Molecular Marriage through Partner Preferences in Covalent Cage Formation and Cage-to-Cage Transformation

Unprecedented self-sorting of three-dimensional purely organic cages driven by dynamic covalent bonds is described. Four different cages were first synthesized by condensation of two triamines and two dialdehydes separately. When a mixture of all the components was allowed to react, only two cages were formed, which suggests a high-fidelity self-recognition. The issue of the preference of one triamine for a particular dialdehyde was further probed by transforming a non-preferred combination to either of the two preferred combinations by reacting it with the appropriate triamine or dialdehyde.

Prediction of Ground Water Levels in the Uplands of a Tropical Coastal Riparian Wetland using Artificial Neural Networks

Artificial Neural Networks (ANNs) have been found to be a robust tool to model many non-linear hydrological processes. The present study aims at evaluating the performance of ANN in simulating and predicting ground water levels in the uplands of a tropical coastal riparian wetland. The study involves comparison of two network architectures, Feed Forward Neural Network (FFNN) and Recurrent Neural Network (RNN) trained under five algorithms namely Levenberg Marquardt algorithm, Resilient Back propagation algorithm, BFGS Quasi Newton algorithm, Scaled Conjugate Gradient algorithm, and Fletcher Reeves Conjugate Gradient algorithm by simulating the water levels in a well in the study area. The study is analyzed in two cases-one with four inputs to the networks and two with eight inputs to the networks. The two networks-five algorithms in both the cases are compared to determine the best performing combination that could simulate and predict the process satisfactorily. Ad Hoc (Trial and Error) method is followed in optimizing network structure in all cases. On the whole, it is noticed from the results that the Artificial Neural Networks have simulated and predicted the water levels in the well with fair accuracy. This is evident from low values of Normalized Root Mean Square Error and Relative Root Mean Square Error and high values of Nash-Sutcliffe Efficiency Index and Correlation Coefficient (which are taken as the performance measures to calibrate the networks) calculated after the analysis. On comparison of ground water levels predicted with those at the observation well, FFNN trained with Fletcher Reeves Conjugate Gradient algorithm taken four inputs has outperformed all other combinations.

Soil stabilization with waste materials based binder

This paper describes a laboratory trial to study the effectiveness of a waste-based binder to stabilize expansive soils. The proposed binders viz., Fly ash and/or Ground granulated Blast furnace slag (GGBS) were mixed with the expansive soil along with a small amount of lime to increase soil pH and enable pozzolanic reactions. The geotechnical characteristics of the various combinations of samples were investigated through the compaction tests, unconfined compression tests etc. It was found that the addition of GGBS with and without fly ash and lime has significant influence on the geotechnical characteristics of the soil.

Linear Coding Schemes for the Distributed Computation of Subspaces

Let X-1,..., X-m be a set of m statistically dependent sources over the common alphabet F-q, that are linearly independent when considered as functions over the sample space. We consider a distributed function computation setting in which the receiver is interested in the lossless computation of the elements of an s-dimensional subspace W spanned by the elements of the row vector X-1,..., X-m]Gamma in which the (m x s) matrix Gamma has rank s. A sequence of three increasingly refined approaches is presented, all based on linear encoders. The first approach uses a common matrix to encode all the sources and a Korner-Marton like receiver to directly compute W. The second improves upon the first by showing that it is often more efficient to compute a carefully chosen superspace U of W. The superspace is identified by showing that the joint distribution of the {X-i} induces a unique decomposition of the set of all linear combinations of the {X-i}, into a chain of subspaces identified by a normalized measure of entropy. This subspace chain also suggests a third approach, one that employs nested codes. For any joint distribution of the {X-i} and any W, the sum-rate of the nested code approach is no larger than that under the Slepian-Wolf (SW) approach. Under the SW approach, W is computed by first recovering each of the {X-i}. For a large class of joint distributions and subspaces W, the nested code approach is shown to improve upon SW. Additionally, a class of source distributions and subspaces are identified, for which the nested-code approach is sum-rate optimal.

The effect of minor addition of Ni on the microstructural evolution and mechanical properties of suction cast Al-0.14 at. pct Sc binary alloy

Aluminum scandium binary alloys represent a promising precipitation-hardening alloy system. However, the hardness of the binary alloys decreases with the rapid coarsening of Al3Sc precipitate during high-temperature aging. In the current study, we report a new approach to compensate for the loss of mechanical properties by combining rapid solidification with very small ternary addition of transition metal Ni. This addition yields dispersion, and at a critical concentration improves the mechanical properties. We explore additions of a maximum of 0.06 at. pct of Nickel to a binary Al-0.14 at. pct Sc alloy, which yield nickel-rich dispersions. We report two kinds of biphasic dispersions containing AlNi2Sc/Al9Ni2 and alpha-Al/Al9Ni2 phase combinations. The maximum improvement in mechanical properties occurs with the addition of 0.045 at. pct Ni with a yield strength of 239 +/- A 7 MPa for an aging treatment at 583 K (310 A degrees C) for 15 hours. DOI: 10.1007/s11661-013-1624-z (C) The Minerals, Metals & Materials Society and ASM International 2013

Effect of indium addition on microstructural, mechanical and oxidation properties of suction cast Nb-Si eutectic alloy

The paper reports effect of small ternary addition of In on the microstructure, mechanical property and oxidation behaviour of a near eutectic suction cast Nb-19.1 at-%Si-1.5 at-%In alloy. The observed microstructure consists of a combination of two kinds of lamellar structure. They are metal-intermetallic combinations of Nb-ss-beta-Nb5Si3 and Nb-ss-alpha-Nb5Si3 respectively having 40-60 nm lamellar spacings. The alloy gives compressive strength of 3 GPa and engineering strain of similar to 3% at room temperature. The composite structure also exhibits a large improvement in oxidation resistance at high temperature (1000 degrees C).

Bearing capacity of piles in soft clay underlaid by cohesive frictional soil

By using the axisymmetric quasi-lower bound finite-element limit analysis, the bearing capacity factors N-c(p) and N-gamma q(p) have been computed for axially loaded piles, with the shaft embedded in a fully cohesive soil medium and the tip placed over cohesive frictional soil strata. The results were obtained for various combinations of L/D, phi(l), and c(l)/c(u); the subscripts l and u refer to lower and upper soil strata, respectively. The factors N-c(p) and N-gamma q(p) increase continuously with increases in L/D and phi(l); the rate of increase of N-c(p) and N-gamma q(p) with L/D, however, decreases with an increase in L/D. For c(l)/c(u) > 100, the factor N-c(p) hardly depends on L/D.

Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study

IR spectroscopy has been widely employed to distinguish between different crystal forms such as polymorphs, clathrates, hydrates and co-crystals. IR has been used to monitor co-crystal formation and single synthon detection. In this work, we have developed a strategy to identify multiple supramolecular synthons in polymorphs and co-crystals with this technique. The identification of multiple synthons in co-crystals with IR is difficult for several reasons. In this paper, a four step method involving well assigned IR spectral markers that correspond to bonds in a synthon is used. IR spectra of three forms of the co-crystal system, 4-hydroxybenzoic acid: 4,4'-bipyridine (2 : 1), show clear differences that may be attributed to differences in the synthon combinations existing in the forms (synthon polymorphism). These differences were picked out from the three IR spectra and the bands analysed and assigned to synthons. Our method first identifies IR marker bands corresponding to (covalent) bonds in known/model crystals and then the markers are mapped in known co-crystals having single synthons. Thereafter, the IR markers are queried in known co-crystals with multiple synthons. Finally they are queried in unknown co-crystals with multiple synthons. In the last part of the study, the N-H stretching absorptions of primary amides that crystallize with the amide dimers linked in a ladder like chain show two specific absorptions which are used as marker absorptions and all variations of this band structure have been used to provide details on the environment around the dimer. The extended dimer can accordingly be easily distinguished from the isolated dimer.

Investigating proline puckering states in diproline segments in proteins

In the current study, the puckering states of the Proline ring occurring in diproline segments (LPro-LPro) in proteins has been investigated with a segregation made on the basis of cis and trans states for the Pro-Pro peptide bond and the conformational states for the diproline segment to investigate the effects of conformation of the diproline segment on the corresponding puckering state of the Proline ring in the segment if any. The value of the endocyclic ring torsional angles of the pyrrolidine ring has been used for calculating and visualizing various puckering states using a proposed new sign convention (+/-) nomenclature. The results have been compared to that obtained in a previous study on peptides from this group. In this study, quite interestingly, the Planar (G) conformation that was present in 14.3% of the cases in peptides, appears to be nearly a rare conformation in the case of proteins (1.9%). The present study indicates that the (C-exo/C-exo), (C-exo/Twisted C-exo-C-endo) and (Twisted C-endo-C-exo/Twisted C-endo-C-exo) categories are the most preferred combinations. For Proline rings in proteins, the states C-exo, Twisted C-exo-C-endo and Twisted C-endo-C-exo are the most preferred states. Within diproline segments, the pyrrolidine ring conformations do not show a strong co-relation to the backbone conformation in which they are observed. It is likely that five-membered rings have a considerable plasticity of structure and are readily deformed to accommodate a variety of energetically preferred backbone conformations.

Capacity bounds for the Gaussian X channel

We consider bounds for the capacity region of the Gaussian X channel (XC), a system consisting of two transmit-receive pairs, where each transmitter communicates with both the receivers. We first classify the XC into two classes, the strong XC and the mixed XC. In the strong XC, either the direct channels are stronger than the cross channels or vice-versa, whereas in the mixed XC, one of the direct channels is stronger than the corresponding cross channel and vice-versa. After this classification, we give outer bounds on the capacity region for each of the two classes. This is based on the idea that when one of the messages is eliminated from the XC, the rate region of the remaining three messages are enlarged. We make use of the Z channel, a system obtained by eliminating one message and its corresponding channel from the X channel, to bound the rate region of the remaining messages. The outer bound to the rate region of the remaining messages defines a subspace in R-+(4) and forms an outer bound to the capacity region of the XC. Thus, the outer bound to the capacity region of the XC is obtained as the intersection of the outer bounds to the four combinations of the rate triplets of the XC. Using these outer bounds on the capacity region of the XC, we derive new sum-rate outer bounds for both strong and mixed Gaussian XCs and compare them with those existing in literature. We show that the sum-rate outer bound for strong XC gives the sum-rate capacity in three out of the four sub-regions of the strong Gaussian XC capacity region. In case of mixed Gaussian XC, we recover the recent results in 11] which showed that the sum-rate capacity is achieved in two out of the three sub-regions of the mixed XC capacity region and give a simple alternate proof of the same.

Decode-and-forward relay beamforming for secrecy with imperfect CSI and multiple eavesdroppers

In this paper, we evaluate secrecy rates in cooperative relay beamforming in the presence of imperfect channel state information (CSI) and multiple eavesdroppers. A source-destination pair aided by.. out of.. relays, 1 <= k <= M, using decode-and-forward relay beamforming is considered. We compute the worst case secrecy rate with imperfect CSI in the presence of multiple eavesdroppers, where the number of eavesdroppers can be more than the number of relays. We solve the optimization problem for all possible relay combinations to find the secrecy rate and optimum source and relay weights subject to a total power constraint. We relax the rank-1 constraint on the complex semi-definite relay weight matrix and use S-procedure to reformulate the optimization problem that can be solved using convex semi-definite programming.

Analysis of voltage stability in multi-infeed HVDC systems with STATCOM

This paper presents the modelling and analysis of voltage stability at AC commutation bus in LCC (Line commutated converters) based multi-infeed HVDC system. The paper also presents the analysis of effects of various operating control modes in HVDC as well as location of disturbance on the voltage stability of the system under study. A new method of modelling the LCC converters as time varying admittance at the AC commutation bus is also presented in this paper. In this paper, the modelling of STATCOM for provision of dynamic voltage support at one of the AC buses of the HVDC system is presented. The reactive power injected by STATCOM is controlled by regulating the voltage of the AC bus to which STATCOM is connected. The case study also discusses the effects of various possible combinations of location of STATCOM and disturbance considered, on the voltage stability of the multi-infeed HVDC system.

Stability of a long unsupported circular tunnel in soils with seismic forces

By using the lower-bound finite element limit analysis, the stability of a long unsupported circular tunnel has been examined with an inclusion of seismic body forces. The numerical results have been presented in terms of a non-dimensional stability number (gamma H/c) which is plotted as a function of horizontal seismic earth pressure coefficient (k (h)) for different combinations of H/D and I center dot; where (1) H is the depth of the crest of the tunnel from ground surface, (2) D is the diameter of the tunnel, (3) k (h) is the earthquake acceleration coefficient and (4) gamma, c and I center dot define unit weight, cohesion and internal friction angle of soil mass, respectively. The stability numbers have been found to decrease continuously with an increase in k (h). With an inclusion of k (h), the plastic zone around the periphery of the tunnel becomes asymmetric. As compared to the results reported in the literature, the present analysis provides a little lower estimate of the stability numbers. The numerical results obtained would be useful for examining the stability of unsupported tunnel under seismic forces.

Classification, representation, and automatic extraction of deformation features in sheet metal parts

This paper presents classification, representation and extraction of deformation features in sheet-metal parts. The thickness is constant for these shape features and hence these are also referred to as constant thickness features. The deformation feature is represented as a set of faces with a characteristic arrangement among the faces. Deformation of the base-sheet or forming of material creates Bends and Walls with respect to a base-sheet or a reference plane. These are referred to as Basic Deformation Features (BDFs). Compound deformation features having two or more BDFs are defined as characteristic combinations of Bends and Walls and represented as a graph called Basic Deformation Features Graph (BDFG). The graph, therefore, represents a compound deformation feature uniquely. The characteristic arrangement of the faces and type of bends belonging to the feature decide the type and nature of the deformation feature. Algorithms have been developed to extract and identify deformation features from a CAD model of sheet-metal parts. The proposed algorithm does not require folding and unfolding of the part as intermediate steps to recognize deformation features. Representations of typical features are illustrated and results of extracting these deformation features from typical sheet metal parts are presented and discussed. (C) 2013 Elsevier Ltd. All rights reserved.

Gene Transfection in High Serum Levels: Case Studies with New Cholesterol Based Cationic Gemini Lipids

Background: Six new cationic gemini lipids based on cholesterol possessing different positional combinations of hydroxyethyl (-CH2CH2OH) and oligo-oxyethylene -(CH2CH2O)(n)- moieties were synthesized. For comparison the corresponding monomeric lipid was also prepared. Each new cationic lipid was found to form stable, clear suspensions in aqueous media. Methodology/Principal Findings: To understand the nature of the individual lipid aggregates, we have studied the aggregation properties using transmission electron microscopy (TEM), dynamic light scattering (DLS), zeta potential measurements and X-ray diffraction (XRD). We studied the lipid/DNA complex (lipoplex) formation and the release of the DNA from such lipoplexes using ethidium bromide. These gemini lipids in presence of a helper lipid, 1, 2-dioleoyl phophatidyl ethanol amine (DOPE) showed significant enhancements in the gene transfection compared to several commercially available transfection agents. Cholesterol based gemini having -CH2-CH2-OH groups at the head and one oxyethylene spacer was found to be the most effective lipid, which showed transfection activity even in presence of high serum levels (50%) greater than Effectene, one of the potent commercially available transfecting agents. Most of these geminis protected plasmid DNA remarkably against DNase I in serum, although the degree of stability was found to vary with their structural features. Conclusions/Significance: -OH groups present on the cationic headgroups in combination with oxyethylene linkers on cholesterol based geminis, gave an optimized combination of new genera of gemini lipids possessing high transfection efficiency even in presence of very high percentage of serum. This property makes them preferential transfection reagents for possible in vivo studies.