region in the United States. The goals of this study were to 1) compare the structure and function of natural and constructed stream channels in forested and MTR/VF catch...

Paleostress Reconstruction from 3D seismic, Natural Fracture and Calcite Twin Analyses: Structural Insights into the Otway Basin, Australia

NASA Astrophysics Data System (ADS)

Burgin, Hugo; Amrouch, Khalid; Holford, Simon

2017-04-01

The Otway Basin, Australia, is of particular interest due to its significance as an Australian hydrocarbon producing province and a major global CO2 burial project. Structural data was collected in the form of natural fractures from wellbore image logs and outcrop in addition to calcite twin analyses, within formations from the mid cretaceous from both on and offshore. Evidence for four structural events within the study area have been identified including NE-SW and NW-SE orientated extension, in addition to a NW-SE compressive event. Natural fracture data also reveals a previously "un-detected" NE-SW compression within the Otway Basin. This study presents the first investigation of paleostress environments within the region from micro, meso and macro scale tectonic data in both onshore and offshore in addition to the first quantification of differential paleostresses. This work highlights the importance of a comprehensive understanding of four dimensional stress evolution within the sedimentary basins of Australia's southern margin.

Nonobservable nature of the nuclear shell structure: Meaning, illustrations, and consequences

NASA Astrophysics Data System (ADS)

Duguet, T.; Hergert, H.; Holt, J. D.; Somà, V.

2015-09-01

transformations is broken owing to the omission of induced many-body interactions beyond three-body operators and to the nonexact treatment of the many-body Schrödinger equation. The impact of this breaking is first characterized by quantifying the artificial running of observables over a (necessarily) finite interval of λ values. Then the genuine running of ESPEs is characterized and shown to be convincingly larger than the one of observables (which would be zero in an exact calculation). Conclusions: The nonobservable nature of the nuclear shell structure, i.e., the fact that it constitutes an intrinsically theoretical object with no counterpart in the empirical world, must be recognized and assimilated. Indeed, the shell structure cannot be determined uniquely from experimental data and cannot be talked about in an absolute sense as it depends on the nonobservable resolution scale employed in the theoretical calculation. It is only at the price of fixing arbitrarily (but conveniently) such a scale that one can establish correlations between observables and the shell structure. To some extent, fixing the resolution scale provides ESPEs (and spectroscopic factors) with a quasi-observable character. Eventually, practitioners can refer to nuclear shells and spectroscopic factors in their analyses of nuclear phenomena if, and only if, they use consistent structure and reaction theoretical schemes based on a fixed resolution scale they have agreed on prior to performing their analysis and comparisons.

Natural Compounds as Next-Generation Herbicides

PubMed Central

Dayan, Franck E.; Duke, Stephen O.

2014-01-01

Herbicides with new modes of action (MOAs) are badly needed due to the rapidly evolving resistance to commercial herbicides, but a new MOA has not been introduced in over 20 years. The greatest pest management challenge for organic agriculture is the lack of effective natural product herbicides. The structural diversity and evolved biological activity of natural phytotoxins offer opportunities for the development of both directly used natural compounds and synthetic herbicides with new target sites based on the structures of natural phytotoxins. Natural phytotoxins are also a source for the discovery of new herbicide target sites that can serve as the focus of traditional herbicide discovery efforts. There are many examples of strong natural phytotoxins with MOAs other than those used by commercial herbicides, which indicates that there are molecular targets of herbicides that can be added to the current repertoire of commercial herbicide MOAs. PMID:24784133

Genetic structure of natural and restored shoalgrass Halodule wrightii populations in the NW Gulf of Mexico

USGS Publications Warehouse

Travis, S.E.; Sheridan, P.

2006-01-01

The decline of seagrass communities worldwide has sparked an urgent need for effective restoration strategies, which require a working knowledge of population genetic structure. Halodule wrighti is a common seagrass of the Caribbean region that is being restored to areas of the Gulf of Mexico, yet little is known of its population genetics. This study provides an assessment of individual, clonal and population effects on the genetic structure of 4 natural H. wrightii populations occupying 170 km of coastline in and around Galveston Bay, Texas, for comparison with 7 restored populations ranging in age from 2 to 7 yr. By using molecular markers, in the form of amplified fragment length polymorphisms (AFLPs), we found considerable variation in clonal richness at the population scale (from 0.54 to 0.82), with the restored populations occupying an intermediate to high position within this range. Replicate sampling within individual seagrass beds of 3 to 5m diameter generally revealed higher levels of clonal richness, elevated by 4 to 22% over that at the population scale, suggesting that seed recruitment is more important at the local scale than at distances of >10 m. Genetic diversity was 2 to 3 times less than that expected for a widespread, outcrossing species like H. wrightii, although a 170% increase in the frequency of variable markers relative to the mean for all other populations was noted for a volunteer population that had recruited from a mixture of donor materials planted at a nearby restoration site. Within the spatial extent of this study, natural populations adhered to a model of isolation-by-distance, whereas donor materials from these same natural populations were undergoing a rapid genetic convergence within a restored site where they had been planted together. ?? Inter-Research 2006.

Supramolecular Architectures and Mimics of Complex Natural Folds Derived from Rationally Designed alpha-Helical Protein Structures

NASA Astrophysics Data System (ADS)

Tavenor, Nathan Albert

Protein-based supramolecular polymers (SMPs) are a class of biomaterials which draw inspiration from and expand upon the many examples of complex protein quaternary structures observed in nature: collagen, microtubules, viral capsids, etc. Designing synthetic supramolecular protein scaffolds both increases our understanding of natural superstructures and allows for the creation of novel materials. Similar to small-molecule SMPs, protein-based SMPs form due to self-assembly driven by intermolecular interactions between monomers, and monomer structure determines the properties of the overall material. Using protein-based monomers takes advantage of the self-assembly and highly specific molecular recognition properties encodable in polypeptide sequences to rationally design SMP architectures. The central hypothesis underlying our work is that alpha-helical coiled coils, a well-studied protein quaternary folding motif, are well-suited to SMP design through the addition of synthetic linkers at solvent-exposed sites. Through small changes in the structures of the cross-links and/or peptide sequence, we have been able to control both the nanoscale organization and the macroscopic properties of the SMPs. Changes to the linker and hydrophobic core of the peptide can be used to control polymer rigidity, stability, and dimensionality. The gaps in knowledge that this thesis sought to fill on this project were 1) the relationship between the molecular structure of the cross-linked polypeptides and the macroscopic properties of the SMPs and 2) a means of creating materials exhibiting multi-dimensional net or framework topologies. Separate from the above efforts on supramolecular architectures was work on improving backbone modification strategies for an alpha-helix in the context of a complex protein tertiary fold. Earlier work in our lab had successfully incorporated unnatural building blocks into every major secondary structure (beta-sheet, alpha-helix, loops and beta

Natural product-like virtual libraries: recursive atom-based enumeration.

PubMed

Yu, Melvin J

2011-03-28

A new molecular enumerator is described that allows chemically and architecturally diverse sets of natural product-like and drug-like structures to be generated from a core structure as simple as a single carbon atom or as complex as a polycyclic ring system. Integrated with a rudimentary machine-learning algorithm, the enumerator has the ability to assemble biased virtual libraries enriched in compounds predicted to meet target criteria. The ability to dynamically generate relatively small focused libraries in a recursive manner could reduce the computational time and infrastructure necessary to construct and manage extremely large static libraries. Depending on enumeration conditions, natural product-like structures can be produced with a wide range of heterocyclic and alicyclic ring assemblies. Because natural products represent a proven source of validated structures for identifying and designing new drug candidates, mimicking the structural and topological diversity found in nature with a dynamic set of virtual natural product-like compounds may facilitate the creation of new ideas for novel, biologically relevant lead structures in areas of uncharted chemical space.

Structure and nature of manganese(II) imidazole complexes in frozen aqueous solutions.

PubMed

Un, Sun

2013-04-01

A common feature of a large majority of the manganese metalloenzymes, as well as many synthetic biomimetic complexes, is the bonding between the manganese ion and imidazoles. This interaction was studied by examining the nature and structure of manganese(II) imidazole complexes in frozen aqueous solutions using 285 GHz high magnet-field continuous-wave electron paramagnetic resonance (cw-HFEPR) and 95 GHz pulsed electron-nuclear double resonance (ENDOR) and pulsed electron-double resonance detected nuclear magnetic resonance (PELDOR-NMR). The (55)Mn hyperfine coupling and isotropic g values of Mn(II) in frozen imidazole solutions continuously decreased with increasing imidazole concentration. ENDOR and PELDOR-NMR measurements demonstrated that the structural basis for this behavior arose from the imidazole concentration-dependent distribution of three six-coordinate and two four-coordinate species: [Mn(H2O)6](2+), [Mn(imidazole)(H2O)5](2+), [Mn(imidazole)2(H2O)4](2+), [Mn(imidazole)3(H2O)](2+), and [Mn(imidazole)4](2+). The hyperfine and g values of manganese proteins were also fully consistent with this imidazole effect. Density functional theory methods were used to calculate the structures, spin and charge densities, and hyperfine couplings of a number of different manganese imidazole complexes. The use of density functional theory with large exact-exchange admixture calculations gave isotropic (55)Mn hyperfine couplings that were semiquantitative and of predictive value. The results show that the covalency of the Mn-N bonds play an important role in determining not only magnetic spin parameters but also the structure of the metal binding site. The relationship between the isotropic (55)Mn hyperfine value and the number of imidazole ligands provides a quick and easy test for determining whether a protein binds an Mn(II) ion using histidine residues and, if so, how many are involved. Application of this method shows that as much as 40% of the Mn(II) ions in

An Analysis of Fish Communities on Structured Habitat in the Northwestern Gulf of Mexico: Potential Impacts of "Rigs-to-Reefs" Programs and a Comparison with Natural Banks

NASA Astrophysics Data System (ADS)

Wetz, J. J.; Ajemian, M. J.; Streich, M.; Stunz, G. W.

2016-02-01

Artificial habitat in the northwestern Gulf of Mexico is predominantly comprised of both active and reefed oil and gas platforms. In the last few decades, Texas alone has converted over 140 decommissioned oil and gas platforms into permitted artificial reefs. Despite the predominance of this habitat type, the associated fish communities remain poorly studied and few comparisons with natural habitat have been done. Using remotely operated vehicles in 2012 and 2013, we documented fish assemblages surrounding 15 artificial structures and several natural banks located on the Texas shelf. Artificial sites were variable in depth (30-84 m), number of structures, and vertical relief. Both structure type and relief influenced species richness and community structure at these sites. However, bottom depth was most influential with a shift in community composition and high diversity observed at approximately 60 m depth. In this same region, drowned coralgal reefs (the South Texas Banks) provide natural hard substrate with relief up to 20 m. Comparisons between these natural habitats and artificial reefs with similar depths and relief clearly demonstrate fish community differences, perhaps indicating differences in habitat function. To attain species-specific management goals, reefing programs should carefully consider the ambient environmental conditions (i.e., depth) and proximity of natural habitats, as these will most certainly affect the fish assemblage and characteristics of exploited fisheries species.

Micro-, to nano-structural relationships in natural serpentines, derived from cationic substitutions.

NASA Astrophysics Data System (ADS)

Munoz, M.; Farges, F.; Andreani, M.; Ulrich, M.; Marcaillou, C.; Mathon, O.

2014-12-01

The understanding of the crystal chemistry of serpentine minerals (incl. antigorite, lizardite and chrysotile) is fundamental since serpentinization processes concern very large scientific domains: e.g., natural abiotic hydrogen production (Marcaillou et al., 2011), origins of life (Russell et al., 2010), fluid properties and mobility of metals in subduction zones (Kelley and Cottrell, 2009). This study aims at characterizing relations between the micro-, and nano-structures of the most abundant serpentine polytypes in the oceanic crust. Serpentine theoretical formula is Mg3Si2O5(OH)4 but several natural substitutions are possible and the formula may be written such as: (Mg,Fe2+,Fe3+,Al)3(Si,Al,Fe3+)2O5(OH)4; showing that Fe and Al may play an important role in the crystallization of serpentines. Preliminary crystal chemistry studies, suggest that, 1) the Al content alone cannot be directly correlated to serpentine polytypes (Andreani et al., 2008), 2) the amounts of tetrahedral iron can be significant in the presence of ferric iron (Marcaillou et al., 2011). Because magnetite is usually associated to serpentine, the Fe-speciation characterization of serpentine is delicate. Here, we provide the study of 33 magnetite-free serpentines containing various amounts of Fe and Al. The samples were characterized by SEM, Raman, XRF, as well as XANES, pre-edge, and EXAFS spectroscopy at the Fe K-edge. XANES experimental data were crosschecked and interpreted thanks to ab initio calculations and EXAFS shell-fitting. Also, preliminary 27Al-RMN data is presented. Results suggest relationships between the type and amount of substitution of trivalent cations in minerals, and the microstructures observed. Chrysotile incorporates less trivalent cations than other varieties, which tends to preserve the so-called misfit between the TO layers, and therefore the tubular structure of the mineral. Lizardites mainly involve Fe/Al Tschermak-type substitutions, while M-site vacancy charge

On the flavor structure of natural composite Higgs models & top flavor violation

NASA Astrophysics Data System (ADS)

Azatov, Aleksandr; Panico, Giuliano; Perez, Gilad; Soreq, Yotam

2014-12-01

We explore the up flavor structure of composite pseudo Nambu-Goldstone-boson Higgs models, where we focus on the flavor anarchic minimal SO(5) case. We identify the different sources of flavor violation in this framework and emphasise the differences from the anarchic Randall-Sundrum scenario. In particular, the fact that the flavor symmetry does not commute with the symmetries that stabilize the Higgs potential may constrain the flavor structure of the theory. In addition, we consider the interplay between the fine tuning of the model and flavor violation. We find that generically the tuning of this class of models is worsen in the anarchic case due to the contributions from the additional fermion resonances. We show that, even in the presence of custodial symmetry, large top flavor violating rate are naturally expected. In particular, t → cZ branching ratio of order of 10-5 is generic for this class of models. Thus, this framework can be tested in the next run of the LHC as well as in other future colliders. We also find that the top flavor violation is weakly correlated with the increase amount of fine tuning. Finally, other related flavor violation effects, such as t → ch and in the D system, are found to be too small to be observed by the current and near future colliders.

ASCII Art Synthesis from Natural Photographs.

PubMed

Xu, Xuemiao; Zhong, Linyuan; Xie, Minshan; Liu, Xueting; Qin, Jing; Wong, Tien-Tsin

2017-08-01

While ASCII art is a worldwide popular art form, automatic generating structure-based ASCII art from natural photographs remains challenging. The major challenge lies on extracting the perception-sensitive structure from the natural photographs so that a more concise ASCII art reproduction can be produced based on the structure. However, due to excessive amount of texture in natural photos, extracting perception-sensitive structure is not easy, especially when the structure may be weak and within the texture region. Besides, to fit different target text resolutions, the amount of the extracted structure should also be controllable. To tackle these challenges, we introduce a visual perception mechanism of non-classical receptive field modulation (non-CRF modulation) from physiological findings to this ASCII art application, and propose a new model of non-CRF modulation which can better separate the weak structure from the crowded texture, and also better control the scale of texture suppression. Thanks to our non-CRF model, more sensible ASCII art reproduction can be obtained. In addition, to produce more visually appealing ASCII arts, we propose a novel optimization scheme to obtain the optimal placement of proportional-font characters. We apply our method on a rich variety of images, and visually appealing ASCII art can be obtained in all cases.

Natural compounds as next-generation herbicides.

PubMed

Dayan, Franck E; Duke, Stephen O

2014-11-01

Herbicides with new modes of action (MOAs) are badly needed due to the rapidly evolving resistance to commercial herbicides, but a new MOA has not been introduced in over 20 years. The greatest pest management challenge for organic agriculture is the lack of effective natural product herbicides. The structural diversity and evolved biological activity of natural phytotoxins offer opportunities for the development of both directly used natural compounds and synthetic herbicides with new target sites based on the structures of natural phytotoxins. Natural phytotoxins are also a source for the discovery of new herbicide target sites that can serve as the focus of traditional herbicide discovery efforts. There are many examples of strong natural phytotoxins with MOAs other than those used by commercial herbicides, which indicates that there are molecular targets of herbicides that can be added to the current repertoire of commercial herbicide MOAs. © 2014 American Society of Plant Biologists. All Rights Reserved.

The natural armors of fish: A comparison of the lamination pattern and structure of scales

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

Murcia, Sandra; Lavoie, Ellen; Linley, Tim

Fish scales exhibit a unique balance of flexibility, strength and toughness, which is essential to provide protection without encumbering locomotion. Although the mechanical behavior and structure of this natural armor are of recent interest, a comparison of these qualities from scales of different fish species has not been reported. In this investigation the armor of fish with different locomotion, size and protection needs were analyzed. Scales from the Arapaima gigas, the tarpon (Megalops atlanticus) and the carp (Cyprinus carpio) were compared in terms of the stacking sequence of individual plies and their microstructure. The scales were also compared with respectmore » to anatomical position to distinguish site-specific functional differences. Results show that the lamination sequence of plies for the carp and tarpon exhibit a Bouligand structure with relative rotation of 75° between consecutive plies. The arapaima scales exhibit a cross-ply structure, with 90° rotation between adjacent plies. In addition, results indicate that the volume fraction of reinforcement, the number of plies and the variations in thickness with anatomical position are unique amongst the three fish. These characteristics should be considered in evaluations focused on the mechanical behavior.« less

Differentiate responses of soil structure to natural vegetation and artificial plantation in landslide hazard region of the West Qinling Mountains, China

NASA Astrophysics Data System (ADS)

Wang, X.; Huang, Z.; Zhao, Y.; Hong, M.

2017-12-01

Natural vegetation and artificial plantation are the most important measures for ecological restoration in soil erosion and landslide hazard-prone regions of China. Previous studies have demonstrated that both measures can significantly change the soil structure and decrease soil and water erosion. Few reports have compared the effects of the two contrasting measures on mechanical and hydrological properties and further tested the differentiate responses of soil structure. In the study areas, two vegetation restoration measures-natural vegetation restoration (NVR) and artificial plantation restoration (APR) compared with control site, with similar topographical and geological backgrounds were selected to investigate the different effects on soil structure based on eight-year ecological restoration projects. The results showed that the surface vegetation played an important role in releasing soil erosion and enhance soil structure stability through change the soil aggregates (SA) and total soil porosity (TSP). The SA<0.25mm content in NVR (36.13%) was higher than that in APR (32.14%). The study indicated that SA and TSP were the principal components (PCs) related to soil structure variation. Soil organic carbon, soil water retention, clay and vegetation biomass were more strongly correlated with the PCs in NVR than those in APR. The study indicated that NVR was more beneficial for soil structure stability than APR. These findings will provide a theoretical basis for the decisions around reasonable land use for ecological restoration and conservation in geological hazard-prone regions.

Reengineering through natural structures: the fractal factory

NASA Astrophysics Data System (ADS)

Sihn, Wilfried

1995-08-01

Many branches of European industry have had to recognize that their lead in the world market has been caught up with, particularly through Asian competition. In many cases a deficit of up to 30% in costs and productivity already exists. The reasons are rigid, Tayloristic company structures. The companies are not in a position to react flexibly to constantly changing environmental conditions. This article illustrates the methods of the `fractal company' which are necessary to solve the structure crisis. The fractal company distinguishes itself through its dynamics and its vitality, as well as its independent reaction to the changing circumstances. The developed methods, procedures, and framework conditions such as company structuring, human networking, hierarchy formation, and models for renumeration and working time are explained. They are based on practical examples from IPA's work with the automobile industry, their suppliers, and the engineering industry.

Material nature versus structural nurture: the embodied carbon of fundamental structural elements.

PubMed

Purnell, P

2012-01-03

The construction industry is under considerable legislative pressure to reduce its CO(2) emissions. The current focus is on operational CO(2) emissions, but as these are compulsorily reduced, the embodied CO(2) of structural components, overwhelmingly attributable to the material from which they are manufactured, will become of greater interest. Choice of structural materials for minimal embodied CO(2) is currently based either on subjective narrative arguments, or values of embodied CO(2) per unit volume or mass. Here we show that such arguments are invalid. We found that structural design parameters (dimensions, section choice, and load capacity) for fundamental structural components (simple beams and columns) are at least as important as material choice with regard to their effect on embodied CO(2) per unit load capacity per unit dimension, which can vary over several decades within and between material choices. This result demonstrates that relying on apparently objective analyses based on embodied CO(2) per unit volume or mass will not lead to minimum carbon solutions; a formal definition of the correct functional unit for embodied CO(2) must be used. In short, there is no such thing as a green structural material.

Structural and spectroscopic changes to natural nontronite induced by experimental impacts between 10 and 40 GPa

NASA Astrophysics Data System (ADS)

Friedlander, Lonia R.; Glotch, Timothy D.; Bish, David L.; Dyar, M. Darby; Sharp, Thomas G.; Sklute, Elizabeth C.; Michalski, Joseph R.

2015-05-01

Many phyllosilicate deposits remotely detected on Mars occur within bombarded terrains. Shock metamorphism from meteor impacts alters mineral structures, producing changed mineral spectra. Thus, impacts have likely affected the spectra of remotely sensed Martian phyllosilicates. We present spectral analysis results for a natural nontronite sample before and after laboratory-generated impacts over five peak pressures between 10 and 40 GPa. We conducted a suite of spectroscopic analyses to characterize the sample's impact-induced structural and spectral changes. Nontronite becomes increasingly disordered with increasing peak impact pressure. Every infrared spectroscopic technique used showed evidence of structural changes at shock pressures above ~25 GPa. Reflectance spectroscopy in the visible near-infrared region is primarily sensitive to the vibrations of metal-OH and interlayer H2O groups in the nontronite octahedral sheet. Midinfrared (MIR) spectroscopic techniques are sensitive to the vibrations of silicon and oxygen in the nontronite tetrahedral sheet. Because the tetrahedral and octahedral sheets of nontronite deform differently, impact-driven structural deformation may contribute to differences in phyllosilicate detection between remote sensing techniques sensitive to different parts of the nontronite structure. Observed spectroscopic changes also indicated that the sample's octahedral and tetrahedral sheets were structurally deformed but not completely dehydroxylated. This finding is an important distinction from previous studies of thermally altered phyllosilicates in which dehydroxylation follows dehydration in a stepwise progression preceding structural deformation. Impact alteration may thus complicate mineral-specific identifications based on the location of OH-group bands in remotely detected spectra. This is a key implication for Martian remote sensing arising from our results.

Ethics of respect for nature

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

Taylor, P.W.

The foundational structure for a life-centered theory of environmental ethics consists of three interrelated components. First is the adopting of a certain ultimate moral attitude toward nature, which the author calls respect for nature. Second is a belief system that constitutes a way of conceiving of the natural world and of our place in it. This belief system underlies and supports the attitude in a way that makes it an appropriate attitude to take toward the Earth's natural ecosystems and their life communities. Third is a system of moral rules and standards for guiding our treatment of those ecosystems andmore » life communities, a set of normative principles which give concrete embodiment or expression to the attitude of respect for nature. The theory set forth and defended here is structurally symmetrical with a theory of human ethics based on the principle of respect for persons and the legal entitlement to be protected. We can begin by placing limits on human population and technology.« less

Angle-independent pH-sensitive composites with natural gyroid structure

PubMed Central

Xue, Ruiyang; Zhang, Wang; Sun, Peng; Zada, Imran; Guo, Cuiping; Liu, Qinglei; Gu, Jiajun; Su, Huilan; Zhang, Di

2017-01-01

pH sensor is an important and practical device with a wide application in environmental protection field and biomedical industries. An efficient way to enhance the practicability of intelligent polymer composed pH sensor is to subtilize the three-dimensional microstructure of the materials, adding measurable features to visualize the output signal. In this work, C. rubi wing scales were combined with pH-responsive smart polymer polymethylacrylic acid (PMAA) through polymerization to achieve a colour-tunable pH sensor with nature gyroid structure. Morphology and reflection characteristics of the novel composites, named G-PMAA, are carefully investigated and compared with the original biotemplate, C. rubi wing scales. The most remarkable property of G-PMAA is a single-value corresponding relationship between pH value and the reflection peak wavelength (λmax), with a colour distinction degree of 18 nm/pH, ensuring the accuracy and authenticity of the output. The pH sensor reported here is totally reversible, which is able to show the same results after several detection circles. Besides, G-PMAA is proved to be not influenced by the detection angle, which makes it a promising pH sensor with superb sensitivity, stability, and angle-independence. PMID:28165044

Synthesis of Polycyclic Natural Products

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

Nguyen, Tuan Hoang

With the continuous advancements in molecular biology and modern medicine, organic synthesis has become vital to the support and extension of those discoveries. The isolations of new natural products allow for the understanding of their biological activities and therapeutic value. Organic synthesis is employed to aid in the determination of the relationship between structure and function of these natural products. The development of synthetic methodologies in the course of total syntheses is imperative for the expansion of this highly interdisciplinary field of science. In addition to the practical applications of total syntheses, the structural complexity of natural products represents amore » worthwhile challenge in itself. The pursuit of concise and efficient syntheses of complex molecules is both gratifying and enjoyable.« less

Symmetry structure in discrete models of biochemical systems: natural subsystems and the weak control hierarchy in a new model of computation driven by interactions.

PubMed

Nehaniv, Chrystopher L; Rhodes, John; Egri-Nagy, Attila; Dini, Paolo; Morris, Eric Rothstein; Horváth, Gábor; Karimi, Fariba; Schreckling, Daniel; Schilstra, Maria J

2015-07-28

Interaction computing is inspired by the observation that cell metabolic/regulatory systems construct order dynamically, through constrained interactions between their components and based on a wide range of possible inputs and environmental conditions. The goals of this work are to (i) identify and understand mathematically the natural subsystems and hierarchical relations in natural systems enabling this and (ii) use the resulting insights to define a new model of computation based on interactions that is useful for both biology and computation. The dynamical characteristics of the cellular pathways studied in systems biology relate, mathematically, to the computational characteristics of automata derived from them, and their internal symmetry structures to computational power. Finite discrete automata models of biological systems such as the lac operon, the Krebs cycle and p53-mdm2 genetic regulation constructed from systems biology models have canonically associated algebraic structures (their transformation semigroups). These contain permutation groups (local substructures exhibiting symmetry) that correspond to 'pools of reversibility'. These natural subsystems are related to one another in a hierarchical manner by the notion of 'weak control'. We present natural subsystems arising from several biological examples and their weak control hierarchies in detail. Finite simple non-Abelian groups are found in biological examples and can be harnessed to realize finitary universal computation. This allows ensembles of cells to achieve any desired finitary computational transformation, depending on external inputs, via suitably constrained interactions. Based on this, interaction machines that grow and change their structure recursively are introduced and applied, providing a natural model of computation driven by interactions.

Alternative approaches used to assess structural changes of natural zircon caused by heat treatment

NASA Astrophysics Data System (ADS)

Huong, L. T. T.; Thuyet, N. T. M.; Phan, T. L.; Tran, N.; Toan, D. N.; Thang, P. D.; Huy, B. T.

2018-03-01

It is known that large changes in the crystal structure of zircon (ZrSiO4) can be assessed through the linewidth of the characteristic Raman mode (Δν3) at 1008 cm-1. However, the use of Δν3 to assess small changes caused by heat treatment at temperatures below its decomposition temperature of 1670 °C is difficult. The present work points out that the combination of X-ray diffraction (XRD) analyses, and photoluminescence (PL) and Raman (RS) measurements with different excitation wavelengths is an effective approach to solve the above problem. In this context, we have selected natural zircon containing some rare-earth (RE) impurities, and then studied the changes in its crystal structure caused by heat treatment at temperatures Tan=400-1600 °C. XRD analyses reveal that small modifications of the unit-cell parameters occur as Tan>600 °C. Taking the intensity ratios of the ν3 mode to RE-related emissions (Iν3/IRE) or the PL intensity ratios between RE-related emissions into consideration, the similar results in good agreement with the XRD analyses are also found. We believe that the small structural changes are related to the migration and redistribution of defects and impurities, and re-crystallization of zircon. This could be further confirmed though the relation between paramagnetic and ferromagnetic signals when Tan changes.

A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution.

PubMed

Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos

2017-02-01

Bergofungin is a peptide antibiotic that is produced by the ascomycetous fungus Emericellopsis donezkii HKI 0059 and belongs to peptaibol subfamily 2. The crystal structure of bergofungin A has been determined and refined to 0.84 Å resolution. This is the second crystal structure of a natural 15-residue peptaibol, after that of samarosporin I. The amino-terminal phenylalanine residue in samarosporin I is exchanged to a valine residue in bergofungin A. According to agar diffusion tests, this results in a nearly inactive antibiotic peptide compared with the moderately active samarosporin I. Crystals were obtained from methanol solutions of purified bergofungin mixed with water. Although there are differences in the intramolecular hydrogen-bonding scheme of samarosporin I, the overall folding is very similar for both peptaibols, namely 3 10 -helical at the termini and α-helical in the middle of the molecules. Bergofungin A and samarosporin I molecules are arranged in a similar way in both lattices. However, the packing of bergofungin A exhibits a second solvent channel along the twofold axis. This latter channel occurs in the vicinity of the N-terminus, where the natural substitution resides.

Linking natural microstructures with numerical modeling of pinch-and-swell structures

NASA Astrophysics Data System (ADS)

Peters, Max; Berger, Alfons; Herwegh, Marco; Regenauer-Lieb, Klaus

2016-04-01

For a variety of geological problems, the change from homogeneous to localized deformation and the establishment of steady-state conditions are equally important. Here, we show that pinch-and-swell structures are ideal candidates for the study of the switch in deformation style and mechanism during ductile creep. We present an interdisciplinary approach to the onset of pinch-and-swell structures and to the flow conditions during pre- to post-localization stages in ductile rocks. For this reason, naturally boudinaged calcite veins, embedded in a calc-mylonite, and their microfabrics were investigated quantitatively. Remnants of slightly deformed calcite hosts build up the swells, showing twinning and minor dislocation glide as crystal plastic deformation mechanisms which are accompanied by subgrain rotation recrystallization (SGR). Towards the pinches, we find a gradient of severe grain size reduction through progressive SGR, developing a characteristic dislocation creep crystallographic preferred orientation (CPO). Along this gradient, the finest recrystallized calcite grains appear randomly oriented, expressed by a "smearing-out" of the CPO and missing systematics of misorientation angles in the most extended areas. We interpret this microstructure as a switch from dislocation dominated creep to grain boundary sliding processes. Further, we show that the onset of boudinage is independent on both the original orientation and grain size of calcite hosts. We implemented these microstructural observations into a layered elasto-visco-plastic finite element framework, tracing variations in grain size (Peters et al., 2015). We base the microstructural evolution on thermo-mechanical-chemical principles and end-member flow laws (Herwegh et al., 2014). The simulated pinch-and-swell structures indicate that low strain rates in the swells favor dislocation creep, whereas accelerated rates provoke continuous grain size reduction allowing strain accommodation by diffusion creep

Structural environments of carboxyl groups in natural organic molecules from terrestrial systems. Part 1: Infrared spectroscopy

NASA Astrophysics Data System (ADS)

Hay, Michael B.; Myneni, Satish C. B.

2007-07-01

Carboxyls play an important role in the chemistry of natural organic molecules (NOM) in the environment, and their behavior is dependent on local structural environment within the macromolecule. We studied the structural environments of carboxyl groups in dissolved NOM from the Pine Barrens (New Jersey, USA), and IHSS NOM isolates from soils and river waters using attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy. It is well established that the energies of the asymmetric stretching vibrations of the carboxylate anion (COO -) are sensitive to the structural environment of the carboxyl group. These energies were compiled from previous infrared studies on small organic acids for a wide variety of carboxyl structural environments and compared with the carboxyl spectral features of the NOM samples. We found that the asymmetric stretching peaks for all NOM samples occur within a narrow range centered at 1578 cm -1, suggesting that all NOM samples examined primarily contain very similar carboxyl structures, independent of sample source and isolation techniques employed. The small aliphatic acids containing hydroxyl (e.g., D-lactate, gluconate), ether/ester (methoxyacetate, acetoxyacetate), and carboxylate (malonate) substitutions on the α-carbon, and the aromatic acids salicylate ( ortho-OH) and furancarboxylate ( O-heterocycle), exhibit strong overlap with the NOM range, indicating that similar structures may be common in NOM. The width of the asymmetric peak suggests that the structural heterogeneity among the predominant carboxyl configurations in NOM is small. Changes in peak area with pH at energies distant from the peak at 1578 cm -1, however, may be indicative of a small fraction of other aromatic carboxyls and aliphatic structures lacking α-substitution. This information is important in understanding NOM-metal and mineral-surface complexation, and in building appropriate structural and mechanistic models of humic materials.

[Elaboration of Pseudo-natural Products Using Artificial In Vitro Biosynthesis Systems].

PubMed

Goto, Yuki

2018-01-01

 Peptidic natural products often consist of not only proteinogenic building blocks but also unique non-proteinogenic structures such as macrocyclic scaffolds and N-methylated backbones. Since such non-proteinogenic structures are important structural motifs that contribute to diverse bioactivity, we have proposed that peptides with non-proteinogenic structures should be attractive candidates as artificial bioactive peptides mimicking natural products, or so-called pseudo-natural products. We previously devised an engineered translation system for pseudo-natural peptides, referred to as the flexible in vitro translation (FIT) system. This system enabled "one-pot" synthesis of highly diverse pseudo-natural peptide libraries, which can be rapidly screened by mRNA display technology for the discovery of pseudo-natural peptides with diverse bioactivities.

Synthetic Biological Approaches to Natural Product Biosynthesis

PubMed Central

Winter, Jaclyn M; Tang, Yi

2012-01-01

Small molecules produced in Nature continue to be an inspiration for the development of new therapeutic agents. These natural products possess exquisite chemical diversity, which gives rise to their wide range of biological activities. In their host organism, natural products are assembled and modified by dedicated biosynthetic pathways that Nature has meticulously developed. Often times, the complex structures or chemical modifications instated by these pathways are difficult to replicate using traditional synthetic methods. An alternative approach for creating or enhancing the structural variation of natural products is through combinatorial biosynthesis. By rationally reprogramming and manipulating the biosynthetic machinery responsible for their production, unnatural metabolites that were otherwise inaccessible can be obtained. Additionally, new chemical structures can be synthesized or derivatized by developing the enzymes that carry out these complicated chemical reactions into biocatalysts. In this review, we will discuss a variety of combinatorial biosynthetic strategies, their technical challenges, and highlight some recent (since 2007) examples of rationally designed unnatural metabolites, as well as platforms that have been established for the production and modification of clinically important pharmaceutical compounds. PMID:22221832

Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes

PubMed Central

2016-01-01

The search for affordable, green biocatalytic processes is a challenge for chemicals manufacture. Redox biotransformations are potentially attractive, but they rely on unstable and expensive nicotinamide coenzymes that have prevented their widespread exploitation. Stoichiometric use of natural coenzymes is not viable economically, and the instability of these molecules hinders catalytic processes that employ coenzyme recycling. Here, we investigate the efficiency of man-made synthetic biomimetics of the natural coenzymes NAD(P)H in redox biocatalysis. Extensive studies with a range of oxidoreductases belonging to the “ene” reductase family show that these biomimetics are excellent analogues of the natural coenzymes, revealed also in crystal structures of the ene reductase XenA with selected biomimetics. In selected cases, these biomimetics outperform the natural coenzymes. “Better-than-Nature” biomimetics should find widespread application in fine and specialty chemicals production by harnessing the power of high stereo-, regio-, and chemoselective redox biocatalysts and enabling reactions under mild conditions at low cost. PMID:26727612

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE PAGES

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; ...

2016-09-09

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

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

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

A Systematic Theoretical Study of UC6: Structure, Bonding Nature, and Spectroscopy.

PubMed

Du, Jiguang; Jiang, Gang

2017-11-20

The study of uranium carbides has received renewed attention in recent years due to the potential use of these compounds as fuels in new generations of nuclear reactors. The isomers of the UC 6 cluster were determined by DFT and ab initio methods. The structures obtained using SC-RECP for U were generally consistent with those obtained using an all-electron basis set (ZORA-SARC). The CCSD(T) calculations indicated that two isomers had similar energies and may coexist in laser evaporation experiments. The nature of the U-C bonds in the different isomers was examined via a topological analysis of the electron density, and the results indicated that the U-C bonds are predominantly closed-shell (ionic) interactions with a certain degree of covalent character in all cases, particularly in the linear species. The IR and UV-vis spectra of the isomers were theoretically simulated to provide information that can be used to identify the isomers of UC 6 in future experiments.

Chemical nature of the barrier in Pb/YBa2Cu3O(7-x) tunneling structures

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Foote, M. C.; Hunt, B. D.; Bajuk, L.

1991-01-01

Several reports of reproducible tunneling measurements on YBa2Cu3O(7-x) thin films or single crystals with a Pb counterelectrode have recently appeared. The nature of the tunnel barrier, formed by air exposure, in these structures has been unknown. In the present work, the chemical nature of the tunnel barrier is studied with X-ray photoelectron spectroscopy (XPS). Laser-ablated films grown on LaAlO3 which have been chemically etched and heated in air are found to form nonsuperconducting surface Ba species, evident in an increase of the high binding energy Ba 3d and O 1s signals. A deposited Pb film about 10 A thick is found to be oxidized, and Cu(+2) is partially reduced to Cu(+1). The tunneling barrier thus appears to consist of species resulting from a combination of the air exposure and a reaction between the superconductor and the deposited Pb counterelectrode.

In What Ways Do Synthetic Nucleotides and Natural Base Lesions Alter the Structural Stability of G-Quadruplex Nucleic Acids?

PubMed Central

2017-01-01

Synthetic analogs of natural nucleotides have long been utilized for structural studies of canonical and noncanonical nucleic acids, including the extensively investigated polymorphic G-quadruplexes (GQs). Dependence on the sequence and nucleotide modifications of the folding landscape of GQs has been reviewed by several recent studies. Here, an overview is compiled on the thermodynamic stability of the modified GQ folds and on how the stereochemical preferences of more than 70 synthetic and natural derivatives of nucleotides substituting for natural ones determine the stability as well as the conformation. Groups of nucleotide analogs only stabilize or only destabilize the GQ, while the majority of analogs alter the GQ stability in both ways. This depends on the preferred syn or anti N-glycosidic linkage of the modified building blocks, the position of substitution, and the folding architecture of the native GQ. Natural base lesions and epigenetic modifications of GQs explored so far also stabilize or destabilize the GQ assemblies. Learning the effect of synthetic nucleotide analogs on the stability of GQs can assist in engineering a required stable GQ topology, and exploring the in vitro action of the single and clustered natural base damage on GQ architectures may provide indications for the cellular events. PMID:29181193

Human impact in naturally patched small populations: genetic structure and conservation of the burrowing rodent, tuco-tuco (Ctenomys lami).

PubMed

Lopes, Carla M; de Freitas, Thales R O

2012-01-01

Isolated or semi-isolated small populations are commonly found among species, due to a naturally patchy occupancy of suitable habitats or also as a result of habitat alterations. These populations are subject to an increased risk of local extinction because they are more vulnerable to demographic, genetic, and environmental stochasticity. Considering that natural areas have been becoming progressively more fragmented and smaller, understanding the genetic structure and evolutionary dynamics of small populations is critical. Ctenomys lami has 26 karyotypes distributed in a small area (936 km(2)) continually modified by human actions. We assessed the genetic geographical structure of this species, examining 178 specimens sampled on a fine scale, using information from chromosomal variability, mitochondrial DNA control region and cytochrome c oxidase subunit I sequences, and 14 microsatellite loci. The observed isolation-by-distance pattern and a clinal genetic variation suggest a stepping-stone population model. The results did not indicate genetic structuring associated with distinct karyotypes. However, mitochondrial and nuclear molecular markers demonstrated the existence of 2 demes, which are not completely isolated but are probably reinforced by a geographical barrier. The vulnerability of C. lami is greater than previously supposed, and our data support the designation of one Evolutionary Significant Unit and one Management Unit, and also the inclusion of this species' conservation status as vulnerable.

Population genetic structure and natural selection of Plasmodium falciparum apical membrane antigen-1 in Myanmar isolates.

PubMed

Kang, Jung-Mi; Lee, Jinyoung; Moe, Mya; Jun, Hojong; Lê, Hương Giang; Kim, Tae Im; Thái, Thị Lam; Sohn, Woon-Mok; Myint, Moe Kyaw; Lin, Khin; Shin, Ho-Joon; Kim, Tong-Soo; Na, Byoung-Kuk

2018-02-07

Plasmodium falciparum apical membrane antigen-1 (PfAMA-1) is one of leading blood stage malaria vaccine candidates. However, genetic variation and antigenic diversity identified in global PfAMA-1 are major hurdles in the development of an effective vaccine based on this antigen. In this study, genetic structure and the effect of natural selection of PfAMA-1 among Myanmar P. falciparum isolates were analysed. Blood samples were collected from 58 Myanmar patients with falciparum malaria. Full-length PfAMA-1 gene was amplified by polymerase chain reaction and cloned into a TA cloning vector. PfAMA-1 sequence of each isolate was sequenced. Polymorphic characteristics and effect of natural selection were analysed with using DNASTAR, MEGA4, and DnaSP programs. Polymorphic nature and natural selection in 459 global PfAMA-1 were also analysed. Thirty-seven different haplotypes of PfAMA-1 were identified in 58 Myanmar P. falciparum isolates. Most amino acid changes identified in Myanmar PfAMA-1 were found in domains I and III. Overall patterns of amino acid changes in Myanmar PfAMA-1 were similar to those in global PfAMA-1. However, frequencies of amino acid changes differed by country. Novel amino acid changes in Myanmar PfAMA-1 were also identified. Evidences for natural selection and recombination event were observed in global PfAMA-1. Among 51 commonly identified amino acid changes in global PfAMA-1 sequences, 43 were found in predicted RBC-binding sites, B-cell epitopes, or IUR regions. Myanmar PfAMA-1 showed similar patterns of nucleotide diversity and amino acid polymorphisms compared to those of global PfAMA-1. Balancing natural selection and intragenic recombination across PfAMA-1 are likely to play major roles in generating genetic diversity in global PfAMA-1. Most common amino acid changes in global PfAMA-1 were located in predicted B-cell epitopes where high levels of nucleotide diversity and balancing natural selection were found. These results highlight the

New Synthetic Methods for Hypericum Natural Products

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

Jeon, Insik

Organic chemistry has served as a solid foundation for interdisciplinary research areas, such as molecular biology and medicinal chemistry. An understanding of the biological activities and structural elucidations of natural products can lead to the development of clinically valuable therapeutic options. The advancements of modern synthetic methodologies allow for more elaborate and concise natural product syntheses. The theme of this study centers on the synthesis of natural products with particularly challenging structures and interesting biological activities. The synthetic expertise developed here will be applicable to analog syntheses and to other research problems.

Biomimetics: lessons from nature--an overview.

PubMed

Bhushan, Bharat

2009-04-28

Nature has developed materials, objects and processes that function from the macroscale to the nanoscale. These have gone through evolution over 3.8 Gyr. The emerging field of biomimetics allows one to mimic biology or nature to develop nanomaterials, nanodevices and processes. Properties of biological materials and surfaces result from a complex interplay between surface morphology and physical and chemical properties. Hierarchical structures with dimensions of features ranging from the macroscale to the nanoscale are extremely common in nature to provide properties of interest. Molecular-scale devices, superhydrophobicity, self-cleaning, drag reduction in fluid flow, energy conversion and conservation, high adhesion, reversible adhesion, aerodynamic lift, materials and fibres with high mechanical strength, biological self-assembly, antireflection, structural coloration, thermal insulation, self-healing and sensory-aid mechanisms are some of the examples found in nature that are of commercial interest. This paper provides a broad overview of the various objects and processes of interest found in nature and applications under development or available in the marketplace.

Structural environments of carboxyl groups in natural organic molecules from terrestrial systems. Part 2: 2D NMR spectroscopy

NASA Astrophysics Data System (ADS)

Deshmukh, Ashish P.; Pacheco, Carlos; Hay, Michael B.; Myneni, Satish C. B.

2007-07-01

Carboxyl groups are abundant in natural organic molecules (NOM) and play a major role in their reactivity. The structural environments of carboxyl groups in IHSS soil and river humic samples were investigated using 2D NMR (heteronuclear and homonuclear correlation) spectroscopy. Based on the 1H- 13C heteronuclear multiple-bond correlation (HMBC) spectroscopy results, the carboxyl environments in NOM were categorized as Type I (unsubstituted and alkyl-substituted aliphatic/alicyclic), Type II (functionalized carbon substituted), Type IIIa, b (heteroatom and olefin substituted), and Type IVa, b (5-membered heterocyclic aromatic and 6-membered aromatic). The most intense signal in the HMBC spectra comes from the Type I carboxyl groups, including the 2JCH and 3JCH couplings of unsubstituted aliphatic and alicyclic acids, though this spectral region also includes the 3JCH couplings of Type II and III structures. Type II and III carboxyls have small but detectable 2JCH correlations in all NOM samples except for the Suwannee River humic acid. Signals from carboxyls bonded to 5-membered aromatic heterocyclic fragments (Type IVa) are observed in the soil HA and Suwannee River FA, while correlations to 6-membered aromatics (Type IVb) are only observed in Suwannee River HA. In general, aromatic carboxylic acids may be present at concentrations lower than previously imagined in these samples. Vibrational spectroscopy results for these NOM samples, described in an accompanying paper [Hay M. B. and Myneni S. C. B. (2007) Structural environments of carboxyl groups in natural organic molecules from terrestrial systems. Part 1: Infrared spectroscopy. Geochim. Cosmochim. Acta (in press)], suggest that Type II and Type III carboxylic acids with α substituents (e.g., -OH, -OR, or -CO 2H) constitute the majority of carboxyl structures in all humic substances examined. Furoic and salicylic acid structures (Type IV) are also feasible fragments, albeit as minor constituents. The

Protein space: a natural method for realizing the nature of protein universe.

PubMed

Yu, Chenglong; Deng, Mo; Cheng, Shiu-Yuen; Yau, Shek-Chung; He, Rong L; Yau, Stephen S-T

2013-02-07

Current methods cannot tell us what the nature of the protein universe is concretely. They are based on different models of amino acid substitution and multiple sequence alignment which is an NP-hard problem and requires manual intervention. Protein structural analysis also gives a direction for mapping the protein universe. Unfortunately, now only a minuscule fraction of proteins' 3-dimensional structures are known. Furthermore, the phylogenetic tree representations are not unique for any existing tree construction methods. Here we develop a novel method to realize the nature of protein universe. We show the protein universe can be realized as a protein space in 60-dimensional Euclidean space using a distance based on a normalized distribution of amino acids. Every protein is in one-to-one correspondence with a point in protein space, where proteins with similar properties stay close together. Thus the distance between two points in protein space represents the biological distance of the corresponding two proteins. We also propose a natural graphical representation for inferring phylogenies. The representation is natural and unique based on the biological distances of proteins in protein space. This will solve the fundamental question of how proteins are distributed in the protein universe. Copyright © 2012 Elsevier Ltd. All rights reserved.

Structure-Activity Relationship and Molecular Mechanics Reveal the Importance of Ring Entropy in the Biosynthesis and Activity of a Natural Product.

PubMed

Tran, Hai L; Lexa, Katrina W; Julien, Olivier; Young, Travis S; Walsh, Christopher T; Jacobson, Matthew P; Wells, James A

2017-02-22

Macrocycles are appealing drug candidates due to their high affinity, specificity, and favorable pharmacological properties. In this study, we explored the effects of chemical modifications to a natural product macrocycle upon its activity, 3D geometry, and conformational entropy. We chose thiocillin as a model system, a thiopeptide in the ribosomally encoded family of natural products that exhibits potent antimicrobial effects against Gram-positive bacteria. Since thiocillin is derived from a genetically encoded peptide scaffold, site-directed mutagenesis allows for rapid generation of analogues. To understand thiocillin's structure-activity relationship, we generated a site-saturation mutagenesis library covering each position along thiocillin's macrocyclic ring. We report the identification of eight unique compounds more potent than wild-type thiocillin, the best having an 8-fold improvement in potency. Computational modeling of thiocillin's macrocyclic structure revealed a striking requirement for a low-entropy macrocycle for activity. The populated ensembles of the active mutants showed a rigid structure with few adoptable conformations while inactive mutants showed a more flexible macrocycle which is unfavorable for binding. This finding highlights the importance of macrocyclization in combination with rigidifying post-translational modifications to achieve high-potency binding.

Biomimetic-inspired joining of composite with metal structures: A survey of natural joints and application to single lap joints

NASA Astrophysics Data System (ADS)

Avgoulas, Evangelos Ioannis; Sutcliffe, Michael P. F.

2014-03-01

Joining composites with metal parts leads, inevitably, to high stress concentrations because of the material property mismatch. Since joining composite to metal is required in many high performance structures, there is a need to develop a new multifunctional approach to meet this challenge. This paper uses the biomimetics approach to help develop solutions to this problem. Nature has found many ingenious ways of joining dissimilar materials and making robust attachments, alleviating potential stress concentrations. A literature survey of natural joint systems has been carried out, identifying and analysing different natural joint methods from a mechanical perspective. A taxonomy table was developed based on the different methods/functions that nature successfully uses to attach dissimilar tissues (materials). This table is used to understand common themes or approaches used in nature for different joint configurations and functionalities. One of the key characteristics that nature uses to joint dissimilar materials is a transitional zone of stiffness in the insertion site. Several biomimetic-inspired metal-to-composite (steel-to-CFRP), adhesively bonded, Single Lap Joints (SLJs) were numerically investigated using a finite element analysis. The proposed solutions offer a transitional zone of stiffness of one joint part to reduce the material stiffness mismatch at the joint. An optimisation procedure was used to identify the variation in material stiffness which minimises potential failure of the joint. It was found that the proposed biomimetic SLJs reduce the asymmetry of the stress distribution along the adhesive area.

Naturally occurring and stress induced tubular structures from mammalian cells, a survival mechanism

PubMed Central

Wu, Yonnie; Laughlin, Richard C; Henry, David C; Krueger, Darryl E; Hudson, JoAn S; Kuan, Cheng-Yi; He, Jian; Reppert, Jason; Tomkins, Jeffrey P

2007-01-01

Background Tubular shaped mammalian cells in response to dehydration have not been previously reported. This may be due to the invisibility of these cells in aqueous solution, and because sugars and salts added to the cell culture for manipulation of the osmotic conditions inhibit transformation of normal cells into tubular shaped structures. Results We report the transformation of normal spherical mammalian cells into tubular shaped structures in response to stress. We have termed these transformed structures 'straw cells' which we have associated with a variety of human tissue types, including fresh, post mortem and frozen lung, liver, skin, and heart. We have also documented the presence of straw cells in bovine brain and prostate tissues of mice. The number of straw cells in heart, lung tissues, and collapsed straw cells in urine increases with the age of the mammal. Straw cells were also reproduced in vitro from human cancer cells (THP1, CACO2, and MCF7) and mouse stem cells (D1 and adipose D1) by dehydrating cultured cells. The tubular center of the straw cells is much smaller than the original cell; houses condensed organelles and have filamentous extensions that are covered with microscopic hair-like structures and circular openings. When rehydrated, the filaments uptake water rapidly. The straw cell walls, have a range of 120 nm to 200 nm and are composed of sulfated-glucose polymers and glycosylated acidic proteins. The transformation from normal cell to straw cells takes 5 to 8 hr in open-air. This process is characterized by an increase in metabolic activity. When rehydrated, the straw cells regain their normal spherical shape and begin to divide in 10 to 15 days. Like various types of microbial spores, straw cells are resistant to harsh environmental conditions such as UV-C radiation. Conclusion Straw cells are specialized cellular structures and not artifacts from spontaneous polymerization, which are generated in response to stress conditions, like

Cheminformatic comparison of approved drugs from natural product versus synthetic origins.

PubMed

Stratton, Christopher F; Newman, David J; Tan, Derek S

2015-11-01

Despite the recent decline of natural product discovery programs in the pharmaceutical industry, approximately half of all new drug approvals still trace their structural origins to a natural product. Herein, we use principal component analysis to compare the structural and physicochemical features of drugs from natural product-based versus completely synthetic origins that were approved between 1981 and 2010. Drugs based on natural product structures display greater chemical diversity and occupy larger regions of chemical space than drugs from completely synthetic origins. Notably, synthetic drugs based on natural product pharmacophores also exhibit lower hydrophobicity and greater stereochemical content than drugs from completely synthetic origins. These results illustrate that structural features found in natural products can be successfully incorporated into synthetic drugs, thereby increasing the chemical diversity available for small-molecule drug discovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

Beyond knowing nature: Contact, emotion, compassion, meaning, and beauty are pathways to nature connection

PubMed Central

Lumber, Ryan; Richardson, Miles; Sheffield, David

2017-01-01

Feeling connected to nature has been shown to be beneficial to wellbeing and pro-environmental behaviour. General nature contact and knowledge based activities are often used in an attempt to engage people with nature. However the specific routes to nature connectedness have not been examined systematically. Two online surveys (total n = 321) of engagement with, and value of, nature activities structured around the nine values of the Biophila Hypothesis were conducted. Contact, emotion, meaning, and compassion, with the latter mediated by engagement with natural beauty, were predictors of connection with nature, yet knowledge based activities were not. In a third study (n = 72), a walking intervention with activities operationalising the identified predictors, was found to significantly increase connection to nature when compared to walking in nature alone or walking in and engaging with the built environment. The findings indicate that contact, emotion, meaning, compassion, and beauty are pathways for improving nature connectedness. The pathways also provide alternative values and frames to the traditional knowledge and identification routes often used by organisations when engaging the public with nature. PMID:28486515

Beyond knowing nature: Contact, emotion, compassion, meaning, and beauty are pathways to nature connection.

PubMed

Lumber, Ryan; Richardson, Miles; Sheffield, David

2017-01-01

Feeling connected to nature has been shown to be beneficial to wellbeing and pro-environmental behaviour. General nature contact and knowledge based activities are often used in an attempt to engage people with nature. However the specific routes to nature connectedness have not been examined systematically. Two online surveys (total n = 321) of engagement with, and value of, nature activities structured around the nine values of the Biophila Hypothesis were conducted. Contact, emotion, meaning, and compassion, with the latter mediated by engagement with natural beauty, were predictors of connection with nature, yet knowledge based activities were not. In a third study (n = 72), a walking intervention with activities operationalising the identified predictors, was found to significantly increase connection to nature when compared to walking in nature alone or walking in and engaging with the built environment. The findings indicate that contact, emotion, meaning, compassion, and beauty are pathways for improving nature connectedness. The pathways also provide alternative values and frames to the traditional knowledge and identification routes often used by organisations when engaging the public with nature.

CamMedNP: building the Cameroonian 3D structural natural products database for virtual screening.

PubMed

Ntie-Kang, Fidele; Mbah, James A; Mbaze, Luc Meva'a; Lifongo, Lydia L; Scharfe, Michael; Hanna, Joelle Ngo; Cho-Ngwa, Fidelis; Onguéné, Pascal Amoa; Owono Owono, Luc C; Megnassan, Eugene; Sippl, Wolfgang; Efange, Simon M N

2013-04-16

Computer-aided drug design (CADD) often involves virtual screening (VS) of large compound datasets and the availability of such is vital for drug discovery protocols. We present CamMedNP - a new database beginning with more than 2,500 compounds of natural origin, along with some of their derivatives which were obtained through hemisynthesis. These are pure compounds which have been previously isolated and characterized using modern spectroscopic methods and published by several research teams spread across Cameroon. In the present study, 224 distinct medicinal plant species belonging to 55 plant families from the Cameroonian flora have been considered. About 80 % of these have been previously published and/or referenced in internationally recognized journals. For each compound, the optimized 3D structure, drug-like properties, plant source, collection site and currently known biological activities are given, as well as literature references. We have evaluated the "drug-likeness" of this database using Lipinski's "Rule of Five". A diversity analysis has been carried out in comparison with the ChemBridge diverse database. CamMedNP could be highly useful for database screening and natural product lead generation programs.

Natural Resources for Optogenetic Tools.

PubMed

Mathes, Tilo

2016-01-01

Photoreceptors are found in all kingdoms of life and mediate crucial responses to environmental challenges. Nature has evolved various types of photoresponsive protein structures with different chromophores and signaling concepts for their given purpose. The abundance of these signaling proteins as found nowadays by (meta-)genomic screens enriched the palette of optogenetic tools significantly. In addition, molecular insights into signal transduction mechanisms and design principles from biophysical studies and from structural and mechanistic comparison of homologous proteins opened seemingly unlimited possibilities for customizing the naturally occurring proteins for a given optogenetic task. Here, a brief overview on the photoreceptor concepts already established as optogenetic tools in natural or engineered form, their photochemistry and their signaling/design principles is given. Finally, so far not regarded photosensitive modules and protein architectures with potential for optogenetic application are described.

Natural rubber (NR) biosynthesis: perspectives from polymer chemistry

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

Barkakaty, Balaka

Natural rubber is an important strategic raw material for manufacturing a wide variety of industrial products. There are at least 2,500 different latex-producing plant species; however, only Hevea brasiliensis (the Brazilian rubber tree) is a commercial source. The chemical structure of natural rubber is cis-1,4-polyisoprene, but the exact structure of the head and end groups remains unknown. Since synthetic cis-1,4-polyisoprenes cannot match the superior properties of natural rubber, understanding the chemistry behind the biosynthetic process is key to finding a possible replacement. T his chapter summarizes our current understandings from the perspective of a polymer scientist by comparing synthetic polyisoprenesmore » to natural rubber. The chapter also highlights biomimetic polymerization, research towards a synthetic match of natural rubber and the role of natural rubber in health care.« less

Fe(II) sorption on pyrophyllite: Effect of structural Fe(III) (impurity) in pyrophyllite on nature of layered double hydroxide (LDH) secondary mineral formation

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

Starcher, Autumn N.; Li, Wei; Kukkadapu, Ravi K.

Fe(II)-Al(III)-LDH (layered double hydroxide) phases have been shown to form from reactions of aqueous Fe(II) with Fe-free Al-bearing minerals (phyllosilicate/clays and Al-oxides). To our knowledge, the effect of small amounts of structural Fe(III) impurities in “neutral” clays on such reactions, however, were not studied. In this study to understand the role of structural Fe(III) impurity in clays, laboratory batch studies with pyrophyllite (10 g/L), an Al-bearing phyllosilicate, containing small amounts of structural Fe(III) impurities and 0.8 mM and 3 mM Fe(II) (both natural and enriched in 57Fe) were carried out at pH 7.5 under anaerobic conditions (4% H2 – 96%more » N2 atmosphere). Samples were taken up to 4 weeks for analysis by Fe-X-ray absorption spectroscopy and 57Fe Mössbauer spectroscopy. In addition to the precipitation of Fe(II)-Al(III)-LDH phases as observed in earlier studies with pure minerals (no Fe(III) impurities in the minerals), the analyses indicated formation of small amounts of Fe(III) containing solid(s), most probably hybrid a Fe(II)-Al(III)/Fe(III)-LDH phase. The mechanism of Fe(II) oxidation was not apparent but most likely was due to interfacial electron transfer from the sorbed Fe(II) to the structural Fe(III) and/or surface-sorption-induced electron-transfer from the sorbed Fe(II) to the clay lattice. Increase in the Fe(II)/Al ratio of the LDH with reaction time further indicated the complex nature of the samples. This research provides evidence for the formation of both Fe(II)-Al(III)-LDH and Fe(II)-Fe(III)/Al(III)-LDH-like phases during reactions of Fe(II) in systems that mimic the natural environments. Better understanding Fe phase formation in complex laboratory studies will improve models of natural redox systems.« less

Reactions of hexadehydro-Diels-Alder benzynes with structurally complex multifunctional natural products

NASA Astrophysics Data System (ADS)

Ross, Sean P.; Hoye, Thomas R.

2017-06-01

An important question in organic chemistry concerns the extent to which benzynes—one of the classical reactive intermediates in organic chemistry—can react in discriminating fashion with trapping reagents. In particular, whether these species can react selectively with substrates containing multiple functional groups and possible sites of reactivity has remained unanswered. Natural products comprise a palette of multifunctional compounds with which to address this question. Here, we show that benzynes produced by the hexadehydro-Diels-Alder (HDDA) reaction react with many secondary metabolites with a preference for one among several pathways. Examples demonstrating such selectivity include reactions with: phenolics, through dearomatizing ortho-substitution; alkaloids, through Hofmann-type elimination; tropolone and furan, through cycloaddition; and alkaloids, through three-component fragmentation-coupling reactions. We also demonstrate that the cinchona alkaloids quinidine and quinine give rise to products (some in as few as three steps) that enable subsequent and rapid access to structurally diverse polyheterocyclic compounds. The results show that benzynes are quite discriminating in their reactivity—a trait perhaps not broadly enough appreciated.

Genetic diversity and structure of managed and semi-natural populations of cocoa (Theobroma cacao) in the Huallaga and Ucayali Valleys of Peru.

PubMed

Zhang, Dapeng; Arevalo-Gardini, Enrique; Mischke, Sue; Zúñiga-Cernades, Luis; Barreto-Chavez, Alejandro; Del Aguila, Jorge Adriazola

2006-09-01

Cocoa (Theobroma cacao) is indigenous to the Amazon region of South America, and it is well known that the Peruvian Amazon harbours a large number of diverse cocoa populations. A small fraction of the diversity has been collected and maintained as an ex-situ germplasm repository in Peru. However, incorrect labelling of accessions and lack of information on genetic diversity have hindered efficient conservation and use of this germplasm. This study targeted assessment of genetic diversity and population structure in a managed and a semi-natural population. Using a capillary electrophoresis genotyping system, 105 cocoa accessions collected from the Huallaga and Ucayali valleys of Peru were fingerprinted. Based on 15 loci SSR profiles, genetic identity was examined for each accession and duplicates identified, population structure assessed and genetic diversity analysed in these two populations. Ten synonymous mislabelled groups were identified among the 105 accessions. The germplasm group in the Huallaga valley was clearly separated from the group in Ucayali valley by the Bayesian assignment test. The Huallaga group has lower genetic diversity, both in terms of allelic richness and of gene diversity, than the Ucayali group. Analysis of molecular variance suggested genetic substructure in the Ucayali group. Significant spatial correlation between genetic distance and geographical distances was detected in the Ucayali group by Mantel tests. These results substantiate the hypothesis that the Peruvian Amazon hosts a high level of cocoa genetic diversity, and the diversity has a spatial structure. The introduction of exotic seed populations into the Peruvian Amazon is changing the cocoa germplasm spectrum in this region. The spatial structure of cocoa diversity recorded here highlights the need for additional collecting and conservation measures for natural and semi-natural cocoa populations.

Genetic Diversity and Structure of Managed and Semi-natural Populations of Cocoa (Theobroma cacao) in the Huallaga and Ucayali Valleys of Peru

PubMed Central

ZHANG, DAPENG; AREVALO-GARDINI, ENRIQUE; MISCHKE, SUE; ZÚÑIGA-CERNADES, LUIS; BARRETO-CHAVEZ, ALEJANDRO; AGUILA, JORGE ADRIAZOLA DEL

2006-01-01

• Background and Aims Cocoa (Theobroma cacao) is indigenous to the Amazon region of South America, and it is well known that the Peruvian Amazon harbours a large number of diverse cocoa populations. A small fraction of the diversity has been collected and maintained as an ex-situ germplasm repository in Peru. However, incorrect labelling of accessions and lack of information on genetic diversity have hindered efficient conservation and use of this germplasm. This study targeted assessment of genetic diversity and population structure in a managed and a semi-natural population. •Methods Using a capillary electrophoresis genotyping system, 105 cocoa accessions collected from the Huallaga and Ucayali valleys of Peru were fingerprinted. Based on 15 loci SSR profiles, genetic identity was examined for each accession and duplicates identified, population structure assessed and genetic diversity analysed in these two populations. •Key Results Ten synonymous mislabelled groups were identified among the 105 accessions. The germplasm group in the Huallaga valley was clearly separated from the group in Ucayali valley by the Bayesian assignment test. The Huallaga group has lower genetic diversity, both in terms of allelic richness and of gene diversity, than the Ucayali group. Analysis of molecular variance suggested genetic substructure in the Ucayali group. Significant spatial correlation between genetic distance and geographical distances was detected in the Ucayali group by Mantel tests. •Conclusions These results substantiate the hypothesis that the Peruvian Amazon hosts a high level of cocoa genetic diversity, and the diversity has a spatial structure. The introduction of exotic seed populations into the Peruvian Amazon is changing the cocoa germplasm spectrum in this region. The spatial structure of cocoa diversity recorded here highlights the need for additional collecting and conservation measures for natural and semi-natural cocoa populations. PMID:16845139

Absolute band structure determination on naturally occurring rutile with complex chemistry: Implications for mineral photocatalysis on both Earth and Mars

NASA Astrophysics Data System (ADS)

Li, Yan; Xu, Xiaoming; Li, Yanzhang; Ding, Cong; Wu, Jing; Lu, Anhuai; Ding, Hongrui; Qin, Shan; Wang, Changqiu

2018-05-01

Rutile is the most common and stable form of TiO2 that ubiquitously existing on Earth and other terrestrial planets like Mars. Semiconducting mineral such as rutile-based photoredox reactions have been considered to play important roles in geological times. However, due to the inherent complexity in chemistry, the precision determination on band structure of natural rutile and the theoretical explanation on its solar-driven photochemistry have been hardly seen yet. Considering the multiple minor and trace elements in natural rutile, we firstly obtained the single-crystal crystallography, mineralogical composition and defects characteristic of the rutile sample by using both powder and single crystal X-ray diffraction, electron microprobe analysis and X-ray photoelectron spectroscopy. Then, the band gap was accurately determined by synchrotron-based O K-edge X-ray absorption and emission spectra, which was firstly applied to natural rutile due to its robustness on compositions and defects. The absolute band edges of the rutile sample was calculated by considering the electronegativity of the atoms, band gap and point of zero charge. Besides, after detecting the defect energy levels by photoluminescence spectra, we drew the schematic band structure of natural rutile. The band gap (2.7 eV) of natural rutile was narrower than that of synthetic rutile (3.0 eV), and the conduction and valence band edges of natural rutile at pH = pHPZC were determined to be -0.04 V and 2.66 V (vs. NHE), respectively. The defect energy levels located at nearly the middle position of the forbidden band. Further, we used theoretical calculations to verify the isomorphous substitution of Fe and V for Ti gave rise to the distortion of TiO6 octahedron and created vacancy defects in natural rutile. Based on density functional theory, the narrowed band gap was interpreted to the contribution of Fe-3d and V-3d orbits, and the defect energy state was formed by hybridization of O-2p and Fe/V/Ti-3d

Raman spectrum of natural and synthetic stishovite

USGS Publications Warehouse

Hemley, R.J.; Mao, Ho-kwang; Chao, E.C.T.

1986-01-01

Raman spectra of natural and synthetic samples of stishovite have been measured with a micro-optical spectrometer system. These spectra have a pattern that is characteristic of rutile-structured oxides. The spectrum of synthetic stishovite is characterized by well-resolved bands at 231, 589, 753, and 967 cm-1, which are assigned as the B1g, Eg, A1g, and B2g fundamentals, respectively, of the first-order Raman spectrum of the ideal, ordered structure. Natural stishovite obtained from Meteor Crater, Arizona has a first-order Raman spectrum that is fully consistent with that of the synthetic material. The observed spectrum of the natural sample, however, is weaker and has bands in addition to those identified as fundamentals in the spectrum of the synthetic material. A broad band at ???475 cm-1 may be indicative of glass or contaminants derived from the extraction procedure. Alternatively, this band may arise from multiphonon scattering that is enhanced by poor crystallinity or structural disorder in the natural shocked sample. ?? 1986 Springer-Verlag.

Superhydrophobic Natural and Artificial Surfaces-A Structural Approach.

PubMed

Avrămescu, Roxana-Elena; Ghica, Mihaela Violeta; Dinu-Pîrvu, Cristina; Prisada, Răzvan; Popa, Lăcrămioara

2018-05-22

Since ancient times humans observed animal and plants features and tried to adapt them according to their own needs. Biomimetics represents the foundation of many inventions from various fields: From transportation devices (helicopter, airplane, submarine) and flying techniques, to sports' wear industry (swimming suits, scuba diving gear, Velcro closure system), bullet proof vests made from Kevlar etc. It is true that nature provides numerous noteworthy models (shark skin, spider web, lotus leaves), referring both to the plant and animal kingdom. This review paper summarizes a few of "nature's interventions" in human evolution, regarding understanding of surface wettability and development of innovative special surfaces. Empirical models are described in order to reveal the science behind special wettable surfaces (superhydrophobic /superhydrophilic). Materials and methods used in order to artificially obtain special wettable surfaces are described in correlation with plants' and animals' unique features. Emphasis is placed on joining superhydrophobic and superhydrophilic surfaces, with important applications in cell culturing, microorganism isolation/separation and molecule screening techniques. Bio-inspired wettability is presented as a constitutive part of traditional devices/systems, intended to improve their characteristics and extend performances.

Influence of environmental variables on the structure and composition of soil bacterial communities in natural and constructed wetlands.

PubMed

Arroyo, Paula; Sáenz de Miera, Luis E; Ansola, Gemma

2015-02-15

Bacteria are key players in wetland ecosystems, however many essential aspects regarding the ecology of wetland bacterial communities remain unknown. The present study characterizes soil bacterial communities from natural and constructed wetlands through the pyrosequencing of 16S rDNA genes in order to evaluate the influence of wetland variables on bacterial community composition and structure. The results show that the composition of soil bacterial communities was significantly associated with the wetland type (natural or constructed wetland), the type of environment (lagoon, Typha or Salix) and three continuous parameters (SOM, COD and TKN). However, no clear associations were observed with soil pH. Bacterial diversity values were significantly lower in the constructed wetland with the highest inlet nutrient concentrations. The abundances of particular metabolic groups were also related to wetland characteristics. Copyright © 2014 Elsevier B.V. All rights reserved.

Text String Detection from Natural Scenes by Structure-based Partition and Grouping

PubMed Central

Yi, Chucai; Tian, YingLi

2012-01-01

Text information in natural scene images serves as important clues for many image-based applications such as scene understanding, content-based image retrieval, assistive navigation, and automatic geocoding. However, locating text from complex background with multiple colors is a challenging task. In this paper, we explore a new framework to detect text strings with arbitrary orientations in complex natural scene images. Our proposed framework of text string detection consists of two steps: 1) Image partition to find text character candidates based on local gradient features and color uniformity of character components. 2) Character candidate grouping to detect text strings based on joint structural features of text characters in each text string such as character size differences, distances between neighboring characters, and character alignment. By assuming that a text string has at least three characters, we propose two algorithms of text string detection: 1) adjacent character grouping method, and 2) text line grouping method. The adjacent character grouping method calculates the sibling groups of each character candidate as string segments and then merges the intersecting sibling groups into text string. The text line grouping method performs Hough transform to fit text line among the centroids of text candidates. Each fitted text line describes the orientation of a potential text string. The detected text string is presented by a rectangle region covering all characters whose centroids are cascaded in its text line. To improve efficiency and accuracy, our algorithms are carried out in multi-scales. The proposed methods outperform the state-of-the-art results on the public Robust Reading Dataset which contains text only in horizontal orientation. Furthermore, the effectiveness of our methods to detect text strings with arbitrary orientations is evaluated on the Oriented Scene Text Dataset collected by ourselves containing text strings in non

Text string detection from natural scenes by structure-based partition and grouping.

PubMed

Yi, Chucai; Tian, YingLi

2011-09-01

Text information in natural scene images serves as important clues for many image-based applications such as scene understanding, content-based image retrieval, assistive navigation, and automatic geocoding. However, locating text from a complex background with multiple colors is a challenging task. In this paper, we explore a new framework to detect text strings with arbitrary orientations in complex natural scene images. Our proposed framework of text string detection consists of two steps: 1) image partition to find text character candidates based on local gradient features and color uniformity of character components and 2) character candidate grouping to detect text strings based on joint structural features of text characters in each text string such as character size differences, distances between neighboring characters, and character alignment. By assuming that a text string has at least three characters, we propose two algorithms of text string detection: 1) adjacent character grouping method and 2) text line grouping method. The adjacent character grouping method calculates the sibling groups of each character candidate as string segments and then merges the intersecting sibling groups into text string. The text line grouping method performs Hough transform to fit text line among the centroids of text candidates. Each fitted text line describes the orientation of a potential text string. The detected text string is presented by a rectangle region covering all characters whose centroids are cascaded in its text line. To improve efficiency and accuracy, our algorithms are carried out in multi-scales. The proposed methods outperform the state-of-the-art results on the public Robust Reading Dataset, which contains text only in horizontal orientation. Furthermore, the effectiveness of our methods to detect text strings with arbitrary orientations is evaluated on the Oriented Scene Text Dataset collected by ourselves containing text strings in nonhorizontal

Presence of 1/f noise in the temporal structure of psychoacoustic parameters of natural and urban sounds.

PubMed

Yang, Ming; De Coensel, Bert; Kang, Jian

2015-08-01

1/f noise or pink noise, which has been shown to be universal in nature, has also been observed in the temporal envelope of music, speech, and environmental sound. Moreover, the slope of the spectral density of the temporal envelope of music has been shown to correlate well to its pleasing, dull, or chaotic character. In this paper, the temporal structure of a number of instantaneous psychoacoustic parameters of environmental sound is examined in order to investigate whether a 1/f temporal structure appears in various types of sound that are generally preferred by people in everyday life. The results show, to some extent, that different categories of environmental sounds have different temporal structure characteristics. Only a number of urban sounds considered and birdsong, generally, exhibit 1/f behavior on short to medium duration time scales, i.e., from 0.1 s to 10 s, in instantaneous loudness and sharpness, whereas a more chaotic variation is found in birdsong at longer time scales, i.e., of 10 s-200 s. The other sound categories considered exhibit random or monotonic variations in the different time scales. In general, this study shows that a 1/f temporal structure is not necessarily present in environmental sounds that are commonly perceived as pleasant.

Natural fibers

Treesearch

Craig M. Clemons

2010-01-01

The term “natural fibers” covers a broad range of vegetable, animal, and mineral fibers. However, in the composites industry, it usually refers to wood fiber and plant-based bast, leaf, seed, and stem fibers. These fibers often contribute greatly to the structural performance of the plant and, when used in plastic composites, can provide significant reinforcement....

Natural fibers

Treesearch

Craig M. Clemons; Daniel F. Caulfield

2005-01-01

The term “natural fibers” covers a broad range of vegetable, animal, and mineral fibers. However, in the composites industry, it usually refers to wood fiber and agrobased bast, leaf, seed, and stem fibers. These fibers often contribute greatly to the structural performance of the plant and, when used in plastic composites, can provide significant reinforcement. Below...

Decadal changes in the structure of Cymodocea nodosa seagrass meadows: Natural vs. human influences

NASA Astrophysics Data System (ADS)

Tuya, Fernando; Ribeiro-Leite, Luís; Arto-Cuesta, Noelia; Coca, Josep; Haroun, Ricardo; Espino, Fernando

2014-01-01

Seagrass meadows are deteriorating worldwide. However, numerous declines are still unreported, which avoid accurate evaluations of seagrass global trends. This is particularly relevant for the western African coast and nearby oceanic archipelagos in the eastern Atlantic. The seagrass Cymodocea nodosa is an 'ecological engineer' on shallow soft bottoms of the Canary Islands. A comparative decadal study was conducted in 21 C. nodosa seagrass meadows at Gran Canaria Island to compare the structure (shoot density, leaf length and cover) between 2003 and 2012. Overall, 11 meadows exhibited a severe regression, while 10 remained relatively stable. During this period, natural influences (sea surface temperature, Chlorophyll-a concentration and PAR light, as well as the number of storm episodes detaching seagrasses) had a low predictive power on temporal patterns in seagrass structure. In contrast, proximity from a range of human-mediated influences (e.g. the number of outfalls and ports) seem to be related to the loss of seagrass; the rate of seagrass erosion between 2003 and 2012 was significantly predicted by the number of human-mediated impacts around each meadow. This result highlights promoting management actions to conserve meadows of C. nodosa at the study region through efficient management of local impacts.

Tangled nature model of evolutionary dynamics reconsidered: Structural and dynamical effects of trait inheritance

NASA Astrophysics Data System (ADS)

Andersen, Christian Walther; Sibani, Paolo

2016-05-01

Based on the stochastic dynamics of interacting agents which reproduce, mutate, and die, the tangled nature model (TNM) describes key emergent features of biological and cultural ecosystems' evolution. While trait inheritance is not included in many applications, i.e., the interactions of an agent and those of its mutated offspring are taken to be uncorrelated, in the family of TNMs introduced in this work correlations of varying strength are parametrized by a positive integer K . We first show that the interactions generated by our rule are nearly independent of K . Consequently, the structural and dynamical effects of trait inheritance can be studied independently of effects related to the form of the interactions. We then show that changing K strengthens the core structure of the ecology, leads to population abundance distributions better approximated by log-normal probability densities, and increases the probability that a species extant at time tw also survives at t >tw . Finally, survival probabilities of species are shown to decay as powers of the ratio t /tw , a so-called pure aging behavior usually seen in glassy systems of physical origin. We find a quantitative dynamical effect of trait inheritance, namely, that increasing the value of K numerically decreases the decay exponent of the species survival probability.

Tangled nature model of evolutionary dynamics reconsidered: Structural and dynamical effects of trait inheritance.

PubMed

Andersen, Christian Walther; Sibani, Paolo

2016-05-01

Based on the stochastic dynamics of interacting agents which reproduce, mutate, and die, the tangled nature model (TNM) describes key emergent features of biological and cultural ecosystems' evolution. While trait inheritance is not included in many applications, i.e., the interactions of an agent and those of its mutated offspring are taken to be uncorrelated, in the family of TNMs introduced in this work correlations of varying strength are parametrized by a positive integer K. We first show that the interactions generated by our rule are nearly independent of K. Consequently, the structural and dynamical effects of trait inheritance can be studied independently of effects related to the form of the interactions. We then show that changing K strengthens the core structure of the ecology, leads to population abundance distributions better approximated by log-normal probability densities, and increases the probability that a species extant at time t_{w} also survives at t>t_{w}. Finally, survival probabilities of species are shown to decay as powers of the ratio t/t_{w}, a so-called pure aging behavior usually seen in glassy systems of physical origin. We find a quantitative dynamical effect of trait inheritance, namely, that increasing the value of K numerically decreases the decay exponent of the species survival probability.

Effective structural descriptors for natural and engineered radioactive waste confinement barriers

NASA Astrophysics Data System (ADS)

Lemmens, Laurent; Rogiers, Bart; De Craen, Mieke; Laloy, Eric; Jacques, Diederik; Huysmans, Marijke; Swennen, Rudy; Urai, Janos L.; Desbois, Guillaume

2017-04-01

The microstructure of a radioactive waste confinement barrier strongly influences its flow and transport properties. Numerical flow and transport simulations for these porous media at the pore scale therefore require input data that describe the microstructure as accurately as possible. To date, no imaging method can resolve all heterogeneities within important radioactive waste confinement barrier materials as hardened cement paste and natural clays at the micro scale (nm-cm). Therefore, it is necessary to merge information from different 2D and 3D imaging methods using porous media reconstruction techniques. To qualitatively compare the results of different reconstruction techniques, visual inspection might suffice. To quantitatively compare training-image based algorithms, Tan et al. (2014) proposed an algorithm using an analysis of distance. However, the ranking of the algorithm depends on the choice of the structural descriptor, in their case multiple-point or cluster-based histograms. We present here preliminary work in which we will review different structural descriptors and test their effectiveness, for capturing the main structural characteristics of radioactive waste confinement barrier materials, to determine the descriptors to use in the analysis of distance. The investigated descriptors are particle size distributions, surface area distributions, two point probability functions, multiple point histograms, linear functions and two point cluster functions. The descriptor testing consists of stochastically generating realizations from a reference image using the simulated annealing optimization procedure introduced by Karsanina et al. (2015). This procedure basically minimizes the differences between pre-specified descriptor values associated with the training image and the image being produced. The most efficient descriptor set can therefore be identified by comparing the image generation quality among the tested descriptor combinations. The assessment

Structure-Activity Relationship Studies Using Natural and Synthetic Okadaic Acid/Dinophysistoxin Toxins.

PubMed

Twiner, Michael J; Doucette, Gregory J; Pang, Yucheng; Fang, Chao; Forsyth, Craig J; Miles, Christopher O

2016-11-04

Okadaic acid (OA) and the closely related dinophysistoxins (DTXs) are algal toxins that accumulate in shellfish and are known serine/threonine protein phosphatase (ser/thr PP) inhibitors. Phosphatases are important modulators of enzyme activity and cell signaling pathways. However, the interactions between the OA/DTX toxins and phosphatases are not fully understood. This study sought to identify phosphatase targets and characterize their structure-activity relationships (SAR) with these algal toxins using a combination of phosphatase activity and cytotoxicity assays. Preliminary screening of 21 human and yeast phosphatases indicated that only three ser/thr PPs (PP2a, PP1, PP5) were inhibited by physiologically saturating concentrations of DTX2 (200 nM). SAR studies employed naturally-isolated OA, DTX1, and DTX2, which vary in degree and/or position of methylation, in addition to synthetic 2- epi -DTX2. OA/DTX analogs induced cytotoxicity and inhibited PP activity with a relatively conserved order of potency: OA = DTX1 ≥ DTX2 > 2- epi -DTX. The PPs were also differentially inhibited with sensitivities of PP2a > PP5 > PP1. These findings demonstrate that small variations in OA/DTX toxin structures, particularly at the head region (i.e., C1/C2), result in significant changes in toxicological potency, whereas changes in methylation at C31 and C35 (tail region) only mildly affect potency. In addition to this being the first study to extensively test OA/DTX analogs' activities towards PP5, these data will be helpful for accurately determining toxic equivalence factors (TEFs), facilitating molecular modeling efforts, and developing highly selective phosphatase inhibitors.

Sweetness prediction of natural compounds.

PubMed

Chéron, Jean-Baptiste; Casciuc, Iuri; Golebiowski, Jérôme; Antonczak, Serge; Fiorucci, Sébastien

2017-04-15

Based on the most exhaustive database of sweeteners with known sweetness values, a new quantitative structure-activity relationship model for sweetness prediction has been set up. Analysis of the physico-chemical properties of sweeteners in the database indicates that the structure of most potent sweeteners combines a hydrophobic scaffold functionalized by a limited number of hydrogen bond sites (less than 4 hydrogen bond donors and 10 acceptors), with a moderate molecular weight ranging from 350 to 450g·mol -1 . Prediction of sweetness, bitterness and toxicity properties of the largest database of natural compounds have been performed. In silico screening reveals that the majority of the predicted natural intense sweeteners comprise saponin or stevioside scaffolds. The model highlights that their sweetness potency is comparable to known natural sweeteners. The identified compounds provide a rational basis to initiate the design and chemosensory analysis of new low-calorie sweeteners. Copyright © 2016 Elsevier Ltd. All rights reserved.

Tectonic evolution of the Neoproterozoic Tandilia sedimentary cover, Argentina: New evidence of contraction and extensional events in the southwest Gondwana margin

NASA Astrophysics Data System (ADS)

Hernández, Mariano; Arrouy, María Julia; Scivetti, Nicolás; Franzese, Juan R.; Canalicchio, José M.; Poiré, Daniel G.

2017-11-01

At the northwestern portion of the Tandilia System, a detailed structural analysis on the Precambrian sedimentary units exposed in the quarries of the Olavarría-Sierras Bayas area was carried out. These units exhibit deformational structures of several scales, from centimeters to hundreds of meters. The hundreds of meters scale involves E-W- and NW-SE-trending normal faults and NW-SE- and NE-SW-trending contractional folds. The centimeters to meters scale involves veins, joints, normal faults, shear fractures and stylolites, with a prevailing ∼ E-W to NW-SE trend. All these structures were formed by two major tectonic events. The first was the folding event at ∼580 Ma, with NNE-SSW to NE-SW and NW-SE direction of contraction. The second was the extensional faulting event, given by the widespread NNE-SSW-directed extension event during the Atlantic Ocean opening (Jurassic-Cretaceous). Both major events would have been controlled by the reactivation of basement anisotropies. These major tectonic events controlled the deformation of the Precambrian sedimentary cover of the Tandilia system, leading to an economically important aspect in the mining development of the Olavarría-Sierras Bayas area.

(In) Sensitivity to spatial distortion in natural scenes

PubMed Central

Bex, Peter J.

2010-01-01

The perception of object structure in the natural environment is remarkably stable under large variation in image size and projection, especially given our insensitivity to spatial position outside the fovea. Sensitivity to periodic spatial distortions that were introduced into one quadrant of gray-scale natural images was measured in a 4AFC task. Observers were able to detect the presence of distortions in unfamiliar images even though they did not significantly affect the amplitude spectrum. Sensitivity depended on the spatial period of the distortion and on the image structure at the location of the distortion. The results suggest that the detection of distortion involves decisions made in the late stages of image perception and is based on an expectation of the typical structure of natural scenes. PMID:20462324

The analysis of cable forces based on natural frequency

NASA Astrophysics Data System (ADS)

Suangga, Made; Hidayat, Irpan; Juliastuti; Bontan, Darwin Julius

2017-12-01

A cable is a flexible structural member that is effective at resisting tensile forces. Cables are used in a variety of structures that employ their unique characteristics to create efficient design tension members. The condition of the cable forces in the cable supported structure is an important indication of judging whether the structure is in good condition. Several methods have been developed to measure on site cable forces. Vibration technique using correlation between natural frequency and cable forces is a simple method to determine in situ cable forces, however the method need accurate information on the boundary condition, cable mass, and cable length. The natural frequency of the cable is determined using FFT (Fast Fourier Transform) Technique to the acceleration record of the cable. Based on the natural frequency obtained, the cable forces then can be determine by analytical or by finite element program. This research is focus on the vibration techniques to determine the cable forces, to understand the physical parameter effect of the cable and also modelling techniques to the natural frequency and cable forces.

Electrospinning of PVC with natural rubber

NASA Astrophysics Data System (ADS)

Othman, Muhammad Hariz; Mohamed, Mahathir; Abdullah, Ibrahim

2013-11-01

Polyvinyl chloride (PVC) was mixed with natural rubbers which are liquid natural rubber (LNR), liquid epoxidised natural rubber (LENR) and liquid epoxidised natural rubber acrylate (LENRA) for a preparation of a fine non-woven fiber's mat. PVC and each natural rubbers(PVC:LENR, PVC:LNR and PVC:LENRA) were mixed based on ratio of 70:30. Electrospinning method was used to prepare the fiber. The results show that the spinnable concentration of PVC/ natural rubber/THF solution is 16 wt%. The morphology, diameter, structure and degradation temperature of electrospun fibers were investigated by scanning electron microscopy (SEM) and thermogravimetric analysis (TGA). SEM photos showed that the morphology and diameter of the fibers were mainly affected by the addition of natural rubber. TGA results suggested that PVC electrospun fiber has higher degradation temperature than those electrospun fibers that contain natural rubber.

Data Resources for the Computer-Guided Discovery of Bioactive Natural Products.

PubMed

Chen, Ya; de Bruyn Kops, Christina; Kirchmair, Johannes

2017-09-25

Natural products from plants, animals, marine life, fungi, bacteria, and other organisms are an important resource for modern drug discovery. Their biological relevance and structural diversity make natural products good starting points for drug design. Natural product-based drug discovery can benefit greatly from computational approaches, which are a valuable precursor or supplementary method to in vitro testing. We present an overview of 25 virtual and 31 physical natural product libraries that are useful for applications in cheminformatics, in particular virtual screening. The overview includes detailed information about each library, the extent of its structural information, and the overlap between different sources of natural products. In terms of chemical structures, there is a large overlap between freely available and commercial virtual natural product libraries. Of particular interest for drug discovery is that at least ten percent of known natural products are readily purchasable and many more natural products and derivatives are available through on-demand sourcing, extraction and synthesis services. Many of the readily purchasable natural products are of small size and hence of relevance to fragment-based drug discovery. There are also an increasing number of macrocyclic natural products and derivatives becoming available for screening.

Controls on bacterial and archaeal community structure and greenhouse gas production in natural, mined, and restored Canadian peatlands

PubMed Central

Basiliko, Nathan; Henry, Kevin; Gupta, Varun; Moore, Tim R.; Driscoll, Brian T.; Dunfield, Peter F.

2013-01-01

Northern peatlands are important global C reservoirs, largely because of their slow rates of microbial C mineralization. Particularly in sites that are heavily influenced by anthropogenic disturbances, there is scant information about microbial ecology and whether or not microbial community structure influences greenhouse gas production. This work characterized communities of bacteria and archaea using terminal restriction fragment length polymorphism (T-RFLP) and sequence analysis of 16S rRNA and functional genes across eight natural, mined, or restored peatlands in two locations in eastern Canada. Correlations were explored among chemical properties of peat, bacterial and archaeal community structure, and carbon dioxide (CO2) and methane (CH4) production rates under oxic and anoxic conditions. Bacteria and archaea similar to those found in other peat soil environments were detected. In contrast to other reports, methanogen diversity was low in our study, with only 2 groups of known or suspected methanogens. Although mining and restoration affected substrate availability and microbial activity, these land-uses did not consistently affect bacterial or archaeal community composition. In fact, larger differences were observed between the two locations and between oxic and anoxic peat samples than between natural, mined, and restored sites, with anoxic samples characterized by less detectable bacterial diversity and stronger dominance by members of the phylum Acidobacteria. There were also no apparent strong linkages between prokaryote community structure and CH4 or CO2 production, suggesting that different organisms exhibit functional redundancy and/or that the same taxa function at very different rates when exposed to different peat substrates. In contrast to other earlier work focusing on fungal communities across similar mined and restored peatlands, bacterial and archaeal communities appeared to be more resistant or resilient to peat substrate changes brought

Relationships between the structure of natural organic matter and its reactivity towards molecular ozone and hydroxyl radicals

USGS Publications Warehouse

Westerhoff, P.; Aiken, G.; Amy, G.; Debroux, J.

1999-01-01

Oxidation reaction rate parameters for molecular ozone (O3) and hydroxyl (HO) radicals with a variety of hydrophobic organic acids (HOAs) isolated from different geographic locations were determined from batch ozonation studies. Rate parameter values, obtained under equivalent dissolved organic carbon concentrations in both the presence and absence of non-NOM HO radical scavengers, varied as a function of NOM structure. First-order rate constants for O3 consumption (k(O3)) averaged 8.8 x 10-3 s-1, ranging from 3.9 x 10-3 s-1 for a groundwater HOA to > 16 x 10-3 s-1 for river HOAs with large terrestrial carbon inputs. The average second-order rate constant (k(HO,DOC) between HO radicals and NOM was 3.6 x 108 l (mol C)-1 s-1; a mass of 12 g C per mole C was used in all calculations. Specific ultraviolet absorbance (SUVA) at 254 or 280 nm of the HOAs correlated well (r > 0.9) with O3 consumption rate parameters, implying that organic ??-electrons strongly and selectively influence oxidative reactivity. HO radical reactions with NOM were less selective, although correlation between k(HO,DOC) and SUVA existed. Other physical-chemical properties of NOM, such as aromatic and aliphatic carbon content from 13C-NMR spectroscopy, proved less sensitive for predicting oxidation reactivity than SUVA. The implication of this study is that the structural nature of NOM varies temporally and spatially in a water source, and both the nature and amount of NOM will influence oxidation rates.

The Effect of Naturally Occurring Chronic Kidney Disease on the Micro-Structural and Mechanical Properties of Bone

PubMed Central

Meltzer, Hagar; Milrad, Moran; Brenner, Ori; Atkins, Ayelet; Shahar, Ron

2014-01-01

Chronic kidney disease (CKD) is a growing public health concern worldwide, and is associated with marked increase of bone fragility. Previous studies assessing the effect of CKD on bone quality were based on biopsies from human patients or on laboratory animal models. Such studies provide information of limited relevance due to the small size of the samples (biopsies) or the non-physiologic CKD syndrome studied (rodent models with artificially induced CKD). Furthermore, the type, architecture, structure and biology of the bone of rodents are remarkably different from human bones; therefore similar clinicopathologic circumstances may affect their bones differently. We describe the effects of naturally occurring CKD with features resembling human CKD on the skeleton of cats, whose bone biology, structure and composition are remarkably similar to those of humans. We show that CKD causes significant increase of resorption cavity density compared with healthy controls, as well as significantly lower cortical mineral density, cortical cross-sectional area and cortical cross-sectional thickness. Young's modulus, yield stress, and ultimate stress of the cortical bone material were all significantly decreased in the skeleton of CKD cats. Cancellous bone was also affected, having significantly lower trabecular thickness and bone volume over total volume in CKD cats compared with controls. This study shows that naturally occurring CKD has deleterious effects on bone quality and strength. Since many similarities exist between human and feline CKD patients, including the clinicopathologic features of the syndrome and bone microarchitecture and biology, these results contribute to better understanding of bone abnormalities associated with CKD. PMID:25333360

Structure-Thermodynamics-Antioxidant Activity Relationships of Selected Natural Phenolic Acids and Derivatives: An Experimental and Theoretical Evaluation

PubMed Central

Zheng, Jie; Liang, Guizhao

2015-01-01

Phenolic acids and derivatives have potential biological functions, however, little is known about the structure-activity relationships and the underlying action mechanisms of these phenolic acids to date. Herein we investigate the structure-thermodynamics-antioxidant relationships of 20 natural phenolic acids and derivatives using DPPH• scavenging assay, density functional theory calculations at the B3LYP/6-311++G(d,p) levels of theory, and quantitative structure-activity relationship (QSAR) modeling. Three main working mechanisms (HAT, SETPT and SPLET) are explored in four micro-environments (gas-phase, benzene, water and ethanol). Computed thermodynamics parameters (BDE, IP, PDE, PA and ETE) are compared with the experimental radical scavenging activities against DPPH•. Available theoretical and experimental investigations have demonstrated that the extended delocalization and intra-molecular hydrogen bonds are the two main contributions to the stability of the radicals. The C = O or C = C in COOH, COOR, C = CCOOH and C = CCOOR groups, and orthodiphenolic functionalities are shown to favorably stabilize the specific radical species to enhance the radical scavenging activities, while the presence of the single OH in the ortho position of the COOH group disfavors the activities. HAT is the thermodynamically preferred mechanism in the gas phase and benzene, whereas SPLET in water and ethanol. Furthermore, our QSAR models robustly represent the structure-activity relationships of these explored compounds in polar media. PMID:25803685

Structure-thermodynamics-antioxidant activity relationships of selected natural phenolic acids and derivatives: an experimental and theoretical evaluation.

PubMed

Chen, Yuzhen; Xiao, Huizhi; Zheng, Jie; Liang, Guizhao

2015-01-01

Phenolic acids and derivatives have potential biological functions, however, little is known about the structure-activity relationships and the underlying action mechanisms of these phenolic acids to date. Herein we investigate the structure-thermodynamics-antioxidant relationships of 20 natural phenolic acids and derivatives using DPPH• scavenging assay, density functional theory calculations at the B3LYP/6-311++G(d,p) levels of theory, and quantitative structure-activity relationship (QSAR) modeling. Three main working mechanisms (HAT, SETPT and SPLET) are explored in four micro-environments (gas-phase, benzene, water and ethanol). Computed thermodynamics parameters (BDE, IP, PDE, PA and ETE) are compared with the experimental radical scavenging activities against DPPH•. Available theoretical and experimental investigations have demonstrated that the extended delocalization and intra-molecular hydrogen bonds are the two main contributions to the stability of the radicals. The C = O or C = C in COOH, COOR, C = CCOOH and C = CCOOR groups, and orthodiphenolic functionalities are shown to favorably stabilize the specific radical species to enhance the radical scavenging activities, while the presence of the single OH in the ortho position of the COOH group disfavors the activities. HAT is the thermodynamically preferred mechanism in the gas phase and benzene, whereas SPLET in water and ethanol. Furthermore, our QSAR models robustly represent the structure-activity relationships of these explored compounds in polar media.

Survey of natural products reported by Asian research groups in 2016.

PubMed

Liu, Yan-Fei; Yu, Shi-Shan

2017-11-01

The new natural products reported in peer-reviewed articles in 2016 in journals with good reputations were reviewed and analyzed. The advances that Asian research groups made in the field of natural products chemistry in 2016 were summarized. Compounds with unique structural features and/or promising bioactivities originating from Asian natural sources were discussed based on structural classification.

DBAASP v.2: an enhanced database of structure and antimicrobial/cytotoxic activity of natural and synthetic peptides.

PubMed

Pirtskhalava, Malak; Gabrielian, Andrei; Cruz, Phillip; Griggs, Hannah L; Squires, R Burke; Hurt, Darrell E; Grigolava, Maia; Chubinidze, Mindia; Gogoladze, George; Vishnepolsky, Boris; Alekseyev, Vsevolod; Rosenthal, Alex; Tartakovsky, Michael

2016-01-04

Antimicrobial peptides (AMPs) are anti-infectives that may represent a novel and untapped class of biotherapeutics. Increasing interest in AMPs means that new peptides (natural and synthetic) are discovered faster than ever before. We describe herein a new version of the Database of Antimicrobial Activity and Structure of Peptides (DBAASPv.2, which is freely accessible at http://dbaasp.org). This iteration of the database reports chemical structures and empirically-determined activities (MICs, IC50, etc.) against more than 4200 specific target microbes for more than 2000 ribosomal, 80 non-ribosomal and 5700 synthetic peptides. Of these, the vast majority are monomeric, but nearly 200 of these peptides are found as homo- or heterodimers. More than 6100 of the peptides are linear, but about 515 are cyclic and more than 1300 have other intra-chain covalent bonds. More than half of the entries in the database were added after the resource was initially described, which reflects the recent sharp uptick of interest in AMPs. New features of DBAASPv.2 include: (i) user-friendly utilities and reporting functions, (ii) a 'Ranking Search' function to query the database by target species and return a ranked list of peptides with activity against that target and (iii) structural descriptions of the peptides derived from empirical data or calculated by molecular dynamics (MD) simulations. The three-dimensional structural data are critical components for understanding structure-activity relationships and for design of new antimicrobial drugs. We created more than 300 high-throughput MD simulations specifically for inclusion in DBAASP. The resulting structures are described in the database by novel trajectory analysis plots and movies. Another 200+ DBAASP entries have links to the Protein DataBank. All of the structures are easily visualized directly in the web browser. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Natural shorelines promote the stability of fish communities in an urbanized coastal system.

PubMed

Scyphers, Steven B; Gouhier, Tarik C; Grabowski, Jonathan H; Beck, Michael W; Mareska, John; Powers, Sean P

2015-01-01

Habitat loss and fragmentation are leading causes of species extinctions in terrestrial, aquatic and marine systems. Along coastlines, natural habitats support high biodiversity and valuable ecosystem services but are often replaced with engineered structures for coastal protection or erosion control. We coupled high-resolution shoreline condition data with an eleven-year time series of fish community structure to examine how coastal protection structures impact community stability. Our analyses revealed that the most stable fish communities were nearest natural shorelines. Structurally complex engineered shorelines appeared to promote greater stability than simpler alternatives as communities nearest vertical walls, which are among the most prevalent structures, were most dissimilar from natural shorelines and had the lowest stability. We conclude that conserving and restoring natural habitats is essential for promoting ecological stability. However, in scenarios when natural habitats are not viable, engineered landscapes designed to mimic the complexity of natural habitats may provide similar ecological functions.

Natural Shorelines Promote the Stability of Fish Communities in an Urbanized Coastal System

PubMed Central

Scyphers, Steven B.; Gouhier, Tarik C.; Grabowski, Jonathan H.; Beck, Michael W.; Mareska, John; Powers, Sean P.

2015-01-01

Habitat loss and fragmentation are leading causes of species extinctions in terrestrial, aquatic and marine systems. Along coastlines, natural habitats support high biodiversity and valuable ecosystem services but are often replaced with engineered structures for coastal protection or erosion control. We coupled high-resolution shoreline condition data with an eleven-year time series of fish community structure to examine how coastal protection structures impact community stability. Our analyses revealed that the most stable fish communities were nearest natural shorelines. Structurally complex engineered shorelines appeared to promote greater stability than simpler alternatives as communities nearest vertical walls, which are among the most prevalent structures, were most dissimilar from natural shorelines and had the lowest stability. We conclude that conserving and restoring natural habitats is essential for promoting ecological stability. However, in scenarios when natural habitats are not viable, engineered landscapes designed to mimic the complexity of natural habitats may provide similar ecological functions. PMID:26039407

Natural ageing responses of duplex structured Mg-Li based alloys

PubMed Central

Li, C. Q.; Xu, D. K.; Wang, B. J.; Sheng, L. Y.; Qiao, Y. X.; Han, E. H.

2017-01-01

Natural ageing responses of duplex structured Mg-6%Li and Mg-6%Li-6%Zn-1.2%Y alloys have been investigated. Microstructural analyses revealed that the precipitation and coarsening process of α-Mg particles could occur in β-Li phases of both two alloys during ageing process. Since a certain amount of Mg atoms in β-Li phases were consumed for the precipitation of abundant tiny MgLiZn particles, the size of α-Mg precipitates in Mg-6%Li-6%Zn-1.2%Y alloy was relatively smaller than that in Mg-6%Li alloy. Micro hardness measurements demonstrated that with the ageing time increasing, the α-Mg phases in Mg-6%Li alloy could have a constant hardness value of 41 HV, but the contained β-Li phases exhibited a slight age-softening response. Compared with the Mg-6%Li alloy, the age-softening response of β-Li phases in Mg-6%Li-6%Zn-1.2%Y alloy was much more profound. Meanwhile, a normal age-hardening response of α-Mg phases was maintained. Tensile results indicated that obvious ageing-softening phenomenon in terms of macro tensile strength occurred in both two alloys. Failure analysis demonstrated that for the Mg-6%Li alloy, cracks were preferentially initiated at α-Mg/β-Li interfaces. For the Mg-6%Li-6%Zn-1.2%Y alloy, cracks occurred at both α-Mg/β-Li interfaces and slip bands in α-Mg and β-Li phases. PMID:28053318

Spectroscopy and crystal structures of natural stereoisomers of neoclerodane diterpenoids from Teucrium yemense of Saudi medicinal plant

NASA Astrophysics Data System (ADS)

Nur-e-Alam, Mohammad; Kanthasamy, Gopikkaa; Yousaf, Muhammad; Alqahtani, Ali S.; Ghabbour, Hazem A.; Al-Rehaily, Adnan J.

2017-11-01

3-O-deacetylteugracilin (1) and teugracilin B (2), two natural stereoisomers, are isolated from Teucrium yemense (Defl). These two compounds are almost identical to each other, differing only at the C6 stereocenter. We now crystallise these two compounds and for the first time, determine the crystal structure through single crystal X-ray diffraction, and the stereochemistry for all positions using spectroscopic data. These techniques enable us to establish the difference between the two compounds. Careful interpretation of the results indicates that HRMS and 1 and 2D NMR spectroscopy, are in agreement with single crystal X-ray diffraction data.

Novel Natural Products from Extremophilic Fungi.

PubMed

Zhang, Xuan; Li, Shou-Jie; Li, Jin-Jie; Liang, Zi-Zhen; Zhao, Chang-Qi

2018-06-04

Extremophilic fungi have been found to develop unique defences to survive extremes of pressure, temperature, salinity, desiccation, and pH, leading to the biosynthesis of novel natural products with diverse biological activities. The present review focuses on new extremophilic fungal natural products published from 2005 to 2017, highlighting the chemical structures and their biological potential.

An automated Genomes-to-Natural Products platform (GNP) for the discovery of modular natural products.

PubMed

Johnston, Chad W; Skinnider, Michael A; Wyatt, Morgan A; Li, Xiang; Ranieri, Michael R M; Yang, Lian; Zechel, David L; Ma, Bin; Magarvey, Nathan A

2015-09-28

Bacterial natural products are a diverse and valuable group of small molecules, and genome sequencing indicates that the vast majority remain undiscovered. The prediction of natural product structures from biosynthetic assembly lines can facilitate their discovery, but highly automated, accurate, and integrated systems are required to mine the broad spectrum of sequenced bacterial genomes. Here we present a genome-guided natural products discovery tool to automatically predict, combinatorialize and identify polyketides and nonribosomal peptides from biosynthetic assembly lines using LC-MS/MS data of crude extracts in a high-throughput manner. We detail the directed identification and isolation of six genetically predicted polyketides and nonribosomal peptides using our Genome-to-Natural Products platform. This highly automated, user-friendly programme provides a means of realizing the potential of genetically encoded natural products.

Comparison of natural and nonnative two-species communities of Anolis lizards.

PubMed

Poe, Steven

2014-07-01

Human-mediated colonizations present an informative model system for understanding assembly of organismal communities. However, it is unclear whether communities including naturalized species are accurate analogs of natural communities or unique combinations not present in nature. I compared morphology and phylogenetic structure of natural and naturalized two-species communities of Anolis lizards. Natural communities are phylogenetically clustered, whereas naturalized communities show no significant phylogenetic structure. This result likely reflects differences in colonization pools for these communities-that is, invasion from anywhere for naturalized communities but from proximal and thus phylogenetically close lineages in natural communities. Both natural and naturalized communities each include pairs of species that are significantly similar to each other in morphology, and both sets of communities are composed of species that possess traits of good colonizers. These similarities suggest that the formation of natural and naturalized communities may be at least partially governed by similar processes. Human-mediated invasions may be credibly viewed as modern incarnations of natural colonizations in this case.

Chemical modifications of liquid natural rubber

NASA Astrophysics Data System (ADS)

Azhar, Nur Hanis Adila; Rasid, Hamizah Md; Yusoff, Siti Fairus M.

2016-11-01

Liquid natural rubber (LNR) was synthesized via photosentisized degradation of natural rubber (NR). LNR was modified into epoxidized liquid natural rubber (LENR) and hydroxylated liquid natural rubber (LNR-OH) using Na2WO4/CH3COOH/H2O2 catalytic system. Chemical structures of LNR and modified LNRs were characterized using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) and 1H Nuclear Magnetic Resonance (NMR) spectroscopies. Integration of 1H NMR was used to calculate the epoxy content (%) of LENR. 1H NMR detected the formation of LNR-OH after prolonged heating and increased of catalyst in oxidation reaction.

Deep structure of Porcupine Basin and nature of the Porcupine Median Ridge from seismic refraction tomography

NASA Astrophysics Data System (ADS)

Watremez, L.; Chen, C.; Prada, M.; Minshull, T. A.; O'Reilly, B.; Reston, T. J.; Wagner, G.; Gaw, V.; Klaeschen, D.; Shannon, P.

2015-12-01

The Porcupine Basin is a narrow V-shaped failed rifted basin located offshore SW Ireland. It is of Permo-Triassic to Cenozoic age, with the main rifting phase in the Late Jurassic to Early Cretaceous. Porcupine Basin is a key study area to learn about the processes of continental extension and to understand the thermal history of this rifted basin. Previous studies show increasing stretching factors, from less than 1.5 to the North to more than 6 to the South. A ridge feature, the Porcupine Median Ridge, has been identified in the middle of the southernmost part of the basin. During the last three decades, this ridge has been successively interpreted as a volcanic structure, a diapir of partially serpentinized mantle, or a block of continental crust. Its nature still remains debated today. In this study, we use arrival times from refractions and wide-angle reflections in the sedimentary, crustal and mantle layers to image the crustal structure of the thinnest part of the basin, the geometry of the continental thinning from margin to margin, and the Porcupine Median Ridge. The final velocity model is then compared with coincident seismic reflection data. We show that (1) the basin is asymmetric, (2) P-wave velocities in the uppermost mantle are lower than expected for unaltered peridotites, implying upper-mantle serpentinisation, (3) the nature of Porcupine Median Ridge is probably volcanic, and (4) the amount of thinning is greater than shown in previous studies. We discuss the thermal implications of these results for the evolution of this rift system and the processes leading to the formation of failed rifts. This project is funded by the Irish Shelf Petroleum Studies Group (ISPSG) of the Irish Petroleum Infrastructure Programme Group 4.

DFT Study of the Structure, Reactivity, Natural Bond Orbital and Hyperpolarizability of Thiazole Azo Dyes

PubMed Central

Osman, Osman I.

2017-01-01

The structure, reactivity, natural bond orbital (NBO), linear and nonlinear optical (NLO) properties of three thiazole azo dyes (A, B and C) were monitored by applying B3LYP, CAM-B3LYP and ωB97XD functionals with 6-311++G** and aug-cc-pvdz basis sets. The geometrical parameters, dipole moments, HOMO-LUMO (highest occupied molecular orbital, lowest unoccupied molecular orbital) energy gaps, absorption wavelengths and total hyperpolarizabilities were investigated in carbon tetrachloride (CCl4) chloroform (CHCl3), dichloromethane (CH2Cl2) and dimethlysulphoxide (DMSO). The donor methoxyphenyl group deviates from planarity with the thiazole azo moiety by ca. 38°; while the acceptor dicyanovinyl, indandione and dicyanovinylindanone groups diverge by ca. 6°. The HOMOs for the three dyes are identical. They spread over the methoxyphenyl donor moiety, the thiazole and benzene rings as π-bonding orbitals. The LUMOs are shaped up by the nature of the acceptor moieties. The LUMOs of the A, B and C dyes extend over the indandione, malononitrile and dicyanovinylindanone acceptor moieties, respectively, as π-antibonding orbitals. The HOMO-LUMO splittings showed that Dye C is much more reactive than dyes A and B. Compared to dyes A and B, Dye C yielded a longer maximum absorption wavelength because of the stabilization of its LUMOs relative to those of the other two. The three dyes show solvatochromism accompanied by significant increases in hyperpolarizability. The enhancement of the total hyperpolarizability of C compared to those of A and B is due to the cumulative action of the long π-conjugation of the indanone ring and the stronger electron-withdrawing ability of the dicyanovinyl moiety that form the dicyanovinylindanone acceptor group. These findings are facilitated by a natural bond orbital (NBO) technique. The very high total hyperpolarizabilities of the three dyes define their potent nonlinear optical (NLO) behaviour. PMID:28157151

Comets as natural laboratories: Interpretations of the structure of the inner heliosphere

NASA Astrophysics Data System (ADS)

Ramanjooloo, Yudish; Jones, Geraint H.; Coates, Andrew J.; Owens, Mathew J.

2015-11-01

Much has been learnt about the heliosphere’s structure from in situ solar wind spacecraft observations. Their coverage is however limited in time and space. Comets can be considered to be natural laboratories of the inner heliosphere, as their ion tails trace the solar wind flow. Solar wind conditions influence comets’ induced magnetotails, formed through the draping of the heliospheric magnetic field by the velocity shear in the mass-loaded solar wind.I present a novel imaging technique and software to exploit the vast catalogues of amateur and professional images of comet ion tails. My projection technique uses the comet’s orbital plane to sample its ion tail as a proxy for determining multi-latitudinal radial solar wind velocities in each comet’s vicinity. Making full use of many observing stations from astrophotography hobbyists to professional observatories and spacecraft, this approach is applied to several comets observed in recent years. This work thus assesses the validity of analysing comets’ ion tails as complementary sources of information on dynamical heliospheric phenomena and the underlying continuous solar wind.Complementary velocities, measured from folding ion rays and a velocity profile map built from consecutive images, are derived as an alternative means of quantifying the solar wind-cometary ionosphere interaction, including turbulent transient phenomena such as coronal mass ejections. I review the validity of these techniques by comparing near-Earth comets to solar wind MHD models (ENLIL) in the inner heliosphere and extrapolated measurements by ACE to the orbit of comet C/2004 Q2 (Machholz), a near-Earth comet. My radial velocities are mapped back to the solar wind source surface to identify sources of the quiescent solar wind and heliospheric current sheet crossings. Comets were found to be good indicators of solar wind structure, but the quality of results is strongly dependent on the observing geometry.

Naturally designed strong, tough and renewable biocomposites

USDA-ARS?s Scientific Manuscript database

The discovery that natural fiber filled materials have increased sound absorbency has led to their use in various automotive applications. However, the impact on structural implications of these natural fibers has not yet been investigated. Plant maturity may influence cell stiffness, which may in...

In-Depth Analysis of the Structure and Properties of Two Varieties of Natural Luffa Sponge Fibers

PubMed Central

Chen, Yuxia; Su, Na; Zhang, Kaiting; Zhu, Shiliu; Zhao, Lei; Fang, Fei; Ren, Linyan; Guo, Yong

2017-01-01

The advancement in science and technology has led to luffa sponge (LS) being widely used as a natural material in industrial application because of its polyporous structure and light texture. To enhance the utility of LS fibers as the reinforcement of lightweight composite materials, the current study investigates their water absorption, mechanical properties, anatomical characteristics and thermal performance. Hence, moisture regain and tensile properties of LS fiber bundles were measured in accordance with American Society for Testing and Materials (ASTM) standards while their structural characteristics were investigated via microscopic observation. Scanning electron microscopy (SEM) was used to observe the surface morphology and fractured surface of fiber bundles. The test results show that the special structure where the phloem tissues degenerate to cavities had a significant influence on the mechanical properties of LS fiber bundles. Additionally, the transverse sectional area occupied by fibers in a fiber bundle (SF), wall thickness, ratio of wall to lumen of fiber cell, and crystallinity of cellulose had substantial impact on the mechanical properties of LS fiber bundles. Furthermore, the density of fiber bundles of LS ranged within 385.46–468.70 kg/m3, significantly less than that of jute (1360.40 kg/m3) and Arenga engleri (950.20 kg/m3). However, LS fiber bundles demonstrated superior specific modulus than Arenga engleri. PMID:28772838

Electrospinning of PVC with natural rubber

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

Othman, Muhammad Hariz; Abdullah, Ibrahim; Mohamed, Mahathir

Polyvinyl chloride (PVC) was mixed with natural rubbers which are liquid natural rubber (LNR), liquid epoxidised natural rubber (LENR) and liquid epoxidised natural rubber acrylate (LENRA) for a preparation of a fine non-woven fiber’s mat. PVC and each natural rubbers(PVC:LENR, PVC:LNR and PVC:LENRA) were mixed based on ratio of 70:30. Electrospinning method was used to prepare the fiber. The results show that the spinnable concentration of PVC/ natural rubber/THF solution is 16 wt%. The morphology, diameter, structure and degradation temperature of electrospun fibers were investigated by scanning electron microscopy (SEM) and thermogravimetric analysis (TGA). SEM photos showed that the morphologymore » and diameter of the fibers were mainly affected by the addition of natural rubber. TGA results suggested that PVC electrospun fiber has higher degradation temperature than those electrospun fibers that contain natural rubber.« less

The Effectiveness, Costs and Coastal Protection Benefits of Natural and Nature-Based Defences.

PubMed

Narayan, Siddharth; Beck, Michael W; Reguero, Borja G; Losada, Iñigo J; van Wesenbeeck, Bregje; Pontee, Nigel; Sanchirico, James N; Ingram, Jane Carter; Lange, Glenn-Marie; Burks-Copes, Kelly A

2016-01-01

There is great interest in the restoration and conservation of coastal habitats for protection from flooding and erosion. This is evidenced by the growing number of analyses and reviews of the effectiveness of habitats as natural defences and increasing funding world-wide for nature-based defences-i.e. restoration projects aimed at coastal protection; yet, there is no synthetic information on what kinds of projects are effective and cost effective for this purpose. This paper addresses two issues critical for designing restoration projects for coastal protection: (i) a synthesis of the costs and benefits of projects designed for coastal protection (nature-based defences) and (ii) analyses of the effectiveness of coastal habitats (natural defences) in reducing wave heights and the biophysical parameters that influence this effectiveness. We (i) analyse data from sixty-nine field measurements in coastal habitats globally and examine measures of effectiveness of mangroves, salt-marshes, coral reefs and seagrass/kelp beds for wave height reduction; (ii) synthesise the costs and coastal protection benefits of fifty-two nature-based defence projects and; (iii) estimate the benefits of each restoration project by combining information on restoration costs with data from nearby field measurements. The analyses of field measurements show that coastal habitats have significant potential for reducing wave heights that varies by habitat and site. In general, coral reefs and salt-marshes have the highest overall potential. Habitat effectiveness is influenced by: a) the ratios of wave height-to-water depth and habitat width-to-wavelength in coral reefs; and b) the ratio of vegetation height-to-water depth in salt-marshes. The comparison of costs of nature-based defence projects and engineering structures show that salt-marshes and mangroves can be two to five times cheaper than a submerged breakwater for wave heights up to half a metre and, within their limits, become more cost

The Effectiveness, Costs and Coastal Protection Benefits of Natural and Nature-Based Defences

PubMed Central

Narayan, Siddharth; Beck, Michael W.; Reguero, Borja G.; Losada, Iñigo J.; van Wesenbeeck, Bregje; Pontee, Nigel; Sanchirico, James N.; Ingram, Jane Carter; Lange, Glenn-Marie; Burks-Copes, Kelly A.

2016-01-01

There is great interest in the restoration and conservation of coastal habitats for protection from flooding and erosion. This is evidenced by the growing number of analyses and reviews of the effectiveness of habitats as natural defences and increasing funding world-wide for nature-based defences–i.e. restoration projects aimed at coastal protection; yet, there is no synthetic information on what kinds of projects are effective and cost effective for this purpose. This paper addresses two issues critical for designing restoration projects for coastal protection: (i) a synthesis of the costs and benefits of projects designed for coastal protection (nature-based defences) and (ii) analyses of the effectiveness of coastal habitats (natural defences) in reducing wave heights and the biophysical parameters that influence this effectiveness. We (i) analyse data from sixty-nine field measurements in coastal habitats globally and examine measures of effectiveness of mangroves, salt-marshes, coral reefs and seagrass/kelp beds for wave height reduction; (ii) synthesise the costs and coastal protection benefits of fifty-two nature-based defence projects and; (iii) estimate the benefits of each restoration project by combining information on restoration costs with data from nearby field measurements. The analyses of field measurements show that coastal habitats have significant potential for reducing wave heights that varies by habitat and site. In general, coral reefs and salt-marshes have the highest overall potential. Habitat effectiveness is influenced by: a) the ratios of wave height-to-water depth and habitat width-to-wavelength in coral reefs; and b) the ratio of vegetation height-to-water depth in salt-marshes. The comparison of costs of nature-based defence projects and engineering structures show that salt-marshes and mangroves can be two to five times cheaper than a submerged breakwater for wave heights up to half a metre and, within their limits, become more

Structural characterization of B and non-B subtypes of HIV-protease: insights into the natural susceptibility to drug resistance development.

PubMed

Sanches, Mario; Krauchenco, Sandra; Martins, Nadia H; Gustchina, Alla; Wlodawer, Alexander; Polikarpov, Igor

2007-06-15

Although a majority of HIV-1 infections in Brazil are caused by the subtype B virus (also prevalent in the United States and Western Europe), viral subtypes F and C are also found very frequently. Genomic differences between the subtypes give rise to sequence variations in the encoded proteins, including the HIV-1 protease. The current anti-HIV drugs have been developed primarily against subtype B and the effects arising from the combination of drug-resistance mutations with the naturally existing polymorphisms in non-B HIV-1 subtypes are only beginning to be elucidated. To gain more insights into the structure and function of different variants of HIV proteases, we have determined a 2.1 A structure of the native subtype F HIV-1 protease (PR) in complex with the protease inhibitor TL-3. We have also solved crystal structures of two multi-drug resistant mutant HIV PRs in complex with TL-3, from subtype B (Bmut) carrying the primary mutations V82A and L90M, and from subtype F (Fmut) carrying the primary mutation V82A plus the secondary mutation M36I, at 1.75 A and 2.8 A resolution, respectively. The proteases Bmut, Fwt and Fmut exhibit sevenfold, threefold, and 54-fold resistance to TL-3, respectively. In addition, the structure of subtype B wild type HIV-PR in complex with TL-3 has been redetermined in space group P6(1), consistent with the other three structures. Our results show that the primary mutation V82A causes the known effect of collapsing the S1/S1' pockets that ultimately lead to the reduced inhibitory effect of TL-3. Our results further indicate that two naturally occurring polymorphic substitutions in subtype F and other non-B HIV proteases, M36I and L89M, may lead to early development of drug resistance in patients infected with non-B HIV subtypes.

Structural characterization and mechanical performance of calcium phosphate scaffolds and natural bones: a comparative study.

PubMed

Fuentes, Elena; Sáenz de Viteri, Virginia; Igartua, Amaya; Martinetti, Roberta; Dolcini, Laura; Barandika, Gotzone

2010-01-01

The knowledge of the mechanical response of bones and their substitutes is pertinent to numerous medical problems. Understanding the effects of mechanical influence on the body is the first step toward developing innovative treatment and rehabilitation concepts for orthopedic disorders. This was a comparative study of 5 synthetic scaffolds based on porous calcium phosphates and natural bones, with regard to their microstructural, chemical, and mechanical characterizations. The structural and chemical characterizations of the scaffolds were examined by means of X-ray diffraction, scanning electron microscopy, and X-ray spectroscopy analysis. The mechanical characterization of bones and bone graft biomaterials was carried out through compression tests using samples with noncomplex geometry. Analysis of the chemical composition, surface features, porosity, and compressive strength indicates that hydroxyapatite-based materials and trabecular bone have similar properties.

Retrospective analysis of natural products provides insights for future discovery trends.

PubMed

Pye, Cameron R; Bertin, Matthew J; Lokey, R Scott; Gerwick, William H; Linington, Roger G

2017-05-30

Understanding of the capacity of the natural world to produce secondary metabolites is important to a broad range of fields, including drug discovery, ecology, biosynthesis, and chemical biology, among others. Both the absolute number and the rate of discovery of natural products have increased significantly in recent years. However, there is a perception and concern that the fundamental novelty of these discoveries is decreasing relative to previously known natural products. This study presents a quantitative examination of the field from the perspective of both number of compounds and compound novelty using a dataset of all published microbial and marine-derived natural products. This analysis aimed to explore a number of key questions, such as how the rate of discovery of new natural products has changed over the past decades, how the average natural product structural novelty has changed as a function of time, whether exploring novel taxonomic space affords an advantage in terms of novel compound discovery, and whether it is possible to estimate how close we are to having described all of the chemical space covered by natural products. Our analyses demonstrate that most natural products being published today bear structural similarity to previously published compounds, and that the range of scaffolds readily accessible from nature is limited. However, the analysis also shows that the field continues to discover appreciable numbers of natural products with no structural precedent. Together, these results suggest that the development of innovative discovery methods will continue to yield compounds with unique structural and biological properties.

Retrospective analysis of natural products provides insights for future discovery trends

PubMed Central

Pye, Cameron R.; Bertin, Matthew J.; Lokey, R. Scott; Gerwick, William H.

2017-01-01

Understanding of the capacity of the natural world to produce secondary metabolites is important to a broad range of fields, including drug discovery, ecology, biosynthesis, and chemical biology, among others. Both the absolute number and the rate of discovery of natural products have increased significantly in recent years. However, there is a perception and concern that the fundamental novelty of these discoveries is decreasing relative to previously known natural products. This study presents a quantitative examination of the field from the perspective of both number of compounds and compound novelty using a dataset of all published microbial and marine-derived natural products. This analysis aimed to explore a number of key questions, such as how the rate of discovery of new natural products has changed over the past decades, how the average natural product structural novelty has changed as a function of time, whether exploring novel taxonomic space affords an advantage in terms of novel compound discovery, and whether it is possible to estimate how close we are to having described all of the chemical space covered by natural products. Our analyses demonstrate that most natural products being published today bear structural similarity to previously published compounds, and that the range of scaffolds readily accessible from nature is limited. However, the analysis also shows that the field continues to discover appreciable numbers of natural products with no structural precedent. Together, these results suggest that the development of innovative discovery methods will continue to yield compounds with unique structural and biological properties. PMID:28461474

Natural selection promotes antigenic evolvability.

PubMed

Graves, Christopher J; Ros, Vera I D; Stevenson, Brian; Sniegowski, Paul D; Brisson, Dustin

2013-01-01

The hypothesis that evolvability - the capacity to evolve by natural selection - is itself the object of natural selection is highly intriguing but remains controversial due in large part to a paucity of direct experimental evidence. The antigenic variation mechanisms of microbial pathogens provide an experimentally tractable system to test whether natural selection has favored mechanisms that increase evolvability. Many antigenic variation systems consist of paralogous unexpressed 'cassettes' that recombine into an expression site to rapidly alter the expressed protein. Importantly, the magnitude of antigenic change is a function of the genetic diversity among the unexpressed cassettes. Thus, evidence that selection favors among-cassette diversity is direct evidence that natural selection promotes antigenic evolvability. We used the Lyme disease bacterium, Borrelia burgdorferi, as a model to test the prediction that natural selection favors amino acid diversity among unexpressed vls cassettes and thereby promotes evolvability in a primary surface antigen, VlsE. The hypothesis that diversity among vls cassettes is favored by natural selection was supported in each B. burgdorferi strain analyzed using both classical (dN/dS ratios) and Bayesian population genetic analyses of genetic sequence data. This hypothesis was also supported by the conservation of highly mutable tandem-repeat structures across B. burgdorferi strains despite a near complete absence of sequence conservation. Diversification among vls cassettes due to natural selection and mutable repeat structures promotes long-term antigenic evolvability of VlsE. These findings provide a direct demonstration that molecular mechanisms that enhance evolvability of surface antigens are an evolutionary adaptation. The molecular evolutionary processes identified here can serve as a model for the evolution of antigenic evolvability in many pathogens which utilize similar strategies to establish chronic infections.

Natural Selection Promotes Antigenic Evolvability

PubMed Central

Graves, Christopher J.; Ros, Vera I. D.; Stevenson, Brian; Sniegowski, Paul D.; Brisson, Dustin

2013-01-01

The hypothesis that evolvability - the capacity to evolve by natural selection - is itself the object of natural selection is highly intriguing but remains controversial due in large part to a paucity of direct experimental evidence. The antigenic variation mechanisms of microbial pathogens provide an experimentally tractable system to test whether natural selection has favored mechanisms that increase evolvability. Many antigenic variation systems consist of paralogous unexpressed ‘cassettes’ that recombine into an expression site to rapidly alter the expressed protein. Importantly, the magnitude of antigenic change is a function of the genetic diversity among the unexpressed cassettes. Thus, evidence that selection favors among-cassette diversity is direct evidence that natural selection promotes antigenic evolvability. We used the Lyme disease bacterium, Borrelia burgdorferi, as a model to test the prediction that natural selection favors amino acid diversity among unexpressed vls cassettes and thereby promotes evolvability in a primary surface antigen, VlsE. The hypothesis that diversity among vls cassettes is favored by natural selection was supported in each B. burgdorferi strain analyzed using both classical (dN/dS ratios) and Bayesian population genetic analyses of genetic sequence data. This hypothesis was also supported by the conservation of highly mutable tandem-repeat structures across B. burgdorferi strains despite a near complete absence of sequence conservation. Diversification among vls cassettes due to natural selection and mutable repeat structures promotes long-term antigenic evolvability of VlsE. These findings provide a direct demonstration that molecular mechanisms that enhance evolvability of surface antigens are an evolutionary adaptation. The molecular evolutionary processes identified here can serve as a model for the evolution of antigenic evolvability in many pathogens which utilize similar strategies to establish chronic infections

Natural gas hydrates; vast resource, uncertain future

USGS Publications Warehouse

Collett, T.S.

2001-01-01

Gas hydrates are naturally occurring icelike solids in which water molecules trap gas molecules in a cagelike structure known as a clathrate. Although many gases form hydrates in nature, methane hydrate is by far the most common; methane is the most abundant natural gas. The volume of carbon contained in methane hydrates worldwide is estimated to be twice the amount contained in all fossil fuels on Earth, including coal.

DBAASP v.2: an enhanced database of structure and antimicrobial/cytotoxic activity of natural and synthetic peptides

PubMed Central

Pirtskhalava, Malak; Gabrielian, Andrei; Cruz, Phillip; Griggs, Hannah L.; Squires, R. Burke; Hurt, Darrell E.; Grigolava, Maia; Chubinidze, Mindia; Gogoladze, George; Vishnepolsky, Boris; Alekseev, Vsevolod; Rosenthal, Alex; Tartakovsky, Michael

2016-01-01

Antimicrobial peptides (AMPs) are anti-infectives that may represent a novel and untapped class of biotherapeutics. Increasing interest in AMPs means that new peptides (natural and synthetic) are discovered faster than ever before. We describe herein a new version of the Database of Antimicrobial Activity and Structure of Peptides (DBAASPv.2, which is freely accessible at http://dbaasp.org). This iteration of the database reports chemical structures and empirically-determined activities (MICs, IC50, etc.) against more than 4200 specific target microbes for more than 2000 ribosomal, 80 non-ribosomal and 5700 synthetic peptides. Of these, the vast majority are monomeric, but nearly 200 of these peptides are found as homo- or heterodimers. More than 6100 of the peptides are linear, but about 515 are cyclic and more than 1300 have other intra-chain covalent bonds. More than half of the entries in the database were added after the resource was initially described, which reflects the recent sharp uptick of interest in AMPs. New features of DBAASPv.2 include: (i) user-friendly utilities and reporting functions, (ii) a ‘Ranking Search’ function to query the database by target species and return a ranked list of peptides with activity against that target and (iii) structural descriptions of the peptides derived from empirical data or calculated by molecular dynamics (MD) simulations. The three-dimensional structural data are critical components for understanding structure–activity relationships and for design of new antimicrobial drugs. We created more than 300 high-throughput MD simulations specifically for inclusion in DBAASP. The resulting structures are described in the database by novel trajectory analysis plots and movies. Another 200+ DBAASP entries have links to the Protein DataBank. All of the structures are easily visualized directly in the web browser. PMID:26578581

Signal frequency distribution and natural-time analyses from acoustic emission monitoring of an arched structure in the Castle of Racconigi

NASA Astrophysics Data System (ADS)

Niccolini, Gianni; Manuello, Amedeo; Marchis, Elena; Carpinteri, Alberto

2017-07-01

The stability of an arch as a structural element in the thermal bath of King Charles Albert (Carlo Alberto) in the Royal Castle of Racconigi (on the UNESCO World Heritage List since 1997) was assessed by the acoustic emission (AE) monitoring technique with application of classical inversion methods to recorded AE data. First, damage source location by means of triangulation techniques and signal frequency analysis were carried out. Then, the recently introduced method of natural-time analysis was preliminarily applied to the AE time series in order to reveal a possible entrance point to a critical state of the monitored structural element. Finally, possible influence of the local seismic and microseismic activity on the stability of the monitored structure was investigated. The criterion for selecting relevant earthquakes was based on the estimation of the size of earthquake preparation zones. The presented results suggest the use of the AE technique as a tool for detecting both ongoing structural damage processes and microseismic activity during preparation stages of seismic events.

Natural language acquisition in large scale neural semantic networks

NASA Astrophysics Data System (ADS)

Ealey, Douglas

This thesis puts forward the view that a purely signal- based approach to natural language processing is both plausible and desirable. By questioning the veracity of symbolic representations of meaning, it argues for a unified, non-symbolic model of knowledge representation that is both biologically plausible and, potentially, highly efficient. Processes to generate a grounded, neural form of this model-dubbed the semantic filter-are discussed. The combined effects of local neural organisation, coincident with perceptual maturation, are used to hypothesise its nature. This theoretical model is then validated in light of a number of fundamental neurological constraints and milestones. The mechanisms of semantic and episodic development that the model predicts are then used to explain linguistic properties, such as propositions and verbs, syntax and scripting. To mimic the growth of locally densely connected structures upon an unbounded neural substrate, a system is developed that can grow arbitrarily large, data- dependant structures composed of individual self- organising neural networks. The maturational nature of the data used results in a structure in which the perception of concepts is refined by the networks, but demarcated by subsequent structure. As a consequence, the overall structure shows significant memory and computational benefits, as predicted by the cognitive and neural models. Furthermore, the localised nature of the neural architecture also avoids the increasing error sensitivity and redundancy of traditional systems as the training domain grows. The semantic and episodic filters have been demonstrated to perform as well, or better, than more specialist networks, whilst using significantly larger vocabularies, more complex sentence forms and more natural corpora.

Wettability of natural superhydrophobic surfaces.

PubMed

Webb, Hayden K; Crawford, Russell J; Ivanova, Elena P

2014-08-01

Since the description of the 'Lotus Effect' by Barthlott and Neinhuis in 1997, the existence of superhydrophobic surfaces in the natural world has become common knowledge. Superhydrophobicity is associated with a number of possible evolutionary benefits that may be bestowed upon an organism, ranging from the ease of dewetting of their surfaces and therefore prevention of encumbrance by water droplets, self-cleaning and removal of particulates and potential pathogens, and even to antimicrobial activity. The superhydrophobic properties of natural surfaces have been attributed to the presence of hierarchical microscale (>1 μm) and nanoscale (typically below 200 nm) structures on the surface, and as a result, the generation of topographical hierarchy is usually considered of high importance in the fabrication of synthetic superhydrophobic surfaces. When one surveys the breadth of data available on naturally existing superhydrophobic surfaces, however, it can be observed that topographical hierarchy is not present on all naturally superhydrophobic surfaces; in fact, the only universal feature of these surfaces is the presence of a sophisticated nanoscale structure. Additionally, several natural surfaces, e.g. those present on rose petals and gecko feet, display high water contact angles and high adhesion of droplets, due to the pinning effect. These surfaces are not truly superhydrophobic, and lack significant degrees of nanoscale roughness. Here, we discuss the phenomena of superhydrophobicity and pseudo-superhydrophobicity in nature, and present an argument that while hierarchical surface roughness may aid in the stability of the superhydrophobic effect, it is nanoscale surface architecture alone that is the true determinant of superhydrophobicity. Copyright © 2014 Elsevier B.V. All rights reserved.

Focused library with a core structure extracted from natural products and modified: application to phosphatase inhibitors and several biochemical findings.

PubMed

Hirai, Go; Sodeoka, Mikiko

2015-05-19

Synthesis of a focused library is an important strategy to create novel modulators of specific classes of proteins. Compounds in a focused library are composed of a common core structure and different diversity structures. In this Account, we describe our design and synthesis of libraries focused on selective inhibitors of protein phosphatases (PPases). We considered that core structures having structural and electronic features similar to those of PPase substrates, phosphate esters, would be a reasonable choice. Therefore, we extracted core structures from natural products already identified as PPase inhibitors. Since many PPases share similar active-site structures, such phosphate-mimicking core structures should interact with many enzymes in the same family, and therefore the choice of diversity structures is pivotal both to increase the binding affinity and to achieve specificity for individual enzymes. Here we present case studies of application of focused libraries to obtain PPase inhibitors, covering the overall process from selection of core structures to identification and evaluation of candidates in the focused libraries. To synthesize a library focused on protein serine-threonine phosphatases (PPs), we chose norcantharidin as a core structure, because norcantharidin dicarboxylate shows a broad inhibition profile toward several PPs. From the resulting focused library, we identified a highly selective PP2B inhibitor, NCA-01. On the other hand, to find inhibitors of dual-specificity protein phosphatases (DSPs), we chose 3-acyltetronic acid extracted from natural product RK-682 as a core structure, because its structure resembles the transition state in the dephosphorylation reaction of DSPs. However, a highly selective inhibitor was not found in the resulting focused library. Furthermore, an inherent drawback of compounds having the highly acidic 3-acyltetronic acid as a core structure is very weak potency in cellulo, probably due to poor cell membrane

Intraspecies genomic diversity and natural population structure of the meat-borne lactic acid bacterium Lactobacillus sakei.

PubMed

Chaillou, Stéphane; Daty, Marie; Baraige, Fabienne; Dudez, Anne-Marie; Anglade, Patricia; Jones, Rhys; Alpert, Carl-Alfred; Champomier-Vergès, Marie-Christine; Zagorec, Monique

2009-02-01

Lactobacillus sakei is a food-borne bacterium naturally found in meat and fish products. A study was performed to examine the intraspecies diversity among 73 isolates sourced from laboratory collections in several different countries. Pulsed-field gel electrophoresis analysis demonstrated a 25% variation in genome size between isolates, ranging from 1,815 kb to 2,310 kb. The relatedness between isolates was then determined using a PCR-based method that detects the possession of 60 chromosomal genes belonging to the flexible gene pool. Ten different strain clusters were identified that had noticeable differences in their average genome size reflecting the natural population structure. The results show that many different genotypes may be isolated from similar types of meat products, suggesting a complex ecological habitat in which intraspecies diversity may be required for successful adaptation. Finally, proteomic analysis revealed a slight difference between the migration patterns of highly abundant GapA isoforms of the two prevailing L. sakei subspecies (sakei and carnosus). This analysis was used to affiliate the genotypic clusters with the corresponding subspecies. These findings reveal for the first time the extent of intraspecies genomic diversity in L. sakei. Consequently, identification of molecular subtypes may in the future prove valuable for a better understanding of microbial ecosystems in food products.

Structural characterization of rubber from jackfruit and euphorbia as a model of natural rubber.

PubMed

Mekkriengkrai, Dararat; Ute, Koiichi; Swiezewska, Ewa; Chojnacki, Tadeusz; Tanaka, Yasuyuki; Sakdapipanich, Jitladda T

2004-01-01

A structural study of low molecular weight rubbers from Jackfruit (Artocarpus heterophyllus) and Painted spurge (Euphorbia heterophylla) was carried out as model compounds of natural rubber from Hevea brasiliensis. The rubber content of latex from Jackfruit was 0.4-0.7%, which is very low compared with that of 30-35% in the latex from Hevea tree. The rubber from Jackfruit latex was low molecular weight with narrow unimodal molecular weight distribution (MWD), whereas that obtained from E. heterophylla showed very broad MWD. The 1H and 13C NMR analyses showed that Jackfruit rubber consists of a dimethylallyl group and two trans-isoprene units connected to a long sequence of cis-isoprene units. The alpha-terminal group of Jackfruit rubber was presumed to be composed of a phosphate group based on the presence of 1H NMR signal at 4.08 ppm corresponding to the terminal =CH-CH2OP group.

What Happens When a Teacher's Science Belief Structure Is in Disequilibrium? Entangled Nature of Beliefs and Practice

NASA Astrophysics Data System (ADS)

Martin, Anita; Park, Soonhye; Hand, Brian

2017-08-01

This qualitative case study examined the process of change in an experienced elementary teacher's belief structure during implementation of an inquiry-based science program. Difficulties generally associated with ascertaining beliefs were minimized by using Leatham's (Journal of Mathematics Teacher Education, 9, 91-102 (2006) Sensible System Framework, enabling researchers to obtain rich descriptions of the teacher's belief structure by focusing on words (professed beliefs), intentions (intended beliefs), and actions (enacted beliefs). Models were constructed of the teacher's belief structure before and after implementation of the Science Writing Heuristic (SWH) approach (Hand et al. International Journal of Science Education, 26(2), 131-149, 2004), an inquiry-based approach to teaching science. Key beliefs for this teacher were related to how students learn, goals for teaching science, focus of instruction, and roles of teacher and student. Ultimately, the teacher shifted her professed, intended, and enacted beliefs resulting in a shift from a teacher-centered to a student-centered classroom. Findings support Thagard's Coherence Theory of Justification (2002), positing that change in one belief creates a state of disequilibrium that must be alleviated by changing/realigning other beliefs in order to re-establish coherence in the overall belief structure. This research focus is distinct from the general trend in teacher beliefs research in important ways. Most significant is that this study was not focused on the traditional two lists—those beliefs that were consistent with practice and those that were inconsistent with practice—but instead focused on the entwined nature of beliefs and practice and have shown that a teacher's practice can be viewed as their enacted beliefs, an integral part of the teacher's overall belief structure.

Postive seedling-shrub relationships in natural regeneration of ponderosa pine

Treesearch

Christopher R. Keyes; Douglas A. Maguire

2005-01-01

An understanding of natural regeneration processes, and the stand structural features that influence those processes, is vital to attaining goals associated with natural regeneration. This paper discusses natural regeneration concepts and the interactions that occur between shrubs and natural regeneration of ponderosa pine. The interactions observed recently in a...

Natural language modeling

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

Sharp, J.K.

1997-11-01

This seminar describes a process and methodology that uses structured natural language to enable the construction of precise information requirements directly from users, experts, and managers. The main focus of this natural language approach is to create the precise information requirements and to do it in such a way that the business and technical experts are fully accountable for the results. These requirements can then be implemented using appropriate tools and technology. This requirement set is also a universal learning tool because it has all of the knowledge that is needed to understand a particular process (e.g., expense vouchers, projectmore » management, budget reviews, tax, laws, machine function).« less

Structural hierarchy of chromatin in chicken erythrocyte nuclei based on small-angle neutron scattering: Fractal nature of the large-scale chromatin organization

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

Lebedev, D. V., E-mail: isaev@omrb.pnpi.spb.ru; Filatov, M. V.; Kuklin, A. I.

The chromatin organization in chicken erythrocyte nuclei was studied by small-angle neutron scattering in the scattering-vector range from 1.5 x 10{sup -1} to 10{sup -4} A{sup -1} with the use of the contrast-variation technique. This scattering-vector range corresponds to linear dimensions from 4 nm to 6 {mu}m and covers the whole hierarchy of chromatin structures, from the nucleosomal structure to the entire nucleus. The results of the present study allowed the following conclusions to be drawn: (1) both the chromatin-protein structure and the structure of the nucleic acid component in chicken erythrocyte nuclei have mass-fractal properties, (2) the structure ofmore » the protein component of chromatin exhibits a fractal behavior on scales extending over two orders of magnitude, from the nucleosomal size to the size of an entire nucleus, and (3) the structure of the nucleic acid component of chromatin in chicken erythrocyte nuclei is likewise of a fractal nature and has two levels of organization or two phases with the crossover point at about 300-400 nm.« less

Genetic structure is determined by stochastic factors in a natural population of Drosophila buzzatii in Argentina.

PubMed

Vilardi, J C; Hasson, E; Rodriguez, C; Fanara, J J

1994-01-01

D. buzzatii is a cactophilic species associated with several cactaceae in Argentina. This particular ecological niche implies that this species is faced with a non-uniform environment constituted by discrete and ephemeral breeding sites, which are colonized by a finite number of inseminated females. The genetic consequences of this population structure upon the second chromosome polymorphism were investigated by means of F-statistics in a natural endemic population of Argentina. The present study suggests that differentiation of inversion frequencies in third instar larvae among breeding sites has taken place mainly at random and selection is not operating to determine the structure of this population. The average number of parents breeding on a single pad seems to be similar to the number colonizing Opuntia ficus indica rotting cladodes in Carboneras, a derived population from Spain. There is no significant excess of heterokaryotypes within pads or in the population as a whole. The results obtained in the present study suggest that the potential role of selective versus stochastic factors relative to the among pad heterogeneity in the population here studied is different from that of the Spanish population previously reported. Potential mechanisms responsible for these differences are discussed.

New Umami Amides: Structure-Taste Relationship Studies of Cinnamic Acid Derived Amides and the Natural Occurrence of an Intense Umami Amide in Zanthoxylum piperitum.

PubMed

Frerot, Eric; Neirynck, Nathalie; Cayeux, Isabelle; Yuan, Yoyo Hui-Juan; Yuan, Yong-Ming

2015-08-19

A series of aromatic amides were synthesized from various acids and amines selected from naturally occurring structural frameworks. These synthetic amides were evaluated for umami taste in comparison with monosodium glutamate. The effect of the substitution pattern of both the acid and the amine parts on umami taste was investigated. The only intensely umami-tasting amides were those made from 3,4-dimethoxycinnamic acid. The amine part was more tolerant to structural changes. Amides bearing an alkyl- or alkoxy-substituted phenylethylamine residue displayed a clean umami taste as 20 ppm solutions in water. Ultraperformance liquid chromatography coupled with a high quadrupole-Orbitrap mass spectrometer (UPLC/MS) was subsequently used to show the natural occurrence of these amides. (E)-3-(3,4-Dimethoxyphenyl)-N-(4-methoxyphenethyl)acrylamide was shown to occur in the roots and stems of Zanthoxylum piperitum, a plant of the family Rutaceae growing in Korea, Japan, and China.

Exploiting the Complementarity between Dereplication and Computer-Assisted Structure Elucidation for the Chemical Profiling of Natural Cosmetic Ingredients: Tephrosia purpurea as a Case Study.

PubMed

Hubert, Jane; Chollet, Sébastien; Purson, Sylvain; Reynaud, Romain; Harakat, Dominique; Martinez, Agathe; Nuzillard, Jean-Marc; Renault, Jean-Hugues

2015-07-24

The aqueous-ethanolic extract of Tephrosia purpurea seeds is currently exploited in the cosmetic industry as a natural ingredient of skin lotions. The aim of this study was to chemically characterize this ingredient by combining centrifugal partition extraction (CPE) as a fractionation tool with two complementary identification approaches involving dereplication and computer-assisted structure elucidation. Following two rapid fractionations of the crude extract (2 g), seven major compounds namely, caffeic acid, quercetin-3-O-rutinoside, ethyl galactoside, ciceritol, stachyose, saccharose, and citric acid, were unambiguously identified within the CPE-generated simplified mixtures by a recently developed (13)C NMR-based dereplication method. The structures of four additional compounds, patuletin-3-O-rutinoside, kaempferol-3-O-rutinoside, guaiacylglycerol 8-vanillic acid ether, and 2-methyl-2-glucopyranosyloxypropanoic acid, were automatically elucidated by using the Logic for Structure Determination program based on the interpretation of 2D NMR (HSQC, HMBC, and COSY) connectivity data. As more than 80% of the crude extract mass was characterized without need for tedious and labor-intensive multistep purification procedures, the identification tools involved in this work constitute a promising strategy for an efficient and time-saving chemical profiling of natural extracts.

An interactive web-tool for molecular analyses links naturally occurring mutation data with three-dimensional structures of the rhodopsin-like glycoprotein hormone receptors.

PubMed

Kleinau, Gunnar; Kreuchwig, Annika; Worth, Catherine L; Krause, Gerd

2010-06-01

The collection, description and molecular analysis of naturally occurring (pathogenic) mutations are important for understanding the functional mechanisms and malfunctions of biological units such as proteins. Numerous databases collate a huge amount of functional data or descriptions of mutations, but tools to analyse the molecular effects of genetic variations are as yet poorly provided. The goal of this work was therefore to develop a translational web-application that facilitates the interactive linkage of functional and structural data and which helps improve our understanding of the molecular basis of naturally occurring gain- or loss- of function mutations. Here we focus on the human glycoprotein hormone receptors (GPHRs), for which a huge number of mutations are known to cause diseases. We describe new options for interactive data analyses within three-dimensional structures, which enable the assignment of molecular relationships between structure and function. Strikingly, as the functional data are converted into relational percentage values, the system allows the comparison and classification of data from different GPHR subtypes and different experimental approaches. Our new application has been incorporated into a freely available database and website for the GPHRs (http://www.ssfa-gphr.de), but the principle development would also be applicable to other macromolecules.

Discovery of the leinamycin family of natural products by mining actinobacterial genomes.

PubMed

Pan, Guohui; Xu, Zhengren; Guo, Zhikai; Hindra; Ma, Ming; Yang, Dong; Zhou, Hao; Gansemans, Yannick; Zhu, Xiangcheng; Huang, Yong; Zhao, Li-Xing; Jiang, Yi; Cheng, Jinhua; Van Nieuwerburgh, Filip; Suh, Joo-Won; Duan, Yanwen; Shen, Ben

2017-12-26

Nature's ability to generate diverse natural products from simple building blocks has inspired combinatorial biosynthesis. The knowledge-based approach to combinatorial biosynthesis has allowed the production of designer analogs by rational metabolic pathway engineering. While successful, structural alterations are limited, with designer analogs often produced in compromised titers. The discovery-based approach to combinatorial biosynthesis complements the knowledge-based approach by exploring the vast combinatorial biosynthesis repertoire found in Nature. Here we showcase the discovery-based approach to combinatorial biosynthesis by targeting the domain of unknown function and cysteine lyase domain (DUF-SH) didomain, specific for sulfur incorporation from the leinamycin (LNM) biosynthetic machinery, to discover the LNM family of natural products. By mining bacterial genomes from public databases and the actinomycetes strain collection at The Scripps Research Institute, we discovered 49 potential producers that could be grouped into 18 distinct clades based on phylogenetic analysis of the DUF-SH didomains. Further analysis of the representative genomes from each of the clades identified 28 lnm -type gene clusters. Structural diversities encoded by the LNM-type biosynthetic machineries were predicted based on bioinformatics and confirmed by in vitro characterization of selected adenylation proteins and isolation and structural elucidation of the guangnanmycins and weishanmycins. These findings demonstrate the power of the discovery-based approach to combinatorial biosynthesis for natural product discovery and structural diversity and highlight Nature's rich biosynthetic repertoire. Comparative analysis of the LNM-type biosynthetic machineries provides outstanding opportunities to dissect Nature's biosynthetic strategies and apply these findings to combinatorial biosynthesis for natural product discovery and structural diversity.

3D Inversion of Natural Source Electromagnetics

NASA Astrophysics Data System (ADS)

Holtham, E. M.; Oldenburg, D. W.

2010-12-01

The superior depth of investigation of natural source electromagnetic techniques makes these methods excellent candidates for crustal studies as well as for mining and hydrocarbon exploration. The traditional natural source method, the magnetotelluric (MT) technique, has practical limitations because the surveys are costly and time consuming due to the labor intensive nature of ground based surveys. In an effort to continue to use the penetration advantage of natural sources, it has long been recognized that tipper data, the ratio of the local vertical magnetic field to the horizontal magnetic field, provide information about 3D electrical conductivity structure. It was this understanding that prompted the development of AFMAG (Audio Frequency Magnetics) and recently the new airborne Z-Axis Tipper Electromagnetic Technique (ZTEM). In ZTEM, the vertical component of the magnetic field is recorded above the entire survey area, while the horizontal fields are recorded at a ground-based reference station. MT processing techniques yield frequency domain transfer functions typically between 30-720 Hz that relate the vertical fields over the survey area to the horizontal fields at the reference station. The result is a cost effective procedure for collecting natural source EM data and for finding large scale targets at moderate depths. It is well known however that 1D layered structures produce zero vertical magnetic fields and thus ZTEM data cannot recover such background conductivities. This is in sharp contrast to the MT technique where electric fields are measured and a 1D background conductivity can be recovered from the off diagonal elements of the impedance tensor. While 1D models produce no vertical fields, two and three dimensional structures will produce anomalous currents and a ZTEM response. For such models the background conductivity structure does affect the data. In general however, the ZTEM data have weak sensitivity to the background conductivity and

Developing authentic problems through lived experiences in nature

NASA Astrophysics Data System (ADS)

Gürel, Zeynep

2017-02-01

This study's main objective is to develop a theoretical and ontological basis for experimentation in contact with the real life, oriented to physics education. Physics is built upon the observation of nature, where our experience provides opportunity to deal with science in natural environment to those learners who have background in the very basics and essentials of physics. Physics in Nature course includes visiting and camping experiences situated in nature and organizing camp with educational purposes. The course has been integrated with indoor and outdoor settings interactively and the authentic problems, which have been taken from outdoor settings, have been brought into the class without well-defined structure (Ill-structured problems). Within the period of ten years, there were plethora of events and problems that would provide sufficient material for many researchers. Because every problem is an event and has a story. The philosophical event concept of Deleuze and Guattari has been used in the events of Physics in Nature courses. Post-qualitative research methodology has been used in order to put forward how to construct the relation between physics and nature and become the main problem in the physics in nature, thereby it has been the basis of the course and our academic research

Genetic structure of tree and shrubby species among anthropogenic edges, natural edges, and interior of an atlantic forest fragment.

PubMed

Ramos, Flavio Nunes; de Lima, Paula Feliciano; Zucchi, Maria Imaculada; Colombo, Carlos Augusto; Solferini, Vera Nisaka

2010-04-01

Two species, Psychotria tenuinervis (shrub, Rubiaceae) and Guarea guidonia (tree, Meliaceae), were used as models to compare the genetic structure of tree and shrubby species among natural edges, anthropogenic edges, and a fragment interior. There were significant differences between two genetic markers. For isozymes, P. tenuinervis presented greater heterozygosity (expected and observed) and a higher percentage of polymorphic loci and median number of alleles than G. guidonia. For microsatellites, there was no difference in genetic variability between the species. Only P. tenuinervis, for isozymes, showed differences in genetic variability among the three habitats. There was no genetic structure (F (ST) < 0.05) among habitats in both plant species for both genetic markers. Isozymes showed great endogamy for both plant species, but not microsatellites. The forest fragmentation may have negative effects on both spatial (among edges and interior) and temporal genetic variability.

The journey of recovery and empowerment embraced by nature - clients' perspectives on nature-based rehabilitation in relation to the role of the natural environment.

PubMed

Pálsdóttir, Anna María; Persson, Dennis; Persson, Birgitta; Grahn, Patrik

2014-07-14

This paper presents findings from real life situations, a longitudinal single case study on the role of natural environments in nature-based rehabilitation (NBR) for individuals with stress-related mental disorders, at the Alnarp Rehabilitation Garden in Sweden. A sample of 43 former clients voluntarily participated in semi-structured interview, and the data were analyzed according to interpretative phenomenological analysis (IPA). Three main superordinate themes were identified as the three phases of NBR-Prelude, Recuperating and Empowerment-explaining and illuminating the role of the natural environments in each phase. An explanatory model of NBR in this context is presented including the three phases of NBR, IRP supportive occupations and a pyramid of supporting environments. A new component of supportive environments was identified and herby named, Social quietness, an important component facilitating personal and intimate engagement with the natural environments.

Natural-product-derived fragments for fragment-based ligand discovery

NASA Astrophysics Data System (ADS)

Over, Björn; Wetzel, Stefan; Grütter, Christian; Nakai, Yasushi; Renner, Steffen; Rauh, Daniel; Waldmann, Herbert

2013-01-01

Fragment-based ligand and drug discovery predominantly employs sp2-rich compounds covering well-explored regions of chemical space. Despite the ease with which such fragments can be coupled, this focus on flat compounds is widely cited as contributing to the attrition rate of the drug discovery process. In contrast, biologically validated natural products are rich in stereogenic centres and populate areas of chemical space not occupied by average synthetic molecules. Here, we have analysed more than 180,000 natural product structures to arrive at 2,000 clusters of natural-product-derived fragments with high structural diversity, which resemble natural scaffolds and are rich in sp3-configured centres. The structures of the cluster centres differ from previously explored fragment libraries, but for nearly half of the clusters representative members are commercially available. We validate their usefulness for the discovery of novel ligand and inhibitor types by means of protein X-ray crystallography and the identification of novel stabilizers of inactive conformations of p38α MAP kinase and of inhibitors of several phosphatases.

Thinking of Wildfire as a Natural Hazard

Treesearch

Sarah McCaffrey

2004-01-01

Natural hazards theory with its emphasis on understanding the human-hazard interaction has much to offer in better understanding how individuals respond to the wildfire hazard. Ironically, very few natural hazards studies have actually looked at wildfires, despite the insights the field might offer. This report is structured around four interrelated questions that are...

Bioengineering natural product biosynthetic pathways for therapeutic applications.

PubMed

Wu, Ming-Cheng; Law, Brian; Wilkinson, Barrie; Micklefield, Jason

2012-12-01

With the advent of next-generation DNA sequencing technologies, the number of microbial genome sequences has increased dramatically, revealing a vast array of new biosynthetic gene clusters. Genomics data provide a tremendous opportunity to discover new natural products, and also to guide the bioengineering of new and existing natural product scaffolds for therapeutic applications. Notably, it is apparent that the vast majority of biosynthetic gene clusters are either silent or produce very low quantities of the corresponding natural products. It is imperative therefore to devise methods for activating unproductive biosynthetic pathways to provide the quantities of natural products needed for further development. Moreover, on the basis of our expanding mechanistic and structural knowledge of biosynthetic assembly-line enzymes, new strategies for re-programming biosynthetic pathways have emerged, resulting in focused libraries of modified products with potentially improved biological properties. In this review we will focus on the latest bioengineering approaches that have been utilised to optimise yields and increase the structural diversity of natural product scaffolds for future clinical applications. Copyright © 2012 Elsevier Ltd. All rights reserved.

Natural frequency and vibration analysis of jacket type foundation for offshore wind power

NASA Astrophysics Data System (ADS)

Hung, Y.-C.; Chang, Y.-Y.; Chen, S.-Y.

2017-12-01

There are various types of foundation structure for offshore wind power, engineers may assess the condition of ocean at wind farm, and arrange the transportation, installation of each structure members, furthermore, considering the ability of manufacture steel structure as well, then make an optimum design. To design jacket offshore structure, unlike onshore cases, offshore structure also need to estimate the wave excitation effect. The aim of this paper is to study the difference of natural frequency between different kinds of structural stiffness and discuss the effect of different setting of boundary condition during analysis, besides, compare this value with the natural frequency of sea wave, in order to avoid the resonance effect. In this paper, the finite element analysis software ABAQUS is used to model and analyze the natural vibration behavior of the jacket structure.

Electromagnetic pulsed thermography for natural cracks inspection

NASA Astrophysics Data System (ADS)

Gao, Yunlai; Tian, Gui Yun; Wang, Ping; Wang, Haitao; Gao, Bin; Woo, Wai Lok; Li, Kongjing

2017-02-01

Emerging integrated sensing and monitoring of material degradation and cracks are increasingly required for characterizing the structural integrity and safety of infrastructure. However, most conventional nondestructive evaluation (NDE) methods are based on single modality sensing which is not adequate to evaluate structural integrity and natural cracks. This paper proposed electromagnetic pulsed thermography for fast and comprehensive defect characterization. It hybrids multiple physical phenomena i.e. magnetic flux leakage, induced eddy current and induction heating linking to physics as well as signal processing algorithms to provide abundant information of material properties and defects. New features are proposed using 1st derivation that reflects multiphysics spatial and temporal behaviors to enhance the detection of cracks with different orientations. Promising results that robust to lift-off changes and invariant features for artificial and natural cracks detection have been demonstrated that the proposed method significantly improves defect detectability. It opens up multiphysics sensing and integrated NDE with potential impact for natural understanding and better quantitative evaluation of natural cracks including stress corrosion crack (SCC) and rolling contact fatigue (RCF).

Electromagnetic pulsed thermography for natural cracks inspection

PubMed Central

Gao, Yunlai; Tian, Gui Yun; Wang, Ping; Wang, Haitao; Gao, Bin; Woo, Wai Lok; Li, Kongjing

2017-01-01

Emerging integrated sensing and monitoring of material degradation and cracks are increasingly required for characterizing the structural integrity and safety of infrastructure. However, most conventional nondestructive evaluation (NDE) methods are based on single modality sensing which is not adequate to evaluate structural integrity and natural cracks. This paper proposed electromagnetic pulsed thermography for fast and comprehensive defect characterization. It hybrids multiple physical phenomena i.e. magnetic flux leakage, induced eddy current and induction heating linking to physics as well as signal processing algorithms to provide abundant information of material properties and defects. New features are proposed using 1st derivation that reflects multiphysics spatial and temporal behaviors to enhance the detection of cracks with different orientations. Promising results that robust to lift-off changes and invariant features for artificial and natural cracks detection have been demonstrated that the proposed method significantly improves defect detectability. It opens up multiphysics sensing and integrated NDE with potential impact for natural understanding and better quantitative evaluation of natural cracks including stress corrosion crack (SCC) and rolling contact fatigue (RCF). PMID:28169361

The nature and structure of supervision in health visiting with victims of child sexual abuse.

PubMed

Scott, L

1999-03-01

Part of a higher research degree to explore professional practice. To explore how health visitors work with victims of child sexual abuse and the supervision systems to support them. To seek the views and experiences of practising health visitors relating to complex care in order to consider the nature and structure of supervision. The research reported in this paper used a qualitative method of research and semi-structured interviews with practising health visitors of varying levels of experience in venues around England. Qualitative research enabled the exploration of experiences. Identification of the need for regular, structured, accountable opportunities in a 'private setting' to discuss whole caseload work and current practice issues. Supervision requires a structured, formalized process, in both regularity and content, as a means to explore and acknowledge work with increasingly complex care, to enable full discussion of whole caseloads. Supervision is demonstrated as a vehicle to enable the sharing of good practices and for weak practices to be identified and managed appropriately. Supervision seeks to fulfil the above whilst promoting a stimulating, learning experience, accommodating the notion that individuals learn at their own pace and bring a wealth of human experience to the service. The size of the study was dictated by the amount of time available within which to complete a research master's degree course primarily in the author's own time, over a 2-year period. The majority of participants volunteered their accounts in their own time. For others I obtained permission from their employers for them to participate once they approached me with an interest in being interviewed. This research provides a model of supervision based on practitioner views and experiences. The article highlights the value of research and evidence-based information to enhance practice accountability and the quality of care. Proactive risk management can safeguard the health

Mechanical energy dissipation in natural ceramic composites.

PubMed

Mayer, George

2017-12-01

Ceramics and glasses, in their monolithic forms, typically exhibit low fracture toughness values, but rigid natural marine ceramic and glass composites have shown remarkable resistance to mechanical failure. This has been observed in load-extension behavior by recognizing that the total area under the curve, notably the part beyond the yield point, often conveys substantial capacity to carry mechanical load. The mechanisms underlying the latter observations are proposed as defining factors for toughness that provide resistance to failure, or capability to dissipate energy, rather than fracture toughness. Such behavior is exhibited in the spicules of glass sponges and in mollusk shells. There are a number of similarities in the manner in which energy dissipation takes place in both sponges and mollusks. It was observed that crack diversion, a new form of crack bridging, creation of new surface area, and other important energy-dissipating mechanisms occur and aid in "toughening". Crack tolerance, key to energy dissipation in these natural composite materials, is assisted by promoting energy distribution over large volumes of loaded specimens by minor components of organic constituents that also serve important roles as adhesives. Viscoelastic deformation was a notable characteristic of the organic component. Some of these energy-dissipating modes and characteristics were found to be quite different from the toughening mechanisms that are utilized for more conventional structural composites. Complementary to those mechanisms found in rigid natural ceramic/organic composites, layered architectures and very thin organic layers played major roles in energy dissipation in these structures. It has been demonstrated in rigid natural marine composites that not only architecture, but also the mechanical behavior of the individual constituents, the nature of the interfaces, and interfacial bonding play important roles in energy dissipation. Additionally, the controlling

Microstructural record of pressure solution and crystal plastic deformation in carbonate fault rocks from a shallow crustal strike-slip fault, Northern Calcareous Alps (Austria)

NASA Astrophysics Data System (ADS)

Bauer, Helene; Rogowitz, Anna; Grasemann, Benhard; Decker, Kurt

2017-04-01

This study presents microstructural investigations of natural carbonate fault rocks that formed by a suite of different deformation processes, involving hydro-fracturing, dissolution-precipitation creep and cataclasis. Some fault rocks show also clear indications of crystal plastic deformation, which is quite unexpected, as the fault rocks were formed in an upper crustal setting, raising the question of possible strongly localised, low temperature ductile deformation in carbonate rocks. The investigated carbonate fault rocks are from an exhumed, sinistral strike-slip fault at the eastern segment of the Salzachtal-Ennstal-Mariazell-Puchberg (SEMP) fault system in the Northern Calcareous Alps (Austria). The SEMP fault system formed during eastward lateral extrusion of the Eastern Alps in the Oligocene to Lower Miocene. Based on vitrinite reflectance data form intramontane Teritary basins within the Northern Calcareous Alps, a maximum burial depth of 4 km for the investigated fault segment is estimated. The investigated fault accommodated sinistral slip of several hundreds of meters. Microstructural analysis of fault rocks includes scanning electron microscopy, optical microscopy and electron backscattered diffraction mapping. The data show that fault rocks underwent various stages of evolution including early intense veining (hydro-fracturing) and stylolite formation reworked by localised shear zones. Cross cutting relationship reveals that veins never cross cut clay seams accumulated along stylolites. We conclude that pressure solution processes occured after hydro-fracturing. Clay enriched zones localized further deformation, producing a network of small-scale clay-rich shear zones of up to 1 mm thickness anastomosing around carbonate microlithons, varying from several mm down to some µm in size. Clay seams consist of kaolinit, chlorite and illite matrix and form (sub) parallel zones in which calcite was dissolved. Beside pressure solution, calcite microlithons

Effect of Bioaccumulation of Cs and Sr Natural Isotopes on Foliar Structure and Plant Spectral Reflectance of Indian Mustard (Brassica juncea)

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

Maruthi Sridhar, Y.S.B.B.; Han, F.X.; Monts, D.L.

2008-07-01

The objectives of this study are: 1.) evaluate the capacity of Indian mustard (Brassica juncea) for uptake and accumulation of Cs and Sr natural isotopes; 2.) identify foliar structural and other physiological changes (biomass, relative water content, etc.) resulting from the accumulation of these two elements; and 3.) monitor Cs and Sr uptake and bioaccumulation process by spectral reflectance. Potted Indian mustard plants were exposed to different concentrations of Cs (50 and 600 ppm) and Sr (50 and 300 ppm) natural isotopes in solution form for 23 days. Bioaccumulation of Cs and Sr was found in the order of leavesmore » > stems > roots for both Cs- and Sr-treated plants. The highest leaf Sr accumulation is observed to be 2708 mg kg{sup -1}, and the highest leaf Cs accumulation is 12251 mg kg{sup -1}. High translocation efficiency for both elements is documented by shoot/root concentration ratios greater than one. Relative water content (RWC) of the plants showed a significant (p < 0.05) decrease in Cs-treated plants. Cs accumulation also affected the pigment concentration and internal structure of the leaf and the spectral characteristics of plants. Within the applied concentration range, Sr accumulation resulted in no significant changes in RWC, structural and spectral characteristics of mustard plants. Cs shoot concentration showed significant negative correlation with relative water content RWC (r = -0.88) and Normalized Difference Vegetation Index (NDVI) (r = -0.68) of plant shoots. The canopy spectral reflectance and NDVI analysis clearly revealed (p < 0.05) the stress caused by Cs accumulation. (authors)« less

Materials taking a lesson from nature.

PubMed

Tian, Liangfei; Croisier, Emmanuel; Frauenrath, Holger

2013-01-01

Structural biomaterials with their often extraordinary properties and versatile functions are typically constructed from very limited sets of building blocks and types of supramolecular interactions. In this review we discuss how, inspired by nature's design principles for protein-based materials, oligopeptide-modified polymers can be used as a versatile toolbox to program nanostructure and hierarchical structure formation in synthetic materials.

Humans make efficient use of natural image statistics when performing spatial interpolation.

PubMed

D'Antona, Anthony D; Perry, Jeffrey S; Geisler, Wilson S

2013-12-16

Visual systems learn through evolution and experience over the lifespan to exploit the statistical structure of natural images when performing visual tasks. Understanding which aspects of this statistical structure are incorporated into the human nervous system is a fundamental goal in vision science. To address this goal, we measured human ability to estimate the intensity of missing image pixels in natural images. Human estimation accuracy is compared with various simple heuristics (e.g., local mean) and with optimal observers that have nearly complete knowledge of the local statistical structure of natural images. Human estimates are more accurate than those of simple heuristics, and they match the performance of an optimal observer that knows the local statistical structure of relative intensities (contrasts). This optimal observer predicts the detailed pattern of human estimation errors and hence the results place strong constraints on the underlying neural mechanisms. However, humans do not reach the performance of an optimal observer that knows the local statistical structure of the absolute intensities, which reflect both local relative intensities and local mean intensity. As predicted from a statistical analysis of natural images, human estimation accuracy is negligibly improved by expanding the context from a local patch to the whole image. Our results demonstrate that the human visual system exploits efficiently the statistical structure of natural images.

Fluid-structure interaction analysis and lifetime estimation of a natural gas pipeline centrifugal compressor under near-choke and near-surge conditions

NASA Astrophysics Data System (ADS)

Ju, Yaping; Liu, Hui; Yao, Ziyun; Xing, Peng; Zhang, Chuhua

2015-11-01

Up to present, there have been no studies concerning the application of fluid-structure interaction (FSI) analysis to the lifetime estimation of multi-stage centrifugal compressors under dangerous unsteady aerodynamic excitations. In this paper, computational fluid dynamics (CFD) simulations of a three-stage natural gas pipeline centrifugal compressor are performed under near-choke and near-surge conditions, and the unsteady aerodynamic pressure acting on impeller blades are obtained. Then computational structural dynamics (CSD) analysis is conducted through a one-way coupling FSI model to predict alternating stresses in impeller blades. Finally, the compressor lifetime is estimated using the nominal stress approach. The FSI results show that the impellers of latter stages suffer larger fluctuation stresses but smaller mean stresses than those at preceding stages under near-choke and near-surge conditions. The most dangerous position in the compressor is found to be located near the leading edge of the last-stage impeller blade. Compressor lifetime estimation shows that the investigated compressor can run up to 102.7 h under the near-choke condition and 200.2 h under the near-surge condition. This study is expected to provide a scientific guidance for the operation safety of natural gas pipeline centrifugal compressors.

Evaluation of the genetic structure present in natural populations of four subspecies of black cherry (Prunus serotina Ehrh.) from North America using SSR markers

USDA-ARS?s Scientific Manuscript database

Black cherry (Prunus serotina) is a fruit tree native to North America, and almost all parts of this plant have some use. This species is a complex of five subspecies with morphological differences and distinctive habitats. The genetic structure of 18 natural populations of black cherry was evaluate...

Natural cellulose fibers from soybean straw.

PubMed

Reddy, Narendra; Yang, Yiqi

2009-07-01

This paper reports the development of natural cellulose technical fibers from soybean straw with properties similar to the natural cellulose fibers in current use. About 220 million tons of soybean straw available in the world every year could complement the byproducts of other major food crops as inexpensive, abundant and annually renewable sources for natural cellulose fibers. Using the agricultural byproducts as sources for fibers could help to address the concerns on the future price and availability of both the natural and synthetic fibers in current use and also help to add value to the food crops. A simple alkaline extraction was used to obtain technical fibers from soybean straw and the composition, structure and properties of the fibers was studied. Technical fibers obtained from soybean straw have high cellulose content (85%) but low% crystallinity (47%). The technical fibers have breaking tenacity (2.7 g/den) and breaking elongation (3.9%) higher than those of fibers obtained from wheat straw and sorghum stalk and leaves but lower than that of cotton. Overall, the structure and properties of the technical fibers obtained from soybean straw indicates that the fibers could be suitable for use in textile, composite and other industrial applications.

The Journey of Recovery and Empowerment Embraced by Nature — Clients’ Perspectives on Nature-Based Rehabilitation in Relation to the Role of the Natural Environment

PubMed Central

Pálsdóttir, Anna María; Persson, Dennis; Persson, Birgitta; Grahn, Patrik

2014-01-01

This paper presents findings from real life situations, a longitudinal single case study on the role of natural environments in nature-based rehabilitation (NBR) for individuals with stress-related mental disorders, at the Alnarp Rehabilitation Garden in Sweden. A sample of 43 former clients voluntarily participated in semi-structured interview, and the data were analyzed according to interpretative phenomenological analysis (IPA). Three main superordinate themes were identified as the three phases of NBR—Prelude, Recuperating and Empowerment—explaining and illuminating the role of the natural environments in each phase. An explanatory model of NBR in this context is presented including the three phases of NBR, IRP supportive occupations and a pyramid of supporting environments. A new component of supportive environments was identified and herby named, Social quietness, an important component facilitating personal and intimate engagement with the natural environments. PMID:25026080

Methane hydrate formation in confined nanospace can surpass nature

DOE PAGES

Casco, Mirian E.; Silvestre-Albero, Joaquín; Ramírez-Cuesta, Anibal J.; ...

2015-03-02

Natural methane hydrates are believed to be the largest source of hydrocarbons on Earth. These structures are formed in specific locations such as deep-sea sediments and the permafrost based on demanding conditions of high pressure and low temperature. We report that, by taking advantage of the confinement effects on nanopore space, synthetic methane hydrates grow under mild conditions (3.5 MPa and 2 degrees C), with faster kinetics (within minutes) than nature, fully reversibly and with a nominal stoichiometry that mimics nature. Furthermore, the formation of the hydrate structures in nanospace and their similarity to natural hydrates is confirmed using inelasticmore » neutron scattering experiments and synchrotron X-ray powder diffraction. Our findings may be a step towards the application of a smart synthesis of methane hydrates in energy-demanding applications (for example, transportation).« less

Morphogenesis and mechanostabilization of complex natural and 3D printed shapes

PubMed Central

Tiwary, Chandra Sekhar; Kishore, Sharan; Sarkar, Suman; Mahapatra, Debiprosad Roy; Ajayan, Pulickel M.; Chattopadhyay, Kamanio

2015-01-01

The natural selection and the evolutionary optimization of complex shapes in nature are closely related to their functions. Mechanostabilization of shape of biological structure via morphogenesis has several beautiful examples. With the help of simple mechanics-based modeling and experiments, we show an important causality between natural shape selection as evolutionary outcome and the mechanostabilization of seashells. The effect of biological growth on the mechanostabilization process is identified with examples of two natural shapes of seashells, one having a diametrically converging localization of stresses and the other having a helicoidally concentric localization of stresses. We demonstrate how the evolved shape enables predictable protection of soft body parts of the species. The effect of bioavailability of natural material is found to be a secondary factor compared to shape selectivity, where material microstructure only acts as a constraint to evolutionary optimization. This is confirmed by comparing the mechanostabilization behavior of three-dimensionally printed synthetic polymer structural shapes with that of natural seashells consisting of ceramic and protein. This study also highlights interesting possibilities in achieving a new design of structures made of ordinary materials which have bio-inspired optimization objectives. PMID:26601170

Modern mass spectrometry for synthetic biology and structure-based discovery of natural products.

PubMed

Henke, Matthew T; Kelleher, Neil L

2016-08-27

Covering: up to 2016In this highlight, we describe the current landscape for dereplication and discovery of natural products based on the measurement of the intact mass by LC-MS. Often it is assumed that because better mass accuracy (provided by higher resolution mass spectrometers) is necessary for absolute chemical formula determination (≤1 part-per-million), that it is also necessary for dereplication of natural products. However, the average ability to dereplicate tapers off at ∼10 ppm, with modest improvement gained from better mass accuracy when querying focused databases of natural products. We also highlight some recent examples of how these platforms are applied to synthetic biology, and recent methods for dereplication and correlation of substructures using tandem MS data. We also offer this highlight to serve as a brief primer for those entering the field of mass spectrometry-based natural products discovery.

Bibliography of Research in Natural Language Generation

DTIC Science & Technology

1993-11-01

on 1397] Barbara J. Gross Focuing and description in Artifcial Intelligence (GWAI-88), Geseke, West natural language dialogues, In Joshi et al. (557...Proceedings of the Fifth Canadian Conference from information in a frame structure. Data and on Artificial Intelligence , pages Ŕ-24, London, Knowledge...generation workshops (IWNLGS, ENLGWS), natural language processing conferences (ANLP, TINLAP, SPEECH), artificial intelligence conferences (AAAI, SCA

Photonic structures in biology

NASA Astrophysics Data System (ADS)

Vukusic, Pete; Sambles, J. Roy

2003-08-01

Millions of years before we began to manipulate the flow of light using synthetic structures, biological systems were using nanometre-scale architectures to produce striking optical effects. An astonishing variety of natural photonic structures exists: a species of Brittlestar uses photonic elements composed of calcite to collect light, Morpho butterflies use multiple layers of cuticle and air to produce their striking blue colour and some insects use arrays of elements, known as nipple arrays, to reduce reflectivity in their compound eyes. Natural photonic structures are providing inspiration for technological applications.

Intraspecies Genomic Diversity and Natural Population Structure of the Meat-Borne Lactic Acid Bacterium Lactobacillus sakei▿ †

PubMed Central

Chaillou, Stéphane; Daty, Marie; Baraige, Fabienne; Dudez, Anne-Marie; Anglade, Patricia; Jones, Rhys; Alpert, Carl-Alfred; Champomier-Vergès, Marie-Christine; Zagorec, Monique

2009-01-01

Lactobacillus sakei is a food-borne bacterium naturally found in meat and fish products. A study was performed to examine the intraspecies diversity among 73 isolates sourced from laboratory collections in several different countries. Pulsed-field gel electrophoresis analysis demonstrated a 25% variation in genome size between isolates, ranging from 1,815 kb to 2,310 kb. The relatedness between isolates was then determined using a PCR-based method that detects the possession of 60 chromosomal genes belonging to the flexible gene pool. Ten different strain clusters were identified that had noticeable differences in their average genome size reflecting the natural population structure. The results show that many different genotypes may be isolated from similar types of meat products, suggesting a complex ecological habitat in which intraspecies diversity may be required for successful adaptation. Finally, proteomic analysis revealed a slight difference between the migration patterns of highly abundant GapA isoforms of the two prevailing L. sakei subspecies (sakei and carnosus). This analysis was used to affiliate the genotypic clusters with the corresponding subspecies. These findings reveal for the first time the extent of intraspecies genomic diversity in L. sakei. Consequently, identification of molecular subtypes may in the future prove valuable for a better understanding of microbial ecosystems in food products. PMID:19114527

Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry.

PubMed

Kind, Tobias; Fiehn, Oliver

2017-09-01

Complete structural elucidation of natural products is commonly performed by nuclear magnetic resonance spectroscopy (NMR), but annotating compounds to most likely structures using high-resolution tandem mass spectrometry is a faster and feasible first step. The CASMI contest 2016 (Critical Assessment of Small Molecule Identification) provided spectra of eighteen compounds for the best manual structure identification in the natural products category. High resolution precursor and tandem mass spectra (MS/MS) were available to characterize the compounds. We used the Seven Golden Rules, Sirius2 and MS-FINDER software for determination of molecular formulas, and then we queried the formulas in different natural product databases including DNP, UNPD, ChemSpider and REAXYS to obtain molecular structures. We used different in-silico fragmentation tools including CFM-ID, CSI:FingerID and MS-FINDER to rank these compounds. Additional neutral losses and product ion peaks were manually investigated. This manual and time consuming approach allowed for the correct dereplication of thirteen of the eighteen natural products.

Crystal structure of the human cytosolic sialidase Neu2. Evidence for the dynamic nature of substrate recognition.

PubMed

Chavas, Leonard M G; Tringali, Cristina; Fusi, Paola; Venerando, Bruno; Tettamanti, Guido; Kato, Ryuichi; Monti, Eugenio; Wakatsuki, Soichi

2005-01-07

Gangliosides play key roles in cell differentiation, cell-cell interactions, and transmembrane signaling. Sialidases hydrolyze sialic acids to produce asialo compounds, which is the first step of degradation processes of glycoproteins and gangliosides. Sialidase involvement has been implicated in some lysosomal storage disorders such as sialidosis and galactosialidosis. Neu2 is a recently identified human cytosolic sialidase. Here we report the first high resolution x-ray structures of mammalian sialidase, human Neu2, in its apo form and in complex with an inhibitor, 2-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA). The structure shows the canonical six-blade beta-propeller observed in viral and bacterial sialidases with its active site in a shallow crevice. In the complex structure, the inhibitor lies in the catalytic crevice surrounded by ten amino acids. In particular, the arginine triad, conserved among sialidases, aids in the proper positioning of the carboxylate group of DANA within the active site region. The tyrosine residue, Tyr(334), conserved among mammalian and bacterial sialidases as well as in viral neuraminidases, facilitates the enzymatic reaction by stabilizing a putative carbonium ion in the transition state. The loops containing Glu(111) and the catalytic aspartate Asp(46) are disordered in the apo form but upon binding of DANA become ordered to adopt two short alpha-helices to cover the inhibitor, illustrating the dynamic nature of substrate recognition. The N-acetyl and glycerol moieties of DANA are recognized by Neu2 residues not shared by bacterial sialidases and viral neuraminidases, which can be regarded as a key structural difference for potential drug design against bacteria, influenza, and other viruses.

Wind Extraction for Natural Ventilation

NASA Astrophysics Data System (ADS)

Fagundes, Tadeu; Yaghoobian, Neda; Kumar, Rajan; Ordonez, Juan

2017-11-01

Due to the depletion of energy resources and the environmental impact of pollution and unsustainable energy resources, energy consumption has become one of the main concerns in our rapidly growing world. Natural ventilation, a traditional method to remove anthropogenic and solar heat gains, proved to be a cost-effective, alternative method to mechanical ventilation. However, while natural ventilation is simple in theory, its detailed design can be a challenge, particularly for wind-driven ventilation, which its performance highly involves the buildings' form, surrounding topography, turbulent flow characteristics, and climate. One of the main challenges with wind-driven natural ventilation schemes is due to the turbulent and unpredictable nature of the wind around the building that impose complex pressure loads on the structure. In practice, these challenges have resulted in founding the natural ventilation mainly on buoyancy (rather than the wind), as the primary force. This study is the initial step for investigating the physical principals of wind extraction over building walls and investigating strategies to reduce the dependence of the wind extraction on the incoming flow characteristics and the target building form.

Reconstruction of structure and function in tissue engineering of solid organs: Toward simulation of natural development based on decellularization.

PubMed

Zheng, Chen-Xi; Sui, Bing-Dong; Hu, Cheng-Hu; Qiu, Xin-Yu; Zhao, Pan; Jin, Yan

2018-04-27

Failure of solid organs, such as the heart, liver, and kidney, remains a major cause of the world's mortality due to critical shortage of donor organs. Tissue engineering, which uses elements including cells, scaffolds, and growth factors to fabricate functional organs in vitro, is a promising strategy to mitigate the scarcity of transplantable organs. Within recent years, different construction strategies that guide the combination of tissue engineering elements have been applied in solid organ tissue engineering and have achieved much progress. Most attractively, construction strategy based on whole-organ decellularization has become a popular and promising approach, because the overall structure of extracellular matrix can be well preserved. However, despite the preservation of whole structure, the current constructs derived from decellularization-based strategy still perform partial functions of solid organs, due to several challenges, including preservation of functional extracellular matrix structure, implementation of functional recellularization, formation of functional vascular network, and realization of long-term functional integration. This review overviews the status quo of solid organ tissue engineering, including both advances and challenges. We have also put forward a few techniques with potential to solve the challenges, mainly focusing on decellularization-based construction strategy. We propose that the primary concept for constructing tissue-engineered solid organs is fabricating functional organs based on intact structure via simulating the natural development and regeneration processes. Copyright © 2018 John Wiley & Sons, Ltd.

Using Plants to Explore the Nature & Structural Complexity of Life

ERIC Educational Resources Information Center

Howard, Ava R.

2014-01-01

Use of real specimens brings the study of biology to life. This activity brings easily acquired plant specimens into the classroom to tackle common alternative conceptions regarding life, size, complexity, the nature of science, and plants as multicellular organisms. The activity occurs after a discussion of the characteristics of life and engages…

Thermal properties of hydrogenated liquid natural rubber

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

Jamaluddin, Naharullah; Abdullah, Ibrahim; Yusoff, Siti Fairus M.

Natural rubber (NR) was modified to form liquid natural rubber (LNR) via photooxidative degradation. Hydrogenated liquid natural rubber (HLNR) was synthesized by using diimide as source of hydrogen which the diimide is produced by thermolysis of p-toluenesulfonyl hydrazide (TSH). The structure of HLNR was characterized by determining the changes of main peaks in Fourier Transform infrared and nuclear magnetic resonance spectra after hydrogenation. Thermogravimetric analysis showed that the HLNR had higher decomposition temperature compared to LNR and the decomposition temperature is directly proportional to the percentage of conversion.

Thermal properties of hydrogenated liquid natural rubber

NASA Astrophysics Data System (ADS)

Jamaluddin, Naharullah; Abdullah, Ibrahim; Yusoff, Siti Fairus M.

2015-09-01

Natural rubber (NR) was modified to form liquid natural rubber (LNR) via photooxidative degradation. Hydrogenated liquid natural rubber (HLNR) was synthesized by using diimide as source of hydrogen which the diimide is produced by thermolysis of p-toluenesulfonyl hydrazide (TSH). The structure of HLNR was characterized by determining the changes of main peaks in Fourier Transform infrared and nuclear magnetic resonance spectra after hydrogenation. Thermogravimetric analysis showed that the HLNR had higher decomposition temperature compared to LNR and the decomposition temperature is directly proportional to the percentage of conversion.

Understanding Complex Natural Systems by Articulating Structure-Behavior-Function Models

ERIC Educational Resources Information Center

Vattam, Swaroop S.; Goel, Ashok K.; Rugaber, Spencer; Hmelo-Silver, Cindy E.; Jordan, Rebecca; Gray, Steven; Sinha, Suparna

2011-01-01

Artificial intelligence research on creative design has led to Structure-Behavior-Function (SBF) models that emphasize functions as abstractions for organizing understanding of physical systems. Empirical studies on understanding complex systems suggest that novice understanding is shallow, typically focusing on their visible structures and…

Population genetic structure in Atlantic and Pacific Ocean common murres (Uria aalge): Natural replicate tests of post-Pleistocene evolution

USGS Publications Warehouse

Morris-Pocock, J. A.; Taylor, S.A.; Birt, T.P.; Damus, M.; Piatt, John F.; Warheit, K.I.; Friesen, Vicki L.

2008-01-01

Understanding the factors that influence population differentiation in temperate taxa can be difficult because the signatures of both historic and contemporary demographics are often reflected in population genetic patterns. Fortunately, analyses based on coalescent theory can help untangle the relative influence of these historic and contemporary factors. Common murres (Uria aalge) are vagile seabirds that breed in the boreal and low arctic waters of the Northern Hemisphere. Previous analyses revealed that Atlantic and Pacific populations are genetically distinct; however, less is known about population genetic structure within ocean basins. We employed the mitochondrial control region, four microsatellite loci and four intron loci to investigate population genetic structure throughout the range of common murres. As in previous studies, we found that Atlantic and Pacific populations diverged during the Pleistocene and do not currently exchange migrants. Therefore, Atlantic and Pacific murre populations can be used as natural replicates to test mechanisms of population differentiation. While we found little population genetic structure within the Pacific, we detected significant east-west structuring among Atlantic colonies. The degree that population genetic structure reflected contemporary population demographics also differed between ocean basins. Specifically, while the low levels of population differentiation in the Pacific are at least partially due to high levels of contemporary gene flow, the east-west structuring of populations within the Atlantic appears to be the result of historic fragmentation of populations rather than restricted contemporary gene flow. The contrasting results in the Atlantic and Pacific Oceans highlight the necessity of carefully considering multilocus nonequilibrium population genetic approaches when reconstructing the demographic history of temperate Northern Hemisphere taxa. ?? 2008 The Authors.

Redox Transformations of As and Se at the Surfaces of Natural and Synthetic Ferric Nontronites: Role of Structural and Adsorbed Fe(II)

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

Ilgen, Anastasia G.; Kruichak, Jessica N.; Artyushkova, Kateryna

Adsorption and redox transformations on clay mineral surfaces are prevalent in surface environments. We examined the redox reactivity of iron Fe(II)/Fe(III) associated with natural and synthetic ferric nontronites. Specifically, we assessed how Fe(II) residing in the octahedral sheets, or Fe(II) adsorbed at the edge sites alters redox activity of nontronites. To probe the redox activity we used arsenic (As) and selenium (Se). Activation of both synthetic and natural ferric nontronites was. observed following the introduction of Fe(II) into predominantly-Fe(III) octahedral sheets or through the adsorption of Fe(II) onto the mineral surface. The oxidation of As(III) to As(V) was observed viamore » catalytic (oxic conditions) and, to a lesser degree, via direct (anoxic conditions) pathways. We provide experimental evidence for electron transfer from As(III) to Fe(111) at the natural and synthetic nontronite surfaces, and illustrate that only a fraction of structural Fe(III) is accessible for redox transformations. We show that As adsorbed onto natural and synthetic nontronites forms identical adsorption complexes, namely inner-sphere binuclear bidentate. In conclusion, we show that the formation of an inner-sphere adsorption complex may be a necessary step for the redox transformation via catalytic or direct oxidation pathways.« less

Redox Transformations of As and Se at the Surfaces of Natural and Synthetic Ferric Nontronites: Role of Structural and Adsorbed Fe(II)

DOE PAGES

Ilgen, Anastasia G.; Kruichak, Jessica N.; Artyushkova, Kateryna; ...

2017-08-29

Adsorption and redox transformations on clay mineral surfaces are prevalent in surface environments. We examined the redox reactivity of iron Fe(II)/Fe(III) associated with natural and synthetic ferric nontronites. Specifically, we assessed how Fe(II) residing in the octahedral sheets, or Fe(II) adsorbed at the edge sites alters redox activity of nontronites. To probe the redox activity we used arsenic (As) and selenium (Se). Activation of both synthetic and natural ferric nontronites was. observed following the introduction of Fe(II) into predominantly-Fe(III) octahedral sheets or through the adsorption of Fe(II) onto the mineral surface. The oxidation of As(III) to As(V) was observed viamore » catalytic (oxic conditions) and, to a lesser degree, via direct (anoxic conditions) pathways. We provide experimental evidence for electron transfer from As(III) to Fe(111) at the natural and synthetic nontronite surfaces, and illustrate that only a fraction of structural Fe(III) is accessible for redox transformations. We show that As adsorbed onto natural and synthetic nontronites forms identical adsorption complexes, namely inner-sphere binuclear bidentate. In conclusion, we show that the formation of an inner-sphere adsorption complex may be a necessary step for the redox transformation via catalytic or direct oxidation pathways.« less

Structure elucidation of organic compounds from natural sources using 1D and 2D NMR techniques

NASA Astrophysics Data System (ADS)

Topcu, Gulacti; Ulubelen, Ayhan

2007-05-01

In our continuing studies on Lamiaceae family plants including Salvia, Teucrium, Ajuga, Sideritis, Nepeta and Lavandula growing in Anatolia, many terpenoids, consisting of over 50 distinct triterpenoids and steroids, and over 200 diterpenoids, several sesterterpenoids and sesquiterpenoids along with many flavonoids and other phenolic compounds have been isolated. For Salvia species abietanes, for Teucrium and Ajuga species neo-clerodanes for Sideritis species ent-kaurane diterpenes are characteristic while nepetalactones are specific for Nepeta species. In this review article, only some interesting and different type of skeleton having constituents, namely rearranged, nor- or rare diterpenes, isolated from these species will be presented. For structure elucidation of these natural diterpenoids intensive one- and two-dimensional NMR techniques ( 1H, 13C, APT, DEPT, NOE/NOESY, 1H- 1H COSY, HETCOR, COLOC, HMQC/HSQC, HMBC, SINEPT) were used besides mass and some other spectroscopic methods.

Azaglycomimetics: Natural Occurrence, Biological Activity, and Application

NASA Astrophysics Data System (ADS)

Asano, Naoki

A large number of alkaloids mimicking the structures of monosaccharides or oligosaccharides have been isolated from plants and microorganisms. The sugar mimicking alkaloids with a nitrogen in the ring are called azasugars or iminosugars. Naturally occurring azasugars are classified into five structural classes: polyhydroxylated piperidines, pyrrolidines, indolizidines, pyrrolizidines, and nortropanes. They are easily soluble in water because of their polyhydroxylated structures and inhibit glycosidases because of a structural resemblance to the sugar moiety of the natural substrate. Glycosidases are involved in a wide range of anabolic and catabolic processes, such as digestion, lysosomal catabolism of glycoconjugates, biosynthesis of glycoproteins, and the endoplasmic reticulum (ER) quality control and ER-associated degradation of glycoproteins. Hence, modifying or blocking these processes in vivo by inhibitors is of great interest from a therapeutic point of view. Azasugars are an important class of glycosidase inhibitors and are arousing great interest for instance as antidiabetics, antiobesity drugs, antivirals, and therapeutic agents for some genetic disorders. This review describes the recent studies on isolation, characterization, glycosidase inhibitory activity, and therapeutic application of azaglycomimetics.

Diversity and abundance of phosphonate biosynthetic genes in nature

USDA-ARS?s Scientific Manuscript database

Phosphonates, molecules containing direct C-P bonds, comprise a structurally diverse class of natural products with interesting and useful biological properties. Although their synthesis in protozoa was discovered more than fifty years ago, the extent and diversity of phosphonate production in natur...

Biomimetic photonic materials with tunable structural colors.

PubMed

Xu, Jun; Guo, Zhiguang

2013-09-15

Nature is a huge gallery of art involving nearly perfect structures and forms over the millions of years developing. Inspiration from natural structures exhibiting structural colors is first discussed. We give some examples of natural one-, two-, and three-dimensional photonic structures. This review article presents a brief summary of recent progress on bio-inspired photonic materials with variable structural colors, including the different facile and efficient routes to construct the nano-architectures, and the development of the artificial variable structural color photonic materials. Besides the superior optical properties, the excellent functions such as robust mechanical strength, good wettability are also mentioned, as well as the technical importance in various applications. This review will provide significant insight into the fabrication, design and application of the structural color materials. Copyright © 2013 Elsevier Inc. All rights reserved.

A natural product based DOS library of hybrid systems.

PubMed

Prabhu, Ganesh; Agarwal, Shalini; Sharma, Vijeta; Madurkar, Sanjay M; Munshi, Parthapratim; Singh, Shailja; Sen, Subhabrata

2015-05-05

Here we described a natural product inspired modular DOS strategy for the synthesis of a library of hybrid systems that are structurally and stereochemically disparate. The main scaffold is a pyrroloisoquinoline motif, that is synthesized from tandem Pictet-Spengler lactamization. The structural diversity is generated via "privileged scaffolds" that are attached at the appropriate site of the motif. Screening of the library compounds for their antiplasmodial activity against chloroquine sensitive 3D7 cells indicated few compounds with moderate activity (20-50 μM). A systematic comparison of structural intricacy between the library members and a natural product dataset obtained from ZINC(®) revealed comparable complexity. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody

PubMed Central

Ramsland, Paul A.; Terzyan, Simon S.; Cloud, Gwendolyn; Bourne, Christina R.; Farrugia, William; Tribbick, Gordon; Geysen, H. Mario; Moomaw, Carolyn R.; Slaughter, Clive A.; Edmundson, Allen B.

2006-01-01

The 2.6 Å (1 Å=0.1 nm) resolution structure has been determined for the glycosylated Fab (fragment antigen binding) of an IgM (Yvo) obtained from a subject with Waldenström's macroglobulinaemia. Dynamic light scattering was used to estimate the gel point and monitor the formation of an ordered hydroscopic gel of Yvo IgM upon cooling. If a cryoglobulin forms gels in peripheral tissues and organs, the associated swelling and damage to microvasculature can result in considerable morbidity and mortality. The three-dimensional structure of the branched N-linked oligosaccharide associated with the CH1 domain (first constant domain of heavy chain) is reported. The carbohydrate may act to shield part of the lateral surface of the CH1 domain and crowd the junction between the CH1 and CH2 domains, thereby limiting the segmental flexibility of the Fab arms in intact Yvo IgM, especially at low temperatures. Recently, Yvo IgM was shown to have the properties of a naturally occurring proteolytic antibody [Paul, Karle, Planque, Taguchi, Salas, Nishiyama, Handy, Hunter, Edmundson and Hanson (2004) J. Biol. Chem. 279, 39611–39619; Planque, Bangale, Song, Karle, Taguchi, Poindexter, Bick, Edmundson, Nishiyama and Paul (2004) J. Biol Chem. 279, 14024–14032]. The Yvo protein displayed the ability to cleave, by a nucleophilic mechanism, the amide bonds of a variety of serine protease substrates and the gp120 coat protein of HIV. An atypical serine, arginine and glutamate motif is located in the middle of the Yvo antigen-binding site and displays an overall geometry that mimics the classical serine, histidine and aspartate catalytic triad of serine proteases. Our present findings indicate that pre-existing or natural antibodies can utilize at least one novel strategy for the cleavage of peptide bonds. PMID:16422668

An effect of humid climate on micro structure and chemical component of natural composite (Boehmeria nivea-Albizia falcata) based wind turbine blade

NASA Astrophysics Data System (ADS)

Sudarsono, S.; Purwanto; Sudarsono, Johny W.

2018-02-01

In this work, wind turbine blade NACA 4415 is fabricated from natural composite of Boehmeria nivea and Albizia falcate. The composite fabrication method used is hand lay up method. The aim of the work is to investigate an effect of humid climate of coastal area on micro structure and chemical composition of composite material of the blade. The wind turbine is tested at Pantai Baru, Bantul, Yogyakarta for 5.5 months. The micro structure scanning is performed with Scanning Electron Microscope (SEM) and material component is measured with Energy Dispersive X-ray spectrometer (EDS). The samples are tested before and after the use within 5.5 month at the location. The results show that composite material inexperienced interface degradation and insignificant change of micro structure. From EDS test, it is observed that Na filtration reduces C and increases O in composite material after 5.5 months.

Protein Structure

ERIC Educational Resources Information Center

Asmus, Elaine Garbarino

2007-01-01

Individual students model specific amino acids and then, through dehydration synthesis, a class of students models a protein. The students clearly learn amino acid structure, primary, secondary, tertiary, and quaternary structure in proteins and the nature of the bonds maintaining a protein's shape. This activity is fun, concrete, inexpensive and…

Crossing Phenomena in Overhead Line Equipment (OHLE) Structure in 3D Space Considering Soil-Structure Interaction

NASA Astrophysics Data System (ADS)

Ngamkhanong, Chayut; Kaewunruen, Sakdirat; Baniotopoulos, Charalampos; Papaelias, Mayorkinos

2017-10-01

Nowadays, the electric train becomes one of the efficient railway systems that are lighter, cleaner, quieter, cheaper and faster than a conventional train. Overhead line equipment (OHLE), which supplies electric power to the trains, is designed on the principle of overhead wires placed over the railway track. The OHLE is supported by mast structure which located at the lineside along the track. Normally, mast structure is a steel column or truss structure which supports the overhead wire carrying the power. Due to the running train and severe periodic force, such as an earthquake, in surrounding area may cause damage to the OHLE structure especially mast structure which leads to the failure of the electrical system. The mast structure needs to be discussed in order to resist the random forces. Due to the vibration effect, the natural frequencies of the structure are necessary. This is because when the external applied force occurs within a range of frequency of the structure, resonance effect can be expected which lead to the large oscillations and deflections. The natural frequency of a system is dependent only on the stiffness of the structure and the mass which participates with the structure, including self-weight. The modal analysis is used in order to calculate the mode shapes and natural frequencies of the mast structure during free vibration. A mast structure with varying rotational soil stiffness is used to observe the influence of soil-structure action. It is common to use finite element analysis to perform a modal analysis. This paper presents the fundamental mode shapes, natural frequencies and crossing phenomena of three-dimensional mast structure considering soil-structure interaction. The sensitivity of mode shapes to the variation of soil-structure interaction is discussed. The outcome of this study will improve the understanding of the fundamental dynamic behaviour of the mast structure which supports the OHLE. Moreover, this study will be a

Frequency and Nature of Infectious Risk Moments During Acute Care Based on the INFORM Structured Classification Taxonomy.

PubMed

Clack, Lauren; Passerini, Simone; Wolfensberger, Aline; Sax, Hugo; Manser, Tanja

2018-03-01

OBJECTIVE In this study, we sought to establish a comprehensive inventory of infectious risk moments (IRMs), defined as seemingly innocuous yet frequently occurring care manipulations potentially resulting in transfer of pathogens to patients. We also aimed to develop and employ an observational taxonomy to quantify the frequency and nature of IRMs in acute-care settings. DESIGN Prospective observational study and establishment of observational taxonomy. SETTING Intensive care unit, general medical ward, and emergency ward of a university-affiliated hospital. PARTICIPANTS Healthcare workers (HCWs) METHODS Exploratory observations were conducted to identify IRMs, which were coded based on the surfaces involved in the transmission pathway to establish a structured taxonomy. Structured observations were performed using this taxonomy to quantify IRMs in all 3 settings. RESULTS Following 129.17 hours of exploratory observations, identified IRMs involved HCW hands, gloves, care devices, mobile objects, and HCW clothing and accessories. A structured taxonomy called INFORM (INFectiOus Risk Moment) was established to classify each IRM according to the source, vector, and endpoint of potential pathogen transfer. We observed 1,138 IRMs during 53.77 hours of structured observations (31.25 active care hours) for an average foundation of 42.8 IRMs per active care hour overall, and average densities of 34.9, 36.8, and 56.3 IRMs in the intensive care, medical, and emergency wards, respectively. CONCLUSIONS Hands and gloves remain among the most important contributors to the transfer of pathogens within the healthcare setting, but medical devices, mobile objects, invasive devices, and HCW clothing and accessories may also contribute to patient colonization and/or infection. The INFORM observational taxonomy and IRM inventory presented may benefit clinical risk assessment, training and education, and future research. Infect Control Hosp Epidemiol 2018;39:272-279.

Prioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs.

PubMed

Egieyeh, Samuel Ayodele; Syce, James; Malan, Sarel F; Christoffels, Alan

2016-01-29

A large number of natural products have shown in vitro antiplasmodial activities. Early identification and prioritization of these natural products with potential for novel mechanism of action, desirable pharmacokinetics and likelihood for development into drugs is advantageous. Chemo-informatic profiling of these natural products were conducted and compared to currently registered anti-malarial drugs (CRAD). Natural products with in vitro antiplasmodial activities (NAA) were compiled from various sources. These natural products were sub-divided into four groups based on inhibitory concentration (IC50). Key molecular descriptors and physicochemical properties were computed for these compounds and analysis of variance used to assess statistical significance amongst the sets of compounds. Molecular similarity analysis, estimation of drug-likeness, in silico pharmacokinetic profiling, and exploration of structure-activity landscape were also carried out on these sets of compounds. A total of 1040 natural products were selected and a total of 13 molecular descriptors were analysed. Significant differences were observed among the sub-groups of NAA and CRAD for at least 11 of the molecular descriptors, including number of hydrogen bond donors and acceptors, molecular weight, polar and hydrophobic surface areas, chiral centres, oxygen and nitrogen atoms, and shape index. The remaining molecular descriptors, including clogP, number of rotatable bonds and number of aromatic rings, did not show any significant difference when comparing the two compound sets. Molecular similarity and chemical space analysis identified natural products that were structurally diverse from CRAD. Prediction of the pharmacokinetic properties and drug-likeness of these natural products identified over 50% with desirable drug-like properties. Nearly 70% of all natural products were identified as potentially promiscuous compounds. Structure-activity landscape analysis highlighted compound pairs that

Antifungal potential of marine natural products.

PubMed

El-Hossary, Ebaa M; Cheng, Cheng; Hamed, Mostafa M; El-Sayed Hamed, Ashraf Nageeb; Ohlsen, Knut; Hentschel, Ute; Abdelmohsen, Usama Ramadan

2017-01-27

Fungal diseases represent an increasing threat to human health worldwide which in some cases might be associated with substantial morbidity and mortality. However, only few antifungal drugs are currently available for the treatment of life-threatening fungal infections. Furthermore, plant diseases caused by fungal pathogens represent a worldwide economic problem for the agriculture industry. The marine environment continues to provide structurally diverse and biologically active secondary metabolites, several of which have inspired the development of new classes of therapeutic agents. Among these secondary metabolites, several compounds with noteworthy antifungal activities have been isolated from marine microorganisms, invertebrates, and algae. During the last fifteen years, around 65% of marine natural products possessing antifungal activities have been isolated from sponges and bacteria. This review gives an overview of natural products from diverse marine organisms that have shown in vitro and/or in vivo potential as antifungal agents, with their mechanism of action whenever applicable. The natural products literature is covered from January 2000 until June 2015, and we are reporting the chemical structures together with their biological activities, as well as the isolation source. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Catalyst-controlled oligomerization for the collective synthesis of polypyrroloindoline natural products.

PubMed

Jamison, Christopher R; Badillo, Joseph J; Lipshultz, Jeffrey M; Comito, Robert J; MacMillan, David W C

2017-12-01

In nature, many organisms generate large families of natural product metabolites that have related molecular structures as a means to increase functional diversity and gain an evolutionary advantage against competing systems within the same environment. One pathway commonly employed by living systems to generate these large classes of structurally related families is oligomerization, wherein a series of enzymatically catalysed reactions is employed to generate secondary metabolites by iteratively appending monomers to a growing serial oligomer chain. The polypyrroloindolines are an interesting class of oligomeric natural products that consist of multiple cyclotryptamine subunits. Herein we describe an iterative application of asymmetric copper catalysis towards the synthesis of six distinct oligomeric polypyrroloindoline natural products: hodgkinsine, hodgkinsine B, idiospermuline, quadrigemine H and isopsychotridine B and C. Given the customizable nature of the small-molecule catalysts employed, we demonstrate that this strategy is further amenable to the construction of quadrigemine H-type alkaloids not isolated previously from natural sources.

Catalyst-controlled oligomerization for the collective synthesis of polypyrroloindoline natural products

NASA Astrophysics Data System (ADS)

Jamison, Christopher R.; Badillo, Joseph J.; Lipshultz, Jeffrey M.; Comito, Robert J.; MacMillan, David W. C.

2017-12-01

In nature, many organisms generate large families of natural product metabolites that have related molecular structures as a means to increase functional diversity and gain an evolutionary advantage against competing systems within the same environment. One pathway commonly employed by living systems to generate these large classes of structurally related families is oligomerization, wherein a series of enzymatically catalysed reactions is employed to generate secondary metabolites by iteratively appending monomers to a growing serial oligomer chain. The polypyrroloindolines are an interesting class of oligomeric natural products that consist of multiple cyclotryptamine subunits. Herein we describe an iterative application of asymmetric copper catalysis towards the synthesis of six distinct oligomeric polypyrroloindoline natural products: hodgkinsine, hodgkinsine B, idiospermuline, quadrigemine H and isopsychotridine B and C. Given the customizable nature of the small-molecule catalysts employed, we demonstrate that this strategy is further amenable to the construction of quadrigemine H-type alkaloids not isolated previously from natural sources.

The lawful imprecision of human surface tilt estimation in natural scenes

PubMed Central

2018-01-01

Estimating local surface orientation (slant and tilt) is fundamental to recovering the three-dimensional structure of the environment. It is unknown how well humans perform this task in natural scenes. Here, with a database of natural stereo-images having groundtruth surface orientation at each pixel, we find dramatic differences in human tilt estimation with natural and artificial stimuli. Estimates are precise and unbiased with artificial stimuli and imprecise and strongly biased with natural stimuli. An image-computable Bayes optimal model grounded in natural scene statistics predicts human bias, precision, and trial-by-trial errors without fitting parameters to the human data. The similarities between human and model performance suggest that the complex human performance patterns with natural stimuli are lawful, and that human visual systems have internalized local image and scene statistics to optimally infer the three-dimensional structure of the environment. These results generalize our understanding of vision from the lab to the real world. PMID:29384477

The lawful imprecision of human surface tilt estimation in natural scenes.

PubMed

Kim, Seha; Burge, Johannes

2018-01-31

Estimating local surface orientation (slant and tilt) is fundamental to recovering the three-dimensional structure of the environment. It is unknown how well humans perform this task in natural scenes. Here, with a database of natural stereo-images having groundtruth surface orientation at each pixel, we find dramatic differences in human tilt estimation with natural and artificial stimuli. Estimates are precise and unbiased with artificial stimuli and imprecise and strongly biased with natural stimuli. An image-computable Bayes optimal model grounded in natural scene statistics predicts human bias, precision, and trial-by-trial errors without fitting parameters to the human data. The similarities between human and model performance suggest that the complex human performance patterns with natural stimuli are lawful, and that human visual systems have internalized local image and scene statistics to optimally infer the three-dimensional structure of the environment. These results generalize our understanding of vision from the lab to the real world. © 2018, Kim et al.

Homophyly/kinship hypothesis: Natural communities, and predicting in networks

NASA Astrophysics Data System (ADS)

Li, Angsheng; Li, Jiankou; Pan, Yicheng

2015-02-01

It has been a longstanding challenge to understand natural communities in real world networks. We proposed a community finding algorithm based on fitness of networks, two algorithms for prediction, accurate prediction and confirmation of keywords for papers in the citation network Arxiv HEP-TH (high energy physics theory), and the measures of internal centrality, external de-centrality, internal and external slopes to characterize the structures of communities. We implemented our algorithms on 2 citation and 5 cooperation graphs. Our experiments explored and validated a homophyly/kinship principle of real world networks. The homophyly/kinship principle includes: (1) homophyly is the natural selection in real world networks, similar to Darwin's kinship selection in nature, (2) real world networks consist of natural communities generated by the natural selection of homophyly, (3) most individuals in a natural community share a short list of common attributes, (4) natural communities have an internal centrality (or internal heterogeneity) that a natural community has a few nodes dominating most of the individuals in the community, (5) natural communities have an external de-centrality (or external homogeneity) that external links of a natural community homogeneously distributed in different communities, and (6) natural communities of a given network have typical structures determined by the internal slopes, and have typical patterns of outgoing links determined by external slopes, etc. Our homophyly/kinship principle perfectly matches Darwin's observation that animals from ants to people form social groups in which most individuals work for the common good, and that kinship could encourage altruistic behavior. Our homophyly/kinship principle is the network version of Darwinian theory, and builds a bridge between Darwinian evolution and network science.

Observations of Scour and Transport at Coastal Structures from the 2011 Tohoku Tsunami - Implications for Flow in Natural Terrain

NASA Astrophysics Data System (ADS)

Petroff, C. M.

2011-12-01

Before the March 11, 2011 Tohoku tsunami, many communities along the Japan coast had shore protection barriers, some designed specifically to provide protection from tsunamis and others for typhoon and storm surge protection. A vast number of these structures were overtopped, damaged or destroyed by the high inundation and currents generated in the tsunami. Observations are presented about scour features at man-made coastal structures in the Tohoku region as well as the hydraulic transport of debris from these structures. Along with providing lessons for structure design and maintenance, these observations have implications for hydraulic transport in natural terrain, not only at hard points such as rock outcrops but also at other features such as river mouths, barrier islands and coastal dunes. As an example, Photo 1 shows the overtopping flow at the seawall at Noda, in the Iwate prefecture. From the point of view of hydraulics the type of flow seen in the photo is more like that at an in-line weir or spillway than the wave conditions for which the structure was designed. On the lee or downstream side of such structures, the flow is supercritical resulting in a supercritical to subcritical transition near the landward toe of the seawall. High flow velocities along with increased pore pressure and overturning flow create very deep scour in these locations Such as the zone clearly seen in Photo 2 behind the seawall at the Sendai airport. It is anticipated that similar hydraulic conditions would occur for flow over a high coastal dune ridge where the ridge would act as a flow control point and locally high velocities on the landward side of the ridge would result in high erosion and scour. Other examples are given.

Glucosinolate structures in evolution.

PubMed

Agerbirk, Niels; Olsen, Carl Erik

2012-05-01

By 2000, around 106 natural glucosinolates (GSLs) were probably documented. In the past decade, 26 additional natural GSL structures have been elucidated and documented. Hence, the total number of documented GSLs from nature by 2011 can be estimated to around 132. A considerable number of additional suggested structures are concluded not to be sufficiently documented. In many cases, NMR spectroscopy would have provided the missing structural information. Of the GSLs documented in the past decade, several are of previously unexpected structures and occur at considerable levels. Most originate from just four species: Barbarea vulgaris, Arabidopsis thaliana, Eruca sativa and Isatis tinctoria. Acyl derivatives of known GSLs comprised 15 of the 26 newly documented structures, while the remaining exhibited new substitution patterns or chain length, or contained a mercapto group or related thio-functionality. GSL identification methods are reviewed, and the importance of using authentic references and structure-sensitive detection methods such as MS and NMR is stressed, especially when species with relatively unknown chemistry are analyzed. An example of qualitative GSL analysis is presented with experimental details (group separation and HPLC of both intact and desulfated GSLs, detection and structure determination by UV, MS, NMR and susceptibility to myrosinase) with emphasis on the use of NMR for structure elucidation of even minor GSLs and GSL hydrolysis products. The example includes identification of a novel GSL, (R)-2-hydroxy-2-(3-hydroxyphenyl)ethylglucosinolate. Recent investigations of GSL evolution, based on investigations of species with well established phylogeny, are reviewed. From the relatively few such investigations, it is already clear that GSL profiles are regularly subject to evolution. This result is compatible with natural selection for specific GSL side chains. The probable existence of structure-specific GSL catabolism in intact plants suggests

Review of natural fiber composites

NASA Astrophysics Data System (ADS)

Rohan, T.; Tushar, B.; T, Mahesha G.

2018-02-01

Development of new alternative materials to the existing traditional metals, alloys and synthetic materials is the new buzz in recent research activities at the academic and industrial level taking place all over the world. Earning carbon credits by minimizing the atmospheric pollution is getting an increase in attention by industries. One small step to conserve the atmosphere around us is to use natural resources in making fully bio degradable or partially bio degradable composite materials. Such prepared alternative materials can find applications in interior housing, automotive, marine, domestic, and other applications. Composites made by using appropriate natural fibers as reinforcements is a possibility that ensures such a reality as they can be well received in multiple disciplines of engineering. Results published from various research activities illustrates that natural fiber composites can successfully be adapted for non-structural, moderate load bearing indoor applications. Further, the few deficiencies in the natural fibers can be overcome by subjecting them to morphological changes by various physical or chemical treatment methods. The overall objective of this paper is to provide a comprehensive overview of the property profiles of Natural Fiber Composites.

Genome mining for ribosomally synthesized natural products.

PubMed

Velásquez, Juan E; van der Donk, Wilfred A

2011-02-01

In recent years, the number of known peptide natural products that are synthesized via the ribosomal pathway has rapidly grown. Taking advantage of sequence homology among genes encoding precursor peptides or biosynthetic proteins, in silico mining of genomes combined with molecular biology approaches has guided the discovery of a large number of new ribosomal natural products, including lantipeptides, cyanobactins, linear thiazole/oxazole-containing peptides, microviridins, lasso peptides, amatoxins, cyclotides, and conopeptides. In this review, we describe the strategies used for the identification of these ribosomally synthesized and posttranslationally modified peptides (RiPPs) and the structures of newly identified compounds. The increasing number of chemical entities and their remarkable structural and functional diversity may lead to novel pharmaceutical applications. Copyright © 2010 Elsevier Ltd. All rights reserved.

Genome Mining for Ribosomally Synthesized Natural Products

PubMed Central

Velásquez, Juan E.; van der Donk, Wilfred

2011-01-01

In recent years, the number of known peptide natural products that are synthesized via the ribosomal pathway has rapidly grown. Taking advantage of sequence homology among genes encoding precursor peptides or biosynthetic proteins, in silico mining of genomes combined with molecular biology approaches has guided the discovery of a large number of new ribosomal natural products, including lantipeptides, cyanobactins, linear thiazole/oxazole-containing peptides, microviridins, lasso peptides, amatoxins, cyclotides, and conopeptides. In this review, we describe the strategies used for the identification of these ribosomally-synthesized and posttranslationally modified peptides (RiPPs) and the structures of newly identified compounds. The increasing number of chemical entities and their remarkable structural and functional diversity may lead to novel pharmaceutical applications. PMID:21095156

Insights into structure and activity of natural compound inhibitors of pneumolysin

PubMed Central

Li, Hongen; Zhao, Xiaoran; Deng, Xuming; Wang, Jianfeng; Song, Meng; Niu, Xiaodi; Peng, Liping

2017-01-01

Pneumolysin is the one of the major virulence factor of the bacterium Streptococcus pneumoniae. In previous report, it is shown that β-sitosterol, a natural compound without antimicrobial activity, is a potent antagonist of pneumolysin. Here, two new pneumolysin natural compound inhibitors, with differential activity, were discovered via haemolysis assay. To explore the key factor of the conformation for the inhibition activity, the interactions between five natural compound inhibitors with differential activity and pneumolysin were reported using molecular modelling, the potential of mean force profiles. Interestingly, it is found that incorporation of the single bond (C22-C23-C24-C25) to replace the double bond (hydrocarbon sidechain) improved the anti-haemolytic activity. In view of the molecular modelling, binding of the five inhibitors to the conserved loop region (Val372, Leu460, and Tyr461) of the cholesterol binding sites led to stable complex systems, which was consistent with the result of β-sitosterol. Owing to the single bond (C22-C23-C24-C25), campesterol and brassicasterol could form strong interactions with Val372 and show higher anti-haemolytic activity, which indicated that the single bond (C22-C23-C24-C25) in inhibitors was required for the anti-haemolytic activity. Overall, the current molecular modelling work provides a starting point for the development of rational design and higher activity pneumolysin inhibitors. PMID:28165051

Natural Compounds as Anticancer Agents Targeting DNA Topoisomerases

PubMed Central

Jain, Chetan Kumar; Majumder, Hemanta Kumar; Roychoudhury, Susanta

2017-01-01

DNA topoisomerases are important cellular enzymes found in almost all types of living cells (eukaryotic and prokaryotic). These enzymes are essential for various DNA metabolic processes e.g. replication, transcription, recombination, chromosomal decatenation etc. These enzymes are important molecular drug targets and inhibitors of these enzymes are widely used as effective anticancer and antibacterial drugs. However, topoisomerase inhibitors have some therapeutic limitations and they exert serious side effects during cancer chemotherapy. Thus, development of novel anticancer topoisomerase inhibitors is necessary for improving cancer chemotherapy. Nature serves as a repertoire of structurally and chemically diverse molecules and in the recent years many DNA topoisomerase inhibitors have been identified from natural sources. The present review discusses anticancer properties and therapeutic importance of eighteen recently identified natural topoisomerase inhibitors (from the year 2009 to 2015). Structural characteristics of these novel inhibitors provide backbones for designing and developing new anticancer drugs. PMID:28503091

"Pruning of biomolecules and natural products (PBNP)": an innovative paradigm in drug discovery.

PubMed

Bathula, Surendar Reddy; Akondi, Srirama Murthy; Mainkar, Prathama S; Chandrasekhar, Srivari

2015-06-21

The source or inspiration of many marketed drugs can be traced back to natural product research. However, the chemical structure of natural products covers a wide spectrum from very simple to complex. With more complex structures it is often desirable to simplify the molecule whilst retaining the desired biological activity. This approach seeks to identify the structural unit or pharmacophore responsible for the desired activity. Such pharmacophores have been the start point for a wide range of lead generation and optimisation programmes using techniques such as Biology Oriented Synthesis, Diversity Oriented Synthesis, Diverted Total Synthesis, and Fragment Based Drug Discovery. This review discusses the literature precedence of simplification strategies in four areas of natural product research: proteins, polysaccharides, nucleic acids, and compounds isolated from natural product extracts, and their impact on identifying therapeutic products.

Structure and function of natural sulphide-oxidizing microbial mats under dynamic input of light and chemical energy

PubMed Central

Klatt, Judith M; Meyer, Steffi; Häusler, Stefan; Macalady, Jennifer L; de Beer, Dirk; Polerecky, Lubos

2016-01-01

We studied the interaction between phototrophic and chemolithoautotrophic sulphide-oxidizing microorganisms in natural microbial mats forming in sulphidic streams. The structure of these mats varied between two end-members: one characterized by a layer dominated by large sulphur-oxidizing bacteria (SOB; mostly Beggiatoa-like) on top of a cyanobacterial layer (B/C mats) and the other with an inverted structure (C/B mats). C/B mats formed where the availability of oxygen from the water column was limited (<5 μm). Aerobic chemolithotrophic activity of the SOB depended entirely on oxygen produced locally by cyanobacteria during high light conditions. In contrast, B/C mats formed at locations where oxygen in the water column was comparatively abundant (>45 μM) and continuously present. Here SOB were independent of the photosynthetic activity of cyanobacteria and outcompeted the cyanobacteria in the uppermost layer of the mat where energy sources for both functional groups were concentrated. Outcompetition of photosynthetic microbes in the presence of light was facilitated by the decoupling of aerobic chemolithotrophy and oxygenic phototrophy. Remarkably, the B/C mats conserved much less energy than the C/B mats, although similar amounts of light and chemical energy were available. Thus ecosystems do not necessarily develop towards optimal energy usage. Our data suggest that, when two independent sources of energy are available, the structure and activity of microbial communities is primarily determined by the continuous rather than the intermittent energy source, even if the time-integrated energy flux of the intermittent energy source is greater. PMID:26405833

Database for Rapid Dereplication of Known Natural Products Using Data from MS and Fast NMR Experiments.

PubMed

Zani, Carlos L; Carroll, Anthony R

2017-06-23

The discovery of novel and/or new bioactive natural products from biota sources is often confounded by the reisolation of known natural products. Dereplication strategies that involve the analysis of NMR and MS spectroscopic data to infer structural features present in purified natural products in combination with database searches of these substructures provide an efficient method to rapidly identify known natural products. Unfortunately this strategy has been hampered by the lack of publically available and comprehensive natural product databases and open source cheminformatics tools. A new platform, DEREP-NP, has been developed to help solve this problem. DEREP-NP uses the open source cheminformatics program DataWarrior to generate a database containing counts of 65 structural fragments present in 229 358 natural product structures derived from plants, animals, and microorganisms, published before 2013 and freely available in the nonproprietary Universal Natural Products Database (UNPD). By counting the number of times one or more of these structural features occurs in an unknown compound, as deduced from the analysis of its NMR ( 1 H, HSQC, and/or HMBC) and/or MS data, matching structures carrying the same numeric combination of searched structural features can be retrieved from the database. Confirmation that the matching structure is the same compound can then be verified through literature comparison of spectroscopic data. This methodology can be applied to both purified natural products and fractions containing a small number of individual compounds that are often generated as screening libraries. The utility of DEREP-NP has been verified through the analysis of spectra derived from compounds (and fractions containing two or three compounds) isolated from plant, marine invertebrate, and fungal sources. DEREP-NP is freely available at https://github.com/clzani/DEREP-NP and will help to streamline the natural product discovery process.

NCI Program for Natural Product Discovery: A Publicly-Accessible Library of Natural Product Fractions for High-Throughput Screening.

PubMed

Thornburg, Christopher C; Britt, John R; Evans, Jason R; Akee, Rhone K; Whitt, James A; Trinh, Spencer K; Harris, Matthew J; Thompson, Jerell R; Ewing, Teresa L; Shipley, Suzanne M; Grothaus, Paul G; Newman, David J; Schneider, Joel P; Grkovic, Tanja; O'Keefe, Barry R

2018-06-13

The US National Cancer Institute's (NCI) Natural Product Repository is one of the world's largest, most diverse collections of natural products containing over 230,000 unique extracts derived from plant, marine, and microbial organisms that have been collected from biodiverse regions throughout the world. Importantly, this national resource is available to the research community for the screening of extracts and the isolation of bioactive natural products. However, despite the success of natural products in drug discovery, compatibility issues that make extracts challenging for liquid handling systems, extended timelines that complicate natural product-based drug discovery efforts and the presence of pan-assay interfering compounds have reduced enthusiasm for the high-throughput screening (HTS) of crude natural product extract libraries in targeted assay systems. To address these limitations, the NCI Program for Natural Product Discovery (NPNPD), a newly launched, national program to advance natural product discovery technologies and facilitate the discovery of structurally defined, validated lead molecules ready for translation will create a prefractionated library from over 125,000 natural product extracts with the aim of producing a publicly-accessible, HTS-amenable library of >1,000,000 fractions. This library, representing perhaps the largest accumulation of natural-product based fractions in the world, will be made available free of charge in 384-well plates for screening against all disease states in an effort to reinvigorate natural product-based drug discovery.

Structure-Activity and Lipophilicity Relationships of Selected Antibacterial Natural Flavones and Flavanones of Chilean Flora.

PubMed

Echeverría, Javier; Opazo, Julia; Mendoza, Leonora; Urzúa, Alejandro; Wilkens, Marcela

2017-04-10

In this study, we tested eight naturally-occurring flavonoids-three flavanones and five flavones-for their possible antibacterial properties against four Gram-positive and four Gram-negative bacteria. Flavonoids are known for their antimicrobial properties, and due their structural diversity; these plant-derived compounds are a good model to study potential novel antibacterial mechanisms. The lipophilicity and the interaction of antibacterial compounds with the cell membrane define the success or failure to access its target. Therefore, through the determination of partition coefficients in a non-polar/aqueous phase, lipophilicity estimation and the quantification of the antibacterial activity of different flavonoids, flavanones, and flavones, a relationship between these parameters was assessed. Active flavonoids presented diffusion coefficients between 9.4 × 10 -10 and 12.3 × 10 -10 m²/s and lipophilicity range between 2.0 to 3.3. Active flavonoids against Gram-negative bacteria showed a narrower range of lipophilicity values, compared to active flavonoids against Gram-positive bacteria, which showed a wide range of lipophilicity and cell lysis. Galangin was the most active flavonoid, whose structural features are the presence of two hydroxyl groups located strategically on ring A and the absence of polar groups on ring B. Methylation of one hydroxyl group decreases the activity in 3- O -methylgalangin, and methylation of both hydroxyl groups caused inactivation, as shown for 3,7- O -dimethylgalangin. In conclusion, the amphipathic features of flavonoids play a crucial role in the antibacterial activity. In these compounds, hydrophilic and hydrophobic moieties must be present and could be predicted by lipophilicity analysis.

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

PubMed

Petruzielo, F R; Toulouse, Julien; Umrigar, C J

2011-02-14

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.

Modulation of Temporal Precision in Thalamic Population Responses to Natural Visual Stimuli

PubMed Central

Desbordes, Gaëlle; Jin, Jianzhong; Alonso, Jose-Manuel; Stanley, Garrett B.

2010-01-01

Natural visual stimuli have highly structured spatial and temporal properties which influence the way visual information is encoded in the visual pathway. In response to natural scene stimuli, neurons in the lateral geniculate nucleus (LGN) are temporally precise – on a time scale of 10–25 ms – both within single cells and across cells within a population. This time scale, established by non stimulus-driven elements of neuronal firing, is significantly shorter than that of natural scenes, yet is critical for the neural representation of the spatial and temporal structure of the scene. Here, a generalized linear model (GLM) that combines stimulus-driven elements with spike-history dependence associated with intrinsic cellular dynamics is shown to predict the fine timing precision of LGN responses to natural scene stimuli, the corresponding correlation structure across nearby neurons in the population, and the continuous modulation of spike timing precision and latency across neurons. A single model captured the experimentally observed neural response, across different levels of contrasts and different classes of visual stimuli, through interactions between the stimulus correlation structure and the nonlinearity in spike generation and spike history dependence. Given the sensitivity of the thalamocortical synapse to closely timed spikes and the importance of fine timing precision for the faithful representation of natural scenes, the modulation of thalamic population timing over these time scales is likely important for cortical representations of the dynamic natural visual environment. PMID:21151356

Natural products as an inspiration in the diversity-oriented synthesis of bioactive compound libraries

PubMed Central

Cordier, Christopher; Morton, Daniel; Murrison, Sarah; O'Leary-Steele, Catherine

2008-01-01

The purpose of diversity-oriented synthesis is to drive the discovery of small molecules with previously unknown biological functions. Natural products necessarily populate biologically relevant chemical space, since they bind both their biosynthetic enzymes and their target macromolecules. Natural product families are, therefore, libraries of pre-validated, functionally diverse structures in which individual compounds selectively modulate unrelated macromolecular targets. This review describes examples of diversity-oriented syntheses which have, to some extent, been inspired by the structures of natural products. Particular emphasis is placed on innovations that allow the synthesis of compound libraries that, like natural products, are skeletally diverse. Mimicking the broad structural features of natural products may allow the discovery of compounds that modulate the functions of macromolecules for which ligands are not known. The ability of innovations in diversity-oriented synthesis to deliver such compounds is critically assessed. PMID:18663392

Recreational drug discovery: natural products as lead structures for the synthesis of smart drugs.

PubMed

Appendino, Giovanni; Minassi, Alberto; Taglialatela-Scafati, Orazio

2014-07-01

Covering: up to December 2013. Over the past decade, there has been a growing transition in recreational drugs from natural materials (marijuana, hashish, opium), natural products (morphine, cocaine), or their simple derivatives (heroin), to synthetic agents more potent than their natural prototypes, which are sometimes less harmful in the short term, or that combine properties from different classes of recreational prototypes. These agents have been named smart drugs, and have become popular both for personal consumption and for collective intoxication at rave parties. The reasons for this transition are varied, but are mainly regulatory and commercial. New analogues of known illegal intoxicants are invisible to most forensic detection techniques, while the alleged natural status and the lack of avert acute toxicity make them appealing to a wide range of users. On the other hand, the advent of the internet has made possible the quick dispersal of information among users and the on-line purchase of these agents and/or the precursors for their synthesis. Unlike their natural products chemotypes (ephedrine, mescaline, cathinone, psilocybin, THC), most new drugs of abuse are largely unfamiliar to the organic chemistry community as well as to health care providers. To raise awareness of the growing plague of smart drugs we have surveyed, in a medicinal chemistry fashion, their development from natural products leads, their current methods of production, and the role that clandestine home laboratories and underground chemists have played in the surge of popularity of these drugs.

Novel Natural Convection Heat Sink Design Concepts From First Principles

DTIC Science & Technology

2016-06-01

NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited NOVEL NATURAL ...COVERED Master’s Thesis 4. TITLE AND SUBTITLE NOVEL NATURAL CONVECTION HEAT SINK DESIGN CONCEPTS FROM FIRST PRINCIPLES 5. FUNDING NUMBERS 6...geometric structures that incorporate the principles of the stack effect to improve the heat transfer capability of a heat sink under natural convection

Natural language generation of surgical procedures.

PubMed

Wagner, J C; Rogers, J E; Baud, R H; Scherrer, J R

1999-01-01

A number of compositional Medical Concept Representation systems are being developed. Although these provide for a detailed conceptual representation of the underlying information, they have to be translated back to natural language for used by end-users and applications. The GALEN programme has been developing one such representation and we report here on a tool developed to generate natural language phrases from the GALEN conceptual representations. This tool can be adapted to different source modelling schemes and to different destination languages or sublanguages of a domain. It is based on a multilingual approach to natural language generation, realised through a clean separation of the domain model from the linguistic model and their link by well defined structures. Specific knowledge structures and operations have been developed for bridging between the modelling 'style' of the conceptual representation and natural language. Using the example of the scheme developed for modelling surgical operative procedures within the GALEN-IN-USE project, we show how the generator is adapted to such a scheme. The basic characteristics of the surgical procedures scheme are presented together with the basic principles of the generation tool. Using worked examples, we discuss the transformation operations which change the initial source representation into a form which can more directly be translated to a given natural language. In particular, the linguistic knowledge which has to be introduced--such as definitions of concepts and relationships is described. We explain the overall generator strategy and how particular transformation operations are triggered by language-dependent and conceptual parameters. Results are shown for generated French phrases corresponding to surgical procedures from the urology domain.

Shell structure of natural rubber particles: evidence of chemical stratification by electrokinetics and cryo-TEM.

PubMed

Rochette, Christophe N; Crassous, Jérôme J; Drechsler, Markus; Gaboriaud, Fabien; Eloy, Marie; de Gaudemaris, Benoît; Duval, Jérôme F L

2013-11-26

The interfacial structure of natural rubber (NR) colloids is investigated by means of cryogenic transmission electron microscopy (cryo-TEM) and electrokinetics over a broad range of KNO3 electrolyte concentrations (4-300 mM) and pH values (1-8). The asymptotic plateau value reached by NR electrophoretic mobility (μ) in the thin double layer limit supports the presence of a soft (ion- and water-permeable) polyelectrolytic type of layer located at the periphery of the NR particles. This property is confirmed by the analysis of the electron density profile obtained from cryo-TEM that evidences a ∼2-4 nm thick corona surrounding the NR polyisoprene core. The dependence of μ on pH and salt concentration is further marked by a dramatic decrease of the point of zero electrophoretic mobility (PZM) from 3.6 to 0.8 with increasing electrolyte concentration in the range 4-300 mM. Using a recent theory for electrohydrodynamics of soft multilayered particles, this "anomalous" dependence of the PZM on electrolyte concentration is shown to be consistent with a radial organization of anionic and cationic groups across the peripheral NR structure. The NR electrokinetic response in the pH range 1-8 is indeed found to be equivalent to that of particles surrounded by a positively charged ∼3.5 nm thick layer (mean dissociation pK ∼ 4.2) supporting a thin and negatively charged outermost layer (0.6 nm in thickness, pK ∼ 0.7). Altogether, the strong dependence of the PZM on electrolyte concentration suggests that the electrostatic properties of the outer peripheral region of the NR shell are mediated by lipidic residues protruding from a shell containing a significant amount of protein-like charges. This proposed NR shell interfacial structure questions previously reported NR representations according to which the shell consists of either a fully mixed lipid-protein layer, or a layer of phospholipids residing exclusively beneath an outer proteic film.

[Fine stereo structure for natural organic molecules, a preliminary study. II. Melting point influenced by structure factors].

PubMed

Lu, Y; Zheng, Q; Lu, D; Ma, P; Chen, Y

1995-06-01

Crystal structures of two compounds from Tripterygium wilfordii Hook f. have been determined by X-ray diffraction method. Structure factors influencing melting point of solid state have been analysed. Crystal class (or space group), recrystallization solvent, force between molecules and fine changes of molecular structures will all cause melting point changes of crystal substance.

Structure of the Human Activating Natural Cytotoxicity Receptor NKp30 Bound to its Tumor Cell Ligand B7-H6

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

Y Li; Q Wang; R Mariuzza

2011-12-31

Natural killer (NK) cells are lymphocytes of the innate immune system that participate in the elimination of tumor cells. In humans, the activating natural cytotoxicity receptors (NCRs) NKp30, NKp44, and NKp46 play a major role in NK cell-mediated tumor cell lysis. NKp30 recognizes B7-H6, a member of the B7 family which is expressed on tumor, but not healthy, cells. To understand the basis for tumor surveillance by NCRs, we determined the structure of NKp30, a member of the CD28 family which includes CTLA-4 and PD-1, in complex with B7-H6. The overall organization of the NKp30-B7-H6-activating complex differs considerably from thosemore » of the CTLA-4-B7 and PD-1-PD-L T cell inhibitory complexes. Whereas CTLA-4 and PD-1 use only the front {beta}-sheet of their Ig-like domain to bind ligands, NKp30 uses both front and back {beta}-sheets, resulting in engagement of B7-H6 via the side, as well as face, of the {beta}-sandwich. Moreover, B7-H6 contacts NKp30 through the complementarity-determining region (CDR) - like loops of its V-like domain in an antibody-like interaction that is not observed for B7 or PD-L. This first structure of an NCR bound to ligand provides a template for designing molecules to stimulate NKp30-mediated cytolytic activity for tumor immunotherapy.« less

Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking.

PubMed

Jayaseelan, Kalai Vanii; Steinbeck, Christoph

2014-07-05

In metabolomics experiments, spectral fingerprints of metabolites with no known structural identity are detected routinely. Computer-assisted structure elucidation (CASE) has been used to determine the structural identities of unknown compounds. It is generally accepted that a single 1D NMR spectrum or mass spectrum is usually not sufficient to establish the identity of a hitherto unknown compound. When a suite of spectra from 1D and 2D NMR experiments supplemented with a molecular formula are available, the successful elucidation of the chemical structure for candidates with up to 30 heavy atoms has been reported previously by one of the authors. In high-throughput metabolomics, usually 1D NMR or mass spectrometry experiments alone are conducted for rapid analysis of samples. This method subsequently requires that the spectral patterns are analyzed automatically to quickly identify known and unknown structures. In this study, we investigated whether additional existing knowledge, such as the fact that the unknown compound is a natural product, can be used to improve the ranking of the correct structure in the result list after the structure elucidation process. To identify unknowns using as little spectroscopic information as possible, we implemented an evolutionary algorithm-based CASE mechanism to elucidate candidates in a fully automated fashion, with input of the molecular formula and 13C NMR spectrum of the isolated compound. We also tested how filters like natural product-likeness, a measure that calculates the similarity of the compounds to known natural product space, might enhance the performance and quality of the structure elucidation. The evolutionary algorithm is implemented within the SENECA package for CASE reported previously, and is available for free download under artistic license at http://sourceforge.net/projects/seneca/. The natural product-likeness calculator is incorporated as a plugin within SENECA and is available as a GUI client and

Natural Disasters and Human Behavior: Explanation, Research and Models.

ERIC Educational Resources Information Center

Glenn, Christopher

1979-01-01

A survey of published research determined that individual and group reactions to natural disasters differ greatly and depend partially on the predisaster personality. Four models are examined to explain individual and group reactions to natural disasters. A conglomerate model and a possible structure to future disaster research are offered.…