Correlation of thermodynamic properties of chloromethanes

A correlation for entropy and enthalpy based on the two-parameter law of corresponding states and the reference substance concept has been obtained. For 199 points tested, the over-all average absolute deviation and the maximum deviations in the calculated values of entropy with the available data are 0.74 and 7.20%. The corresponding deviations of enthalpy are 1.86 and 15.0%, respectively. A compressibility chart for chloromethanes has been made and shown to be superior to existing charts. For 102 points tested, the average absolute and maximum deviations in the compressibilities were 1.80 and 19.5%, respectively.

Potential functions for hydrogen bond interactions - III. Empirical Potential Function for the Peptide N-H...O=C Hydrogen Bond

A careful comparison of the distribution in the (R, θ)-plane of all NH ... O hydrogen bonds with that for bonds between neutral NH and neutral C=O groups indicated that the latter has a larger mean R and a wider range of θ and that the distribution was also broader than for the average case. Therefore, the potential function developed earlier for an average NH ... O hydrogen bond was modified to suit the peptide case. A three-parameter expression of the form {Mathematical expression}, with △ = R - Rmin, was found to be satisfactory. By comparing the theoretically expected distribution in R and θ with observed data (although limited), the best values were found to be p1 = 25, p3 = - 2 and q1 = 1 × 10-3, with Rmin = 2·95 Å and Vmin = - 4·5 kcal/mole. The procedure for obtaining a smooth transition from Vhb to the non-bonded potential Vnb for large R and θ is described, along with a flow chart useful for programming the formulae. Calculated values of ΔH, the enthalpy of formation of the hydrogen bond, using this function are in reasonable agreement with observation. When the atoms involved in the hydrogen bond occur in a five-membered ring as in the sequence[Figure not available: see fulltext.] a different formula for the potential function is needed, which is of the form Vhb = Vmin +p1△2 +q1x2 where x = θ - 50° for θ ≥ 50°, with p1 = 15, q1 = 0·002, Rmin = 2· Å and Vmin = - 2·5 kcal/mole. © 1971 Indian Academy of Sciences.

Confinement-deconfinement transition and spin correlations in a generalized Kitaev model

We present a spin model, namely, the Kitaev model augmented by a loop term and perturbed by an Ising Hamiltonian, and show that it exhibits both confinement-deconfinement transitions from spin liquid to antiferromagnetic/spin-chain/ferromagnetic phases and topological quantum phase transitions between gapped and gapless spin-liquid phases. We develop a fermionic resonating-valence-bonds (RVB) mean-field theory to chart out the phase diagram of the model and estimate the stability of its spin-liquid phases, which might be relevant for attempts to realize the model in optical lattices and other spin systems. We present an analytical mean-field theory to study the confinement-deconfinement transition for large coefficient of the loop term and show that this transition is first order within such mean-field analysis in this limit. We also conjecture that in some other regimes, the confinement-deconfinement transitions in the model, predicted to be first order within the mean-field theory, may become second order via a defect condensation mechanism. Finally, we present a general classification of the perturbations to the Kitaev model on the basis of their effect on it's spin correlation functions and derive a necessary and sufficient condition, within the regime of validity of perturbation theory, for the spin correlators to exhibit a long-ranged power-law behavior in the presence of such perturbations. Our results reproduce those of Tikhonov et al. [Phys. Rev. Lett. 106, 067203 (2011)] as a special case.

The R-x, R2-x Planes; Some New Ideas for the Study of Nonlinear Systems

Use of some new planes such as the R-x, R2-x (where R represents in the n-dimensional phase space, the radius vector from the origin to any point on the trajectory described by the system) is suggested for analysis of nonlinear systems of any kind. The stability conditions in these planes are given. For easy understanding of the method, the transformation from the phase plane to the R-x, R2-x planes is brought out for second-order systems. In general, while these planes serve as useful as the phase plane, they have proved to be simpler in determining quickly the general behavior of certain classes of second-order nonlinear systems. A chart and a simple formula are suggested to evaluate time easily from the R-x and R2-x trajectories, respectively. A means of solving higher-order nonlinear systems is also illustrated. Finally, a comparative study of the trajectories near singular points on the phase plane and on the new planes is made.

Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics

Three pi-electron rich fluorescent supramolecular polymers (1-3) have been synthesized incorporating 2-methyl-3-butyn-2-ol groups in reasonable yield by employing Sonagashira coupling. They were characterized by multinuclear NMR (H-1, C-13), ESI-MS and single crystal X-ray diffraction analyses 1 = 1( 2-methyl-3-butyn-2-ol) pyrene; 2 = 9,10-bis(2-methyl-3-butyn-2-ol) anthracene; 3 = 1,3,6,8-tetrakis(2methyl- 3-butyn-2-ol) pyrene]. Single crystal structures of 1-3 indicated that the incorporation of hydroxy (-OH) groups on the peripheral of the fluorophores helps them to self-associate into an infinite supramolecular polymeric network via intermolecular hydrogen bonding interactions between the adjacent discrete fluorophore units. All these compounds showed fluorescence characteristics in chloroform solution due to the extended pi-conjugation and were used as selective fluorescent sensors for the detection of electron deficient nitroaromatics. The changes in photophysical properties of fluorophores (1-3) upon complex formation with electron deficient nitroaromatic explosives were studied in chloroform solution by using fluorescence spectroscopy. All these fluorophores showed the largest quenching response with moderate selectivity for nitroaromatics over various other electron deficient/ rich aromatic compounds tested (Chart 1). Analysis of the fluorescence titration profile of 9,10-bis(2-methyl-3butyn- 2-ol) anthracene fluorophore (2) with 1,3,5-trinitrotoluene/ 2,4-dinitrotoluene provided evidence that this particular fluorophore detects nitroaromatics in the nanomolar range 2.0 ppb for TNT, 13.7 ppb for DNT]. Moreover, sharp visual color change was observed upon mixing nitroaromatic (DNT) with fluorophores (1-3) both in solution as well as in solid phase. Furthermore, the vapor-phase sensing study of thin film of fluorophores (1-3) showed efficient quenching responses for DNT and this sensing process is reproducible. Selective fluorescence quenching response including a sharp visual color change for nitroaromatics make these tested fluorophores (1-3) as potential sensors for nitroaromatic compounds with a detection limit of ppb level.

Sea-level changes and its impact on coastal archaeological monuments: seven pagodas of Mahabalipuram, a case study

The name `Seven Pagodas' has served as a nickname for the south Indian port of Mahabalipuram since the early European explorers used it as landmark for navigation as they could see summits of seven temples from the sea. There are many theories concerning the name Seven Pagodas. The present study has compared coastline and adjacent seven monuments illustrated in a 17th century Portolan Chart (maritime map) with recent remote sensing data. This analysis throws new light on the name ``Seven Pagodas'' for the city. This study has used DEM of the site to simulate the coastline which is similar to the one depicted in the old portolan chart. Through this, the then sea level and corresponding flooding extent according to topography of the area and their effect on monuments could be analyzed. Most importantly this work has in the process identified possibly the seven monuments that constituted the name Seven Pagodas and this provides an alternative explanation to one of the mysteries of history. This work has demonstrated unique method of studying coastal archaeological sites. As large numbers of heritage sites around the world are on coastlines, this methodology has potential to be very useful for coastal heritage preservation and management.

Majorana edge modes in the Kitaev model

We study the Majorana modes, both equilibrium and Floquet, which can appear at the edges of the Kitaev model on the honeycomb lattice. We first present the analytical solutions known for the equilibrium Majorana edge modes for both zigzag and armchair edges of a semi-infinite Kitaev model and chart the parameter regimes in which they appear. We then examine how edge modes can be generated if the Kitaev coupling on the bonds perpendicular to the edge is varied periodically in time as periodic delta-function kicks. We derive a general condition for the appearance and disappearance of the Floquet edge modes as a function of the drive frequency for a generic d-dimensional integrable system. We confirm this general condition for the Kitaev model with a finite width by mapping it to a one-dimensional model. Our numerical and analytical study of this problem shows that Floquet Majorana modes can appear on some edges in the kicked system even when the corresponding equilibrium Hamiltonian has no Majorana mode solutions on those edges. We support our analytical studies by numerics for a finite sized system which show that periodic kicks can generate modes at the edges and the corners of the lattice.

Impacts of modern transitions on thermal comfort in vernacular dwellings in warm-humid climate of Sugganahalli (India)

Sugganahalli, a rural vernacular community in a warm-humid region in South India, is under transition towards adopting modern construction practices. Vernacular local building elements like rubble walls and mud roofs are given way to burnt brick walls and reinforced cement concrete (RCC)/tin roofs. Over 60% of Indian population is rural, and implications of such transitions on thermal comfort and energy in buildings are crucial to understand. Vernacular architecture evolves adopting local resources in response to the local climate adopting passive solar designs. This paper investigates the effectiveness of passive solar elements on the indoor thermal comfort by adopting modern climate-responsive design strategies. Dynamic simulation models validated by measured data have also been adopted to determine the impact of the transition from vernacular to modern material-configurations. Age-old traditional design considerations were found to concur with modern understanding into bio-climatic response and climate-responsiveness. Modern transitions were found to increase the average indoor temperatures in excess of 7 degrees C. Such transformations tend to shift the indoor conditions to a psychrometric zone that is likely to require active air-conditioning. Also, the surveyed thermal sensation votes were found to lie outside the extended thermal comfort boundary for hot developing countries provided by Givoni in the bio-climatic chart.

Channel Hardening-Exploiting Message Passing (CHEMP) Receiver in Large-Scale MIMO Systems

In this paper, we propose a multiple-input multiple-output (MIMO) receiver algorithm that exploits channel hardening that occurs in large MIMO channels. Channel hardening refers to the phenomenon where the off-diagonal terms of the matrix become increasingly weaker compared to the diagonal terms as the size of the channel gain matrix increases. Specifically, we propose a message passing detection (MPD) algorithm which works with the real-valued matched filtered received vector (whose signal term becomes, where is the transmitted vector), and uses a Gaussian approximation on the off-diagonal terms of the matrix. We also propose a simple estimation scheme which directly obtains an estimate of (instead of an estimate of), which is used as an effective channel estimate in the MPD algorithm. We refer to this receiver as the channel hardening-exploiting message passing (CHEMP) receiver. The proposed CHEMP receiver achieves very good performance in large-scaleMIMO systems (e.g., in systems with 16 to 128 uplink users and 128 base station antennas). For the considered large MIMO settings, the complexity of the proposed MPD algorithm is almost the same as or less than that of the minimum mean square error (MMSE) detection. This is because the MPD algorithm does not need a matrix inversion. It also achieves a significantly better performance compared to MMSE and other message passing detection algorithms using MMSE estimate of. Further, we design optimized irregular low density parity check (LDPC) codes specific to the considered large MIMO channel and the CHEMP receiver through EXIT chart matching. The LDPC codes thus obtained achieve improved coded bit error rate performance compared to off-the-shelf irregular LDPC codes.

Improved Analysis Method for Wave-Induced Pipeline Stability on Sandy Seabed

The existing Det Norske Veritas DNV Recommended Practice RP E305 for pipeline on-bottom stability is mainly based on the pipe–soil interaction model reported by Wagner et al. in 1987, and the wake model reported by Lambrakos et al. in 1987, to calculate the soil resistance and the hydrodynamic forces upon pipeline, respectively. Unlike the methods in the DNV Practice, in this paper, an improved analysis method is proposed for the on-bottom stability of a submarine pipeline, which is based on the relationships between Um/ gD 0.5 and Ws / D2 for various restraint conditions obtained by the hydrodynamic loading experiments, taking into account the coupling effects between wave, pipeline, and sandy seabed. The analysis procedure is illustrated with a detailed flow chart. A comparison is made between the submerged weights of pipeline predicted with the DNV Practice and those with the new method. The proposed analysis method may provide a helpful tool for the engineering practice of pipeline on-bottom stability design.

Moralidad, ética y ciencias

El panorama científico contemporáneo se nos manifiesta con una pronunciada asepsia con respecto a toda relación axiológica y una carencia notable de regulación ético-normativa, preocupando, en especial, el funcionamiento de las ciencias que tienen al hombre, directa o indirectamente, como sujeto de tratamiento. Una vez más, como en las épocas más puras de mecanicismo científico, el dato sensible, la reducción matemática (o lógico-matemática) y la expresión sólo teórica del pensamiento, se presentan como ingredientes necesarios y suficientes para alcanzar la verdad y la certeza. En este contexto, tanto a la Ética como a la Filosofía Moral le significa un gran esfuerzo obtener un lugar y ostentar alguna función propiamente científica en el cuadro de los saberes, hasta el extremo de sufrir el desprestigio o acusaciones de ilegitimidad, con la lógica consecuencia de no poder brindar bases sólidas a un ethos del científico, es decir, al proceder moralmente digno en la vida del científico.

Broughton Archipelago Clam Terrace Survey : final report

During a 1995 aerial video survey of the coastline of Johnstone Strait, an unusual shoreline feature was noted and termed “clam terraces” (inset) because of the terrace-type morphology and the apparent association with high clam productivity on the sandflats. Typical alongshore lengths of the terrace ridges are 20-50m, and across-shore widths are typically 20-40m. An area with an especially high density of clam terraces was noted in the Broughton Archipelago, between Broughton and Gilford Islands of southeastern Queen Charlotte Strait. Clam terraces in this area were inventoried from the aerial video imagery to quantify their distribution. The terraces accounted for over 14 km of shoreline and 365 clam terraces were documented. A three-day field survey by a coastal geomorphologist, archeologist and marine biologist was conducted to document the features and determine their origin. Nine clam terraces were surveyed. The field observations confirmed that: the ridges are comprised of boulder/cobblesized material, ridge crests are typically in the range of 1-1.5m above chart datum, sandflats are comprised almost entirely of shell fragments (barnacles and clams) and sandflats have very high shellfish production. There are an abundance of shell middens in the area (over 175) suggesting that the shellfish associated with the terraces were an important food source of aboriginal peoples. The origin of the ridges is unknown; they appear to be a relict feature in that they are not actively being modified by present-day processes. The ridges may be a relict sea-ice feature, although the mechanics of ridge formation is uncertain. Sand accumulates behind the ridge because the supply rate of the shell fragments exceeds the dispersal rate in these low energy environments. The high density areas of clam terraces correspond to high density areas of shell middens, and it is probable that the clam terraces were subjected to some degree of modification by aboriginal shellfish gatherers over the thousands of years of occupation in the region. (Document contains 39 pages)

Charting multidisciplinary research and action priorities towards the conservation and sustainable management of sea turtles in the Pacific Ocean: a focus on Malaysia

The four sea turtle species found in Malaysia are the leatherback, olive ridley, green and hawksbill. The threats to these species are acute. Populations of leatherback, olive ridley and hawksbill turtles are on the brink of collapse – threatening a biodiversity crisis in Malaysia and the region. This proceedings contains 8 technical papers presented at a workshop convened in Kijal, Terengganu to chart new directions in the conservation of Malaysia's critically endangered sea turtles and to reverse population decline. They represent a wide range of issues from aspects of biology to a review of 40 years of sea turtle conservation. A paper on the socioeconomic linkages and impacts of fisheries was also included as the workshop adopted a multidisciplinary approach to address the issues. Two case studies, including successful restoration examples from international experiences and restoration efforts in Sabah, pave the way for enhancing turtle conservation in the country.

Nonlinear Dynamic Responses of the Tensioned Tether under Parametric Excitations

The nonlinear dynamic responses of the tensioned tether subjected to combined surge and heave motions of floating platform are investigated using 2-D nonlinear beam model. It is shown that if the transverse-axial coupling of nonlinear beam model and the combined surge-heave motions of platform are considered, the governing equation is not Mathieu equation any more, it becomes nonlinear Hill equation. The Hill stability chart is obtained by using the Hill's infinite determinant and harmonic balance method. A parameter M, which is the function of tether length, the surge and heave amplitude of platform, is defined. The Hill stability chart is obviously different from Mathieu stability chart which is the specific case as M=0. Some case studies are performed by employing linear and nonlinear beam model respectively. It can be found that the results differences between nonlinear and linear model are apparent.

Establishing National Ocean Service Priorities for Estuarine, Coastal, and Ocean Modeling: Capabilities, Gaps, and Preliminary Prioritization Factors

This report was developed to help establish National Ocean Service priorities and chart new directions for research and development of models for estuarine, coastal and ocean ecosystems based on user-driven requirements and supportive of sound coastal management, stewardship, and an ecosystem approach to management. (PDF contains 63 pages)