A Spatiotemporal Framework for Estimating Trial-to-Trial Amplitude Variation in Event-Related MEG/EEG

A spatiotemporal framework for estimating trial-to-trial variability in evoked response (ER) data is presented. Spatial and temporal bases capture the aspects of the response that are consistent across trials, while the basis expansion coefficients represent the variable components of the response. We focus on the simplest case of constant spatiotemporal response shape and varying amplitude across trials. Two different constraints on the amplitude evolution are employed to effectively integrate the individual responses and improve robustness at low SNR. The linear dynamical system response constraint estimates the current trial amplitude as an unknown constant scaling of the estimate in the previous trial plus zero-mean Gaussian noise with unknown variance. The independent response constraint estimates response amplitudes across trials as independent Gaussian random variables having unknown mean and variance. We develop a generalized expectation-maximization algorithm to obtain the maximum-likelihood (ML) estimates of the signal waveform, noise covariance matrix, and unknown constraint parameters. ML source localization is achieved by scanning the likelihood over different sets of spatial bases. We demonstrate the variability estimation and source localization effectiveness of the proposed algorithms using both real and simulated ER data.     

Combinatorial Virtual Library Screening Study of Transforming Growth Factor-β2–Chondroitin Sulfate System

Transforming growth factor-beta (TGF-β), a member of the TGF-β cytokine superfamily, is known to bind to sulfated glycosaminoglycans (GAGs), but the nature of this interaction remains unclear. In a recent study, we found that preterm human milk TGF-β2 is sequestered by chondroitin sulfate (CS) in its proteoglycan form. To understand the molecular basis of the TGF-β2–CS interaction, we utilized the computational combinatorial virtual library screening (CVLS) approach in tandem with molecular dynamics (MD) simulations. All possible CS oligosaccharides were generated in a combinatorial manner to give 24 di- (CS02), 192 tetra- (CS04), and 1536 hexa- (CS06) saccharides. This library of 1752 CS oligosaccharides was first screened against TGF-β2 using the dual filter CVLS algorithm in which the GOLDScore and root-mean-square-difference (RMSD) between the best bound poses were used as surrogate markers for in silico affinity and in silico specificity. CVLS predicted that both the chain length and level of sulfation are critical for the high affinity and high specificity recognition of TGF-β2. Interestingly, CVLS led to identification of two distinct sites of GAG binding on TGF-β2. CVLS also deduced the preferred composition of the high specificity hexasaccharides, which were further assessed in all-atom explicit solvent MD simulations. The MD results confirmed that both sites of binding form stable GAG–protein complexes. More specifically, the highly selective CS chains were found to engage the TGF-β2 monomer with high affinity. Overall, this work present key principles of recognition with regard to the TGF-β2–CS system. In the process, it led to the generation of the in silico library of all possible CS oligosaccharides, which can be used for advanced studies on other protein–CS systems. Finally, the study led to the identification of unique CS sequences that are predicted to selectively recognize TGF-β2 and may out-compete common natural CS biopolymers.     

Design of Compact D-shaped Frequency Reconfigurable Slot Antenna for Ku/K Band Applications

Wireless Personal Communications - In this paper, a new compact design of frequency reconfigurable slot antenna is presented. The proposed radiating patch consists of two symmetrical D shape slots...     

Selective peptidic and peptidomimetic inhibitors of Candida albicans myristoylCoA: protein N-myristoyltransferase: a new approach to antifungal therapy

MyristoylCoA: protein N-myristoyltransferase (NMT) catalyzes the cotranslational covalent attachment of a rare cellular fatty acid, myristate, to the N-terminal Gly residue of a variety of eukaryotic proteins. The myristoyl moiety is often essential for expression of the biological functions for these proteins. Attachment of C14:0 alone provides barely enough hydrophobicity to allow stable association with membranes. The partitioning of N-myrisotylproteins is therefore often modulated by "switches" that function through additional covalent or noncovalent modifications. Candida albicans, the principal cause of systemic fungal infection in immunocompromised humans, contains a single NMT gene that is essential for its viability. The functional properties of the acylCoA binding site of human and C. albicans NMT are very similar. However, there are distinct differences in their peptide binding sites. An ADP ribosylation factor (Arf) is included among the few cellular protein substrates of the fungal enzyme. Alanine scanning mutagenesis of an octapeptide derived from an N-terminal Arf sequence (GLYASKLS-NH2) disclosed that Gly1, Ser5, and Lys6 play predominant roles in binding. ALYASKLS-NH2 is an inhibitor competitive for peptide [Ki(app) = 15.3 +/- 6.4 microM] and noncompetitive for myristoylCoA. Remarkably, replacement of the N-terminal tetrapeptide with an 11-aminoundecanoyl group results in a competitive inhibitor (11-aminoundecanoyl-SKLS-NH2) that is approximately 40-fold more potent [Ki(app) = 0.40 +/- 0.03 microM] than the starting octapeptide. Removal of Leu-Ser from the C-terminus generates a competitive dipeptide inhibitor (11-aminoundecanoyl-SK-NH2) with a Ki(app) of 11.7 +/- 0.4 microM, equivalent to that of the starting octapeptide. A derivative dipeptide inhibitor containing a C-terminal N-cyclohexylethyl lysinamide moiety has the advantage of being more potent (IC50 = 0.11 +/- 0.03 microM) and resistant to digestion by cellular carboxypeptidases. Rigidifying the flexible aminoundecanoyl chain results in very potent general NMT inhibitors (IC50 = 40-50 nM). Substituting a 2-methylimidazole for the N-terminal amine and adding a benzylic alpha-methyl group with R stereochemistry to the rigidifying element produces even more potent inhibitors (IC50 = 20-50 nM) that are up to 500-fold selective for the fungal compared to human enzyme. A related less potent member of this series of compounds is fungistatic. Its growth inhibitory effects are associated with a reduction in cellular protein N-myristoylation, judged using cellular Arf as a reporter. These studies establish that NMT is a new antifungal target.     

Interfacial Strain Gradients Control Nanoscale Domain Morphology in Epitaxial BiFeO3 Multiferroic Films

Domain switching pathways fundamentally control performance in ferroelectric thin film devices. In epitaxial bismuth ferrite (BiFeO₃) films, the domain morphology is known to influence the multiferroic orders. While both striped and mosaic domains have been observed, the origins of the latter have remained unclear. Here, it is shown that domain morphology is defined by the strain profile across the film–substrate interface. In samples with mosaic domains, X‐ray diffraction analysis reveals strong strain gradients, while geometric phase analysis using scanning transmission electron microscopy finds that within 5 nm of the film–substrate interface, the out‐of‐plane strain shows an anomalous dip while the in‐plane strain is constant. Conversely, if uniform strain is maintained across the interface with zero strain gradient, striped domains are formed. Critically, an ex situ thermal treatment, which eliminates the interfacial strain gradient, converts the domains from mosaic to striped. The antiferromagnetic state of the BiFeO₃ is also influenced by the domain structure, whereby the mosaic domains disrupt the long‐range spin cycloid. This work demonstrates that atomic scale tuning of interfacial strain gradients is a powerful route to manipulate the global multiferroic orders in epitaxial films.     

Synthesis,characterization, thermal,electrical and electrochemical studies of oligo nitrobenzimidazoles and their p–n diode applications

Three novel nitro oligobenzimidazoles, oligo-2-(6-nitro-1H-benzo[d]imidazol-2-yl)phenol (OBINP2), oligo-3-(6-nitro-1H-benzo[d]imidazol-2-yl)phenol (OBINP3) and oligo-4-(6-nitro-1H-benzo[d]imidazol-2-yl)phenol (OBINP4) were synthesized by oxidative polycondensation of benzimidazole monomers with NaOCl in aqueous alkaline medium. The structure of the monomers and oligomers were confirmed by FT-IR, UV–Vis, ¹H and ¹³C NMR spectroscopic techniques. The monomer BINP2 and its oligomer are showing dual emission through excited state intramolecular proton transfer process. The band gap values of monomers and oligomers were calculated from both UV–Vis spectroscopic and cyclic voltammetric data. Theoretical band gap values of monomers obtained from DFT were compared with experimentally calculated band gap values. The electrical conductivity of I₂ doped and undoped oligomers were measured using two point probe technique and are showing good correlation with the charge densities on imidazole nitrogen obtained from Huckel method. The conductivity of oligomers increases with increase in iodine vapour contact time up to 144 h. The variation of dielectric properties of oligomers has been investigated at different frequency and temperature. Among the oligomers, OBINP3 is having greater thermal stability as evidenced by its high carbine residue of around 65% at 600 °C in thermogravimetric analysis.     

Adoption of Rainwater Harvesting: a Dual-factor Approach by Integrating Theory of Planned Behaviour and Norm Activation Model

The objective of the study is to identify the factors that lead to the adoption of rainwater harvesting in enabling sustainable ground water. The Theory of Planned Behavior and Norm Activation Model has been adopted. The sample consists of 400 participants who were either constructing and likely to construct houses have been considered for the study. Structural Equation Modelling was used to analyze the data. The study results exhibited the adoption of rainwater harvesting, and the moderation effect of intention to acquire rainwater harvesting knowledge on the relationship between environmental concern; environmental responsibility and rainwater harvesting. Based on the results, significant theoretical and practical implications have been made.

     

Experimental study and hydrodynamic modeling of countercurrent liquid–solid system with batch liquid

It is known that a transient effluent outlet concentration is obtained with a batch of adsorbent solids in any operation. A preferred steady state outlet concentration can be achieved with a continuous flow of solids. In the present work, information on pressure profiles, the total pressure drop across the column and holdup of solids are experimentally obtained for various solid flow rates, particle sizes and densities in a countercurrent liquid–solid system. These experimental results are compared with the prediction obtained using a phenomenological model containing continuity and momentum balance equations. The dominant drag force term was expressed in terms of various drag equations. The drag expression developed by Foscolo et al. (1983 Foscolo, P. U., Gibilaro, L. G., and Waldram, S. P. (1983). A unified model for particulate expansion of fluidized beds and flow in fixed porous media, Chem. Eng. Sci., 38(8), 1251–1260.[Crossref], [Web of Science ®] , [Google Scholar]) could predict the axial profiles of pressure drop and holdup, and the effect of various parameters on total pressure drop and solid holdup most satisfactorily.