Novel Coronene–Naphthalene Dimide‐Based Donor–Acceptor Pair for Tunable Charge‐Transfer Nanostructures

Charge‐transfer (CT) assemblies of aromatic donor (D) and acceptor (A) molecules have recently gained attention as a promising material for organic electronics and ferroelectrics. Two major factors which govern their functions are the strength of CT interaction and their supramolecular nanostructuring. Here we present coronene‐naphthalenediimide (NDI)‐based novel D‐A pairs that form alternately stacked CT assemblies. Through systematic substitution of the NDI derivatives and studying their CT interactions with coronene, a clear understanding of the secondary forces responsible for controlling their association is gained. Finally, the use of CT‐based supramolecular amphiphiles for their nanostructural engineering into ordered one‐dimensional (1‐D) assemblies is demonstrated.     

Supramolecular Clippers for Controlling Photophysical Processes through Preorganized Chromophores

A novel supramolecular clipping design for influencing the photophysical properties of functional molecular assemblies, by the preorganization (clipping) of chromophores, is described. Several chromophores end functionalized with molecular recognition units were designed. These molecular recognition units serve as handles to appropriately position these systems upon noncovalent interactions with multivalent guest molecules (supramolecular clippers). Towards this goal, we have synthesized 1,5‐dialkoxynaphthalene (DAN) and naphthalenediimide (NDI) functionalized with dipicolylethylenediamine (DPA) motifs. These molecules could preorganize upon noncovalent clipping with adenosine di‐ or triphosphates, which resulted in preassociated excimers and mixed (cofacial) charge‐transfer (CT) assemblies. Chiral guest binding could also induce supramolecular chirality, not only into the individual chromophoric assembly but also into the heteromeric CT organization, as seen from the strong circular dichroism (CD) signal of the CT transition. The unique ability of this design to influence the intermolecular interactions by changing the binding strength of the clippers furthermore makes it very attractive for controlling the bimolecular photophysical processes.     

An efficient and clean synthesis of bis(indolyl)methanes in a protic solvent at room temperature

Electrophilic substitution reactions of indoles with various aldehydes were carried out in a protic solvent at room temperature in the absence of any other catalyst to afford bis(indolyl)-methanes in excellent yields.     

Regularized Adaptation of Fuzzy Inference Systems. Modelling the Opinion of a Medical Expert about Physical Fitness: An Application

This study presents a new approach to adaptation of Sugeno type fuzzy inference systems using regularization, since regularization improves the robustness of standard parameter estimation algorithms leading to stable fuzzy approximation. The proposed method can be used for modelling, identification and control of physical processes. A recursive method for on-line identification of fuzzy parameters employing Tikhonov regularization is suggested. The power of approach was shown by applying it to the modelling, identification, and adaptive control problems of dynamic processes. The proposed approach was used for modelling of human-decisions (experience) with a fuzzy inference system and for the fuzzy approximation of physical fitness with real world medical data.     

Certain transformations and special values of hypergeometric functions over finite fields

The Ramanujan Journal - In this article we find finite field analogues of certain transformations satisfied by the classical hypergeometric series. Using properties of Gauss and Jacobi sums we...     

A proximity-induced covalent fluorescent probe for selective detection of bromodomain 4

Through proximity-induced conjugation reaction, a peptide-based fluorescent probe was designed and synthesized for selective detection of bromodomain 4.     

Multiscale simulation of viscoelastic free surface flows

A micro–macro approach based on combining the Brownian configuration fields (BCF) method [M.A. Hulsen, A.P.G. van Heel, B.H.A.A. van den Brule, Simulation of viscoelastic flow using Brownian configuration fields, J. Non-Newtonian Fluid Mech. 70 (1997) 79–101] with an Arbitrary Lagrangian–Eulerian (ALE) Galerkin finite element method, using elliptic mesh generation equations coupled with time-dependent conservation equations, is applied to study slot coating flows of polymer solutions. The polymer molecules are represented by dumbbells with both linear and non-linear springs; hydrodynamic interactions between beads are incorporated. Calculations with infinitely extensible (Hookean) and pre-averaged finitely extensible (FENE-P) dumbbell models are performed and compared with equivalent closed-form macroscopic models in a conformation tensor based formulation [M. Pasquali, L.E. Scriven, Free surface flows of polymer solutions with models based on the conformation tensor, J. Non-Newtonian Fluid Mech. 108 (2002) 363–409]. The BCF equation for linear dumbbell models is solved using a fully implicit time integration scheme which is found to be more stable than the explicit Euler scheme used previously to compute complex flows. We find excellent agreement between the results of the BCF based formulation and the macroscopic conformation tensor based formulation. The computations using the BCF approach are stable at much higher Weissenberg numbers, (where λ is the characteristic relaxation time of polymer, and is the characteristic rate of strain) compared to the purely macroscopic conformation tensor based approach, which fail beyond a maximum Wi. A novel computational algorithm is introduced to compute complex flows with non-linear microscopic constitutive models (i.e. non-linear FENE dumbbells and dumbbells with hydrodynamic interactions) for which no closed-form constitutive equations exist. This algorithm is fast and computationally efficient when compared to both an explicit scheme and a fully implicit scheme involving the solution of the non-linear equations with Newton’s method for each configuration field.     

<Emphasis Type="Italic">k</Emphasis>-Trails: recognition,complexity, and approximations

The notion of degree-constrained spanning hierarchies, also called k-trails, was recently introduced in the context of network routing problems. They describe graphs that are homomorphic images of connected graphs of degree at most k. First results highlight several interesting advantages of k-trails compared to previous routing approaches. However, so far, only little is known regarding computational aspects of k-trails. In this work we aim to fill this gap by presenting how k-trails can be analyzed using techniques from algorithmic matroid theory. Exploiting this connection, we resolve several open questions about k-trails. In particular, we show that one can recognize efficiently whether a graph is a k-trail, and every graph containing a k-trail is a \((k+1)\)-trail. Moreover, further leveraging the connection to matroids, we consider the problem of finding a minimum weight k-trail contained in a graph G. We show that one can efficiently find a \((2k-1)\)-trail contained in G whose weight is no more than the cheapest k-trail contained in G, even when allowing negative weights. The above results settle several open questions raised by Molnár, Newman, and Seb?.     

Lifting inequalities: a framework for generating strong cuts for nonlinear programs

In this paper, we introduce the first generic lifting techniques for deriving strong globally valid cuts for nonlinear programs. The theory is geometric and provides insights into lifting-based cut generation procedures, yielding short proofs of earlier results in mixed-integer programming. Using convex extensions, we obtain conditions that allow for sequence-independent lifting in nonlinear settings, paving a way for efficient cut-generation procedures for nonlinear programs. This sequence-independent lifting framework also subsumes the superadditive lifting theory that has been used to generate many general-purpose, strong cuts for integer programs. We specialize our lifting results to derive facet-defining inequalities for mixed-integer bilinear knapsack sets. Finally, we demonstrate the strength of nonlinear lifting by showing that these inequalities cannot be obtained using a single round of traditional integer programming cut-generation techniques applied on a tight reformulation of the problem.      

Shear-induced alignment and nanowire silica synthesis in a rigid crystalline surfactant mesophase

Highly aligned stringlike silica nanostructures are obtained through templated synthesis in the columnar hexagonal structure of a rigid crystalline surfactant mesophase. A two-step procedure is used to first shear-align the surfactant mesophase and then conduct synthesis under quiescent conditions in the mesophase. The mesophase retains its alignment for extended periods, allowing materials synthesis to be decoupled from the application of shear. The observations have significant implications in the control of ceramic microstructure morphology and transitions from nonaligned to aligned nanowire type structures.