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.

Wind speed prediction using spatio-temporal covariance

High wind poses a number of hazards in different areas such as structural safety, aviation, and wind energy-where low wind speed is also a concern, pollutant transport, to name a few. Therefore, usage of a good prediction tool for wind speed is necessary in these areas. Like many other natural processes, behavior of wind is also associated with considerable uncertainties stemming from different sources. Therefore, to develop a reliable prediction tool for wind speed, these uncertainties should be taken into account. In this work, we propose a probabilistic framework for prediction of wind speed from measured spatio-temporal data. The framework is based on decompositions of spatio-temporal covariance and simulation using these decompositions. A novel simulation method based on a tensor decomposition is used here in this context. The proposed framework is composed of a set of four modules, and the modules have flexibility to accommodate further modifications. This framework is applied on measured data on wind speed in Ireland. Both short-and long-term predictions are addressed.

Seventeen-Level Inverter Formed by Cascading Flying Capacitor and Floating Capacitor H-Bridges

A multilevel inverter for generating 17 voltage levels using a three-level flying capacitor inverter and cascaded H-bridge modules with floating capacitors has been proposed. Various aspects of the proposed inverter like capacitor voltage balancing have been presented in the present paper. Experimental results are presented to study the performance of the proposed converter. The stability of the capacitor balancing algorithm has been verified both during transients and steady-state operation. All the capacitors in this circuit can be balanced instantaneously by using one of the pole voltage combinations. Another advantage of this topology is its ability to generate all the voltages from a single dc-link power supply which enables back-to-back operation of converter. Also, the proposed inverter can be operated at all load power factors and modulation indices. Additional advantage is, if one of the H-bridges fail, the inverter can still be operated at full load with reduced number of levels. This configuration has very low dv/dt and common-mode voltage variation.

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.

Experimental Study on Switching Characteristics of an Inverter Leg Consisting of IGBTs of Dissimilar Makes

Usually the top and bottom IGBT devices in an inverter leg are of the same make (i.e. from same manufacturer). At low power level, these two devices even may be contained in the same module. However at high power levels the top and bottom devices are in separate modules. Sometimes, in the event of device failure, device of particular make may be replaced by one of another make, but of same ratings (on account of non-availability of the original make). This paper investigates the effect of such intermixing of two different makes of high power IGBTs in an inverter leg on the switching characteristics. The switching transitions between IGBT and diode of similar make and those of IGBT and diode of dissimilar make are compared experimentally at various DC link voltages and currents. The comparisons are made in terms of, IGBT peak turn-on di/dt, IGBT peak turn-off di/dt, peak diode reverse recovery current (I-rr), peak IGBT voltage overshoot and switching energy losses.

Structural-modulation-driven spin canting and reentrant glassy magnetic phase in ferromagnetic Lu2MnNiO6

Unusual behavior of reentrant spin-glass (RSG) compound Lu2MnNiO6 has been investigated by magnetometry and neutron diffraction. The system possesses a ferromagnetic (FM) ordering below 40 K and undergoes a RSG transition at 20 K. Additionally, Lu2MnNiO6 retains memory effect above the glassy transition till spins sustain ordering. A novel critical behavior with unusual critical exponents (beta =similar to 0.241 and gamma similar to 1.142) is observed that indicates a canting in the spin structure below the ferromagnetic transition (T-C). A comprehensive analysis of temperature-dependent neutron diffraction data and first-principles calculations divulge that a structural distortion induced by an octahedral tilting results in a canted spin structure below T-C.

MODELING AND SIMULATION OF A THREE-WHEELED MOBILE ROBOT ON UNEVEN TERRAINS WITH TWO-DEGREE-OF-FREEDOM SUSPENSION MECHANISMS

A wheeled mobile robot (WMR) will move on an uneven terrain without slip if its torus-shaped wheels tilt in a lateral direction. An independent two degree-of-freedom (DOF) suspension is required to maintain contact with uneven terrain and for lateral tilting. This article deals with the modeling and simulation of a three-wheeled mobile robot with torus-shaped wheels and four novel two-DOF suspension mechanism concepts. Simulations are performed on an uneven terrain for three representative pathsa straight line, a circular, and an S'-shaped path. Simulations show that a novel concept using double four-bar mechanism performs better than the other three concepts.

A mobile robot with a two-degree-of-freedom suspension for traversing uneven terrain with minimal slip: Modeling, simulation and experiments

It is known in literature that a wheeled mobile robot (WMR) with fixed length axle will slip on an uneven terrain. One way to avoid wheel slip is to use a torus-shaped wheel with lateral tilt capability which allows the distance between the wheel-ground contact points to change even with a fixed length axle. Such an arrangement needs a two degree-of-freedom (DOF) suspension for the vertical and lateral tilting motion of the wheel. In this paper modeling, simulation, design and experimentation with a three-wheeled mobile robot, with torus-shaped wheels and a novel two DOF suspension allowing independent lateral tilt and vertical motion, is presented. The suspension is based on a four-bar mechanism and is called the double four-bar (D4Bar) suspension. Numerical simulations show that the three-wheeled mobile robot can traverse uneven terrain with low wheel slip. Experiments with a prototype three-wheeled mobile robot moving on a constructed uneven terrain along a straight line, a circular arc and a path representing a lane change, also illustrate the low slip capability of the three-wheeled mobile robot with the D4Bar suspension. (C) 2015 Elsevier Ltd. All rights reserved.

Real-time maximum a-posteriori image reconstruction for fluorescence microscopy

Rapid reconstruction of multidimensional image is crucial for enabling real-time 3D fluorescence imaging. This becomes a key factor for imaging rapidly occurring events in the cellular environment. To facilitate real-time imaging, we have developed a graphics processing unit (GPU) based real-time maximum a-posteriori (MAP) image reconstruction system. The parallel processing capability of GPU device that consists of a large number of tiny processing cores and the adaptability of image reconstruction algorithm to parallel processing (that employ multiple independent computing modules called threads) results in high temporal resolution. Moreover, the proposed quadratic potential based MAP algorithm effectively deconvolves the images as well as suppresses the noise. The multi-node multi-threaded GPU and the Compute Unified Device Architecture (CUDA) efficiently execute the iterative image reconstruction algorithm that is similar to 200-fold faster (for large dataset) when compared to existing CPU based systems. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

A Voltage Space Vector Diagram Formed by Nineteen Concentric Dodecagons for Medium-Voltage Induction Motor Drive

In this paper, a multilevel dodecagonal voltage space vector structure with nineteen concentric dodecagons is proposed for the first time. This space vector structure is achieved by cascading two sets of asymmetric three-level inverters with isolated H-bridges on either side of an open-end winding induction motor. The dodecagonal structure is made possible by proper selection of dc link voltages and switching states of the inverters. The proposed scheme retains all the advantages of multilevel topologies as well as the advantages of dodecagonal voltage space vector structure. In addition to that, a generic and simple method for calculation of pulsewidth modulation timings using only sampled reference values (v(alpha) and v(beta)) is proposed. This enables the scheme to be used for any closed-loop application such as vector control. In addition, a new method of switching technique is proposed, which ensures minimum switching while eliminating the fifth-and seventh-order harmonics and suppressing the eleventh and thirteenth harmonics, eliminating the need for bulky filters. The motor phase voltage is a 24-stepped wave-form for the entire modulation range thereby reducing the number of switchings of the individual inverter modules. Experimental results for steady-state operation, transient operation, including start-up have been presented and the results of fast Fourier transform analysis is also presented for validating the proposed concept.

Similarity of Matrices Over Local Rings of Length Two

Let R be a (commutative) local principal ideal ring of length two, for example, the ring R = Z/p(2)Z with p prime. In this paper, we develop a theory of normal forms for similarity classes in the matrix rings M-n (R) by interpreting them in terms of extensions of R t]-modules. Using this theory, we describe the similarity classes in M-n (R) for n <= 4, along with their centralizers. Among these, we characterize those classes which are similar to their transposes. Non-self-transpose classes are shown to exist for all n > 3. When R has finite residue field of order q, we enumerate the similarity classes and the cardinalities of their centralizers as polynomials in q. Surprisingly, the polynomials representing the number of similarity classes in M-n (R) turn out to have non-negative integer coefficients.

High Performance Modulation of High-Frequency AC Link Inverter

Inverters with high voltage conversion ratio are used in systems with sources such as batteries, photovoltaic (PV) modules or fuel cells. Transformers are often used in such inverters to provide the required voltage conversion ratio and isolation. In this paper, a compact high-frequency (HF) transformer interfaced AC link inverter with lossless snubber is discussed. A high performance synchronized modulation scheme is proposed for this inverter. This modulation addresses the issue of over-voltage spikes due to transformer leakage inductance and it is shown that the circuit can operate safely even when the turn-on delay, such as dead-time, is not used in the HF rectifier section. The problem of spurious turn-on in the HF inverter switches is also mitigated by the proposed modulation method. The circuit performance is validated experimentally with a $900W$ prototype inverter.