The exploration of Kemp's triacid (KTA) as the core for the synthesis of 3-fold symmetric 2(3)-cyclophane, 2(2)-cyclophane and novel linker directed designs

For the first time, two units of KTA have been linked to three units of cyst-di-OMe. The reaction is noteworthy since it involves the formation of six amide bonds leading to a three-fold symmetric 23-cyclophane (3) harboring a cluster of three S-S bridges. The major product is a di-imide (4), arising from the interaction of a cystine NH with a neighbouring activated ester. A third reaction of tethering KTA with a single cyst-di-OMe unit afforded the flexible compound 6 and, with benzidine, the novel linker directed 7 with orthogonally disposed anchor modules.

RIESZ-TRANSFORM-BASED DEMODULATION OF NARROWBAND SPECTROGRAMS OF VOICED SPEECH

Narrowband spectrograms of voiced speech can be modeled as an outcome of two-dimensional (2-D) modulation process. In this paper, we develop a demodulation algorithm to estimate the 2-D amplitude modulation (AM) and carrier of a given spectrogram patch. The demodulation algorithm is based on the Riesz transform, which is a unitary, shift-invariant operator and is obtained as a 2-D extension of the well known 1-D Hilbert transform operator. Existing methods for spectrogram demodulation rely on extension of sinusoidal demodulation method from the communications literature and require precise estimate of the 2-D carrier. On the other hand, the proposed method based on Riesz transform does not require a carrier estimate. The proposed method and the sinusoidal demodulation scheme are tested on real speech data. Experimental results show that the demodulated AM and carrier from Riesz demodulation represent the spectrogram patch more accurately compared with those obtained using the sinusoidal demodulation. The signal-to-reconstruction error ratio was found to be about 2 to 6 dB higher in case of the proposed demodulation approach.

A Seventeen-level Inverter With a Single DC-link For Motor Drives

In the present paper, a novel topology for generating a 17-level inverter using three-level flying capacitor inverter and cascaded H-bridge modules with floating capacitors. The proposed circuit is analyzed and various aspects of it are presented in the paper. This circuit is experimentally verified and the results are shown. The stability of the capacitor balancing algorithm has been verified during sudden acceleration. This circuit has many pole voltage redundancies. This circuit has an advantage of balancing all the capacitor voltages instantaneously by switching through the redundancies. Another advantage of this topology is its ability to generate all the 17 pole voltages from a single DC link which enables back to back converter operation. Also, the proposed inverter can be operated at all load power factors and modulation indices. Another advantage is, if one of the H-bridges fail, the inverter can still be operated at full load with reduced number of levels.

Binaural Signal Processing Motivated Generalized Analytic Signal Construction and AM-FM Demodulation

Binaural hearing studies show that the auditory system uses the phase-difference information in the auditory stimuli for localization of a sound source. Motivated by this finding, we present a method for demodulation of amplitude-modulated-frequency-modulated (AM-FM) signals using a ignal and its arbitrary phase-shifted version. The demodulation is achieved using two allpass filters, whose impulse responses are related through the fractional Hilbert transform (FrHT). The allpass filters are obtained by cosine-modulation of a zero-phase flat-top prototype halfband lowpass filter. The outputs of the filters are combined to construct an analytic signal (AS) from which the AM and FM are estimated. We show that, under certain assumptions on the signal and the filter structures, the AM and FM can be obtained exactly. The AM-FM calculations are based on the quasi-eigenfunction approximation. We then extend the concept to the demodulation of multicomponent signals using uniform and non-uniform cosine-modulated filterbank (FB) structures consisting of flat bandpass filters, including the uniform cosine-modulated, equivalent rectangular bandwidth (ERB), and constant-Q filterbanks. We validate the theoretical calculations by considering application on synthesized AM-FM signals and compare the performance in presence of noise with three other multiband demodulation techniques, namely, the Teager-energy-based approach, the Gabor's AS approach, and the linear transduction filter approach. We also show demodulation results for real signals.

Model for triplet state engineering in organic light emitting diodes

Engineering the position of the lowest triplet state (T-1) relative to the first excited singlet state (S-1) is of great importance in improving the efficiencies of organic light emitting diodes and organic photovoltaic cells. We have carried out model exact calculations of substituted polyene chains to understand the factors that affect the energy gap between S-1 and T-1. The factors studied are backbone dimerisation, different donor-acceptor substitutions, and twisted geometry. The largest system studied is an 18 carbon polyene which spans a Hilbert space of about 991 x 10(6). We show that for reverse intersystem crossing process, the best system involves substituting all carbon sites on one half of the polyene with donors and the other half with acceptors. (C) 2014 AIP Publishing LLC.

INDUCTION OF FOLDED STRUCTURES IN DESIGNED PEPTIDES USING CONFORMATIONALLY CONSTRAINED RESIDUES

Folding into compact globular structures, with well-defined modules of secondary structure, appears to be a characteristic of long polypeptide chains, with a specific patterning of coded amino acid residues along the length of sequence. Cooperative hydrogen bond driven secondary structure formation and solvent forces, which contribute favorably to the entropy of folding, by promoting compaction of the polymeric chain, have long been discussed as major determinants of the folding process. First principles design approaches, which use non-coded amino acids, employ an alternative structure directing strategy, by using amino acid residues which exhibit a strong conformational bias for specific regions of the Ramachandran map. This overview of ongoing studies in the authors' laboratory, attempts to explore the use of conformationally restricted amino acid residues in the design of peptides with well-defined secondary structures. Short peptides composed of 20 genetically coded amino acids usually exist in solution as an ensemble of equilibrating conformations. Apolar peptide sequences, which are readily soluble in organic solvents like chloroform and methanol, facilitate formation of structures which are predominately driven by intramolecular hydrogen bond formation. The choice of sequences containing residues with a limited range of conformational choices strongly favors formation of local turn structures, stabilized by short range intramolecular hydrogen bonds. Two residue beta-turns can nucleate either helical or hairpin folding, depending on the precise conformation of the turn segment Restriction of the conformational space available to amino acid residues is easily achieved by introduction of an additional alkyl group at the C alpha carbon atom or by side chain backbone cyclization, as in proline. Studies of synthetic sequences incorporating two prototype residues alpha-aminoisobutyric acid (Aib) and D-proline (DPro) illustrate the utility of the strategy in construction of helices and hairpins. Extensions to the design of conformationally switchable sequences and structurally defined hybrid peptides containing backbone homologated residues are also surveyed.

Exact Solution of the PPP Model for Correlated Electronic States of Tetracene and Substituted Tetracene

Tetracene is an important conjugated molecule for device applications. We have used the diagrammatic valence bond method to obtain the desired states, in a Hilbert space of about 450 million singlets and 902 million triplets. We have also studied the donor/acceptor (D/A)-substituted tetracenes with D and A groups placed symmetrically about the long axis of the molecule. In these cases, by exploiting a new symmetry, which is a combination of C-2 symmetry and electron-hole symmetry, we are able to obtain their low-lying states. In the case of substituted tetracene, we find that optically allowed one-photon excitation gaps reduce with increasing D/A strength, while the lowest singlet triplet gap is only wealdy affected. In all the systems we have studied, the excited singlet state, S-i, is at more than twice the energy of the lowest triplet state and the second triplet is very close to the S-1 state. Thus, donor-acceptor-substituted tetracene could be a good candidate in photovoltaic device application as it satisfies energy criteria for singlet fission. We have also obtained the model exact second harmonic generation (SHG) coefficients using the correction vector method, and we find that the SHG responses increase with the increase in D/A strength.

Flag structure for operators in the Cowen-Douglas class

The explicit description of homogeneous operators and localization of a Hilbert module naturally leads to the definition of a class of Cowen-Douglas operators possessing a flag structure. These operators are irreducible. We show that the flag structure is rigid in the sense that the unitary equivalence class of the operator and the flag structure determine each other. We obtain a complete set of unitary invariants which are somewhat more tractable than those of an arbitrary operator in the Cowen-Douglas class. (C) 2014 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

Solar photovoltaic assistance for LHB rail coaches

Awareness for the need of sustainable and eco-friendly mobility has been increasing and various innovations are taking place in this regard. A study was carried out to assess the feasibility of installing solar photovoltaic (PV) modules atop train coaches. Most long-distance trains having LHB coaches do not have self-generating systems, thus making power cars mandatory to supply the required power for lighting loads. Feasibility of supplementing diesel generator sets with power from solar PV modules installed on coach rooftops has been reported in this communication. Not only is there a conservation of fuel, there is also a significant reduction in CO2 emissions. This work has shown that the area available on coach rooftops is more than sufficient to generate the required power, during sunlight hours, for the electrical loads of a non-A/C coach even during winter. All calculations were done keeping a standard route as the reference. Taking the cost of diesel to be Rs 66/litre, it was estimated that there will be annual savings of Rs 5,900,000 corresponding to 90,800 litres diesel per rake per year by implementing this scheme. The installation cost of solar modules would be recovered within 2-3 years. Implementation of this scheme would also amount to an annual reduction of 239 tonnes of CO2 emissions.

A FUNCTIONAL MODEL FOR PURE Gamma-CONTRACTIONS

A pair of commuting operators (S,P) defined on a Hilbert space H for which the closed symmetrized bidisc Gamma = {(z(1) + z(2), z(1)z(2)) : vertical bar z(1)vertical bar <= 1, vertical bar z(2)vertical bar <= 1} subset of C-2 is a spectral set is called a Gamma-contraction in the literature. A Gamma-contraction (S, P) is said to be pure if P is a pure contraction, i.e., P*(n) -> 0 strongly as n -> infinity Here we construct a functional model and produce a set of unitary invariants for a pure Gamma-contraction. The key ingredient in these constructions is an operator, which is the unique solution of the operator equation S - S*P = DpXDp, where X is an element of B(D-p), and is called the fundamental operator of the Gamma-contraction (S, P). We also discuss some important properties of the fundamental operator.

Experimental Investigation on Switching Characteristics of High-Current Insulated Gate Bipolar Transistors at Low Currents

Insulated gate bipolar transistors (IGBTs) are used in high-power voltage-source converters rated up to hundreds of kilowatts or even a few megawatts. Knowledge of device switching characteristics is required for reliable design and operation of the converters. Switching characteristics are studied widely at high current levels, and corresponding data are available in datasheets. But the devices in a converter also switch low currents close to the zero crossings of the line currents. Further, the switching behaviour under these conditions could significantly influence the output waveform quality including zero crossover distortion. Hence, the switching characteristics of high-current IGBTs (300-A and 75-A IGBT modules) at low load current magnitudes are investigated experimentally in this paper. The collector current, gate-emitter voltage and collector-emitter voltage are measured at various low values of current (less than 10% of the device rated current). A specially designed in-house constructed coaxial current transformer (CCT) is used for device current measurement without increasing the loop inductance in the power circuit. Experimental results show that the device voltage rise time increases significantly during turn-off transitions at low currents.

Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different

CONSPECTUS: The halogen bond is an attractive interaction in which an electrophilic halogen atom approaches a negatively polarized species. Short halogen atom contacts in crystals have been known for around 50 years. Such contacts are found in two varieties: type I, which is symmetrical, and type II, which is bent. Both are influenced by geometric and chemical considerations. Our research group has been using halogen atom interactions as design elements in crystal engineering, for nearly 30 years. These interactions include halogen center dot center dot center dot halogen interactions (X center dot center dot center dot X) and halogen center dot center dot center dot heteroatom interactions (X center dot center dot center dot B). Many X center dot center dot center dot X and almost all X center dot center dot center dot B contacts can be classified as halogen bonds. In this Account, we illustrate examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond. We also comment on the similarities and differences between halogen bonds and hydrogen bonds. These interactions are similar because the protagonist atoms halogen and hydrogen are both electrophilic in nature. The interactions are distinctive because the size of a halogen atom is of consequence when compared with the atomic sizes of, for example, C, N, and O, unlike that of a hydrogen atom. Conclusions may be drawn pertaining to the nature of X center dot center dot center dot X interactions from the Cambridge Structural Database (CSD). There is a clear geometric and chemical distinction between type I and type II, with only type II being halogen bonds. Cl/Br isostructurality is explained based on a geometric model. In parallel, experimental studies on 3,4-dichlorophenol and its congeners shed light on the nature of halogen center dot center dot center dot halogen interactions and reveal the chemical difference between Cl and Br. Variable temperature studies also show differences between type I and type II contacts. In terms of crystal design, halogen bonds offer a unique opportunity in the strength, atom size and interaction gradation; this may be used in the design of ternary cocrystals. Structural modularity in which an entire crystal structure is defined as a combination of modules is rationalized on the basis of the intermediate strength of a halogen bond. The specific directionality of the halogen bond makes it a good tool to achieve orthogonality in molecular crystals. Mechanical properties can be tuned systematically by varying these orthogonally oriented halogen center dot center dot center dot halogen interactions. In a further development, halogen bonds are shown to play a systematic role in organization of LSAMs (long range synthon aufbau module), which are bigger structural units containing multiple synthons. With a formal definition in place, this may be the right time to look at differences between halogen bonds and hydrogen bonds and exploit them in more subtle ways in crystal engineering.

Nutritional benefits from domatia inhabitants in an ant-plant interaction: interlopers do pay the rent

1. How a symbiosis originates and is maintained are important evolutionary questions. Symbioses in myrmecophytes (plants providing nesting for ants) are believed to be maintained by protection and nutrients provided by specialist plant-ants in exchange for nesting spaces (called domatia) and nourishment offered by ant-plants. However, besides the benefits accrued from housing protective ants, the mechanisms contributing to the fitness advantages of bearing domatia have rarely been examined, especially because the domatia trait is usually constitutively expressed, and many myrmecophytes have obligate mutualisms with single ant species resulting in invariant conditions. 2. In the unspecialized ant-plant Humboldtia brunonis (Fabaceae) that offers extrafloral nectar to ants, only some plants produce domatia in the form of hollow internodes. These domatia have a self-opening slit making them more prone to interlopers and are occupied mostly by non-protective ants and other invertebrates, especially arboreal earthworms. The protection mutualism with ants is restricted in geographical extent, occurring only at a few sites in the southernmost part of this plant's range in the Western Ghats of India. 3. We examined nutrient flux from domatia residents to the plant using stable isotopes. We found that between 9% (earthworms) and 17% (protective or non-protective ants) of nitrogen of plant tissues nearest the domatium came from domatia inhabitants. Therefore, interlopers such as earthworms and non-protective ants contributed positively to the nitrogen budget of localized plant modules of this understorey tree. N-15-enriched feeding experiments with protective ants demonstrated that nutrients flowed from domatia inhabitants to nearby plant modules. Fruit set did not differ between paired hand-pollinated inflorescences on domatia and non-domatia bearing branches. This was possibly due to the nutrient flux from domatia to adjacent branches without domatia within localized modules. 4. This study has demonstrated the nutritive role of non-protective ants and non-ant invertebrates, hitherto referred to as interlopers, in an unspecialized myrmecophyte. Our study suggests that even before the establishment of a specialized ant-plant protection mutualism, nutritional benefits conferred by domatia inhabitants can explain the fitness benefits of bearing domatia, and thus the maintenance of a trait that facilitates the establishment of a specialized ant-plant symbiosis.

Organic photovoltaics: key photophysical, device and design aspects

Key aspects of Organic Photovoltaics (OPVs) have been reviewed in this tutorial. Issues pertaining to the choice of materials, fabrication processes, photophysical mechanisms, device characterization, morphology of active layers and manufacturing are discussed. Special emphasis has been given to recent developments in large-area modules. Current strategies in enhancing the performance using external optical engineering approaches have also been highlighted. OPVs as a technology combine low weight, flexibility, low cost, good form factor and high-throughput processing; making them a promising PV technology for the future.

Haemophilus influenzae Genome Database (HIGDB): A single point web resource for Haemophilus influenzae

Background: Haemophilus influenzae (H. Influenzae) is the causative agent of pneumonia, bacteraemia and meningitis. The organism is responsible for large number of deaths in both developed and developing countries. Even-though the first bacterial genome to be sequenced was that of H. Influenzae, there is no exclusive database dedicated for H. Influenzae. This prompted us to develop the Haemophilus influenzae Genome Database (HIGDB). Methods: All data of HIGDB are stored and managed in MySQL database. The HIGDB is hosted on Solaris server and developed using PERL modules. Ajax and JavaScript are used for the interface development. Results: The HIGDB contains detailed information on 42,741 proteins, 18,077 genes including 10 whole genome sequences and also 284 three dimensional structures of proteins of H. influenzae. In addition, the database provides ``Motif search'' and ``GBrowse''. The HIGDB is freely accessible through the URL:http://bioserverl.physicslisc.ernetin/HIGDB/. Discussion: The HIGDB will be a single point access for bacteriological, clinical, genomic and proteomic information of H. influenzae. The database can also be used to identify DNA motifs within H. influenzae genomes and to compare gene or protein sequences of a particular strain with other strains of H. influenzae. (C) 2014 Elsevier Ltd. All rights reserved.