Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol

Cocrystallization experiments of 2-methylresorcinol with several N-bases were performed to identify selective and preferred crystallization routes in relevant structural landscapes. These preferred supramolecular synthon-based crystallization routes were further enhanced by using carefully chosen coformer combinations to synthesize stoichiometric ternary solids. The exercise consists of modular selection and amplification of supramolecular synthons from single through two-to three-component molecular solids, and is equivalent to solid state combinatorial synthesis.

Simple crystallizations of 4-manifolds

Minimal crystallizations of simply connected PL 4-manifolds are very natural objects. Many of their topological features are reflected in their combinatorial structure which, in addition, is preserved under the connected sum operation. We present a minimal crystallization of the standard PL K3 surface. In combination with known results this yields minimal crystallizations of all simply connected PL 4-manifolds of ``standard'' type, that is, all connected sums of CP2, S-2 x S-2, and the K3 surface. In particular, we obtain minimal crystallizations of a pair of homeomorphic but non-PL-homeomorphic 4-manifolds. In addition, we give an elementary proof that the minimal 8-vertex crystallization of CP2 is unique and its associated pseudotriangulation is related to the 9-vertex combinatorial triangulation of CP2 by the minimum of four edge contractions.

Rapid NMR Assignments of Proteins by Using Optimized Combinatorial Selective Unlabeling

A new approach for rapid resonance assignments in proteins based on amino acid selective unlabeling is presented. The method involves choosing a set of multiple amino acid types for selective unlabeling and identifying specific tripeptides surrounding the labeled residues from specific 2D NMR spectra in a combinatorial manner. The methodology directly yields sequence specific assignments, without requiring a contiguously stretch of amino acid residues to be linked, and is applicable to deuterated proteins. We show that a 2D N-15,H-1]HSQC spectrum with two 2D spectra can result in approximate to 50% assignments. The methodology was applied to two proteins: an intrinsically disordered protein (12kDa) and the 29kDa (268 residue) -subunit of Escherichia coli tryptophan synthase, which presents a challenging case with spectral overlaps and missing peaks. The method can augment existing approaches and will be useful for applications such as identifying active-site residues involved in ligand binding, phosphorylation, or protein-protein interactions, even prior to complete resonance assignments.

Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)

A synthetic strategy is outlined whereby a binary cocrystal may be developed in turn into a ternary and finally into a quaternary cocrystal. The strategy hinges on the concept of the long-range synthon Aufbau module (LSAM) which is a large supramolecular synthon containing more than one type of intermolecular interaction. Modulation of these interactions may be possible with the use of additional molecular components so that higher level cocrystals are produced. We report six quaternary cocrystals here. All are obtained as nearly exclusive crystallization products when four appropriate solid compounds are taken together in solution for crystallization.

Case study: Digital approaches to English and mathematics

Case study on six partner organisations in the eastern region and how they have supported learners on apprenticeship and traineeship programmes.

Molecular mechanisms of interleukin-2 gene inducibility: developmental control and combinatorial action of transcription factors

Interleukin-2 is one of the lymphokines secreted by T helper type 1 cells upon activation mediated by T-cell receptor (TCR) and accessory molecules. The ability to express IL-2 is correlated with T-lineage commitment and is regulated during T cell development and differentiation. Understanding the molecular mechanism of how IL-2 gene inducibility is controlled at each transition and each differentiation process of T-cell development is to understand one aspect of T-cell development. In the present study, we first attempted to elucidate the molecular basis for the developmental changes of IL-2 gene inducibility. We showed that IL-2 gene inducibility is acquired early in immature CD4- CD8-TCR- thymocytes prior to TCR gene rearrangement. Similar to mature T cells, a complete set of transcription factors can be induced at this early stage to activate IL-2 gene expression. The progression of these cells to cortical CD4^+CD8^+TCR^(1o) cells is accompanied by the loss of IL-2 gene inducibility. We demonstrated that DNA binding activities of two transcription factors AP-1 and NF-AT are reduced in cells at this stage. Further, the loss of factor binding, especially AP-1, is attributable to the reduced ability to activate expression of three potential components of AP-1 and NF-AT, including c-Fos, FosB, and Fra-2. We next examined the interaction of transcription factors and the IL-2 promoter in vivo by using the EL4 T cell line and two non-T cell lines. We showed an all-or-none phenomenon regarding the factor-DNA interaction, i.e., in activated T cells, the IL-2 promoter is occupied by sequence-specific transcription factors when all the transcription factors are available; in resting T cells or non-T cells, no specific protein-DNA interaction is observed when only a subset of factors are present in the nuclei. Purposefully reducing a particular set of factor binding activities in stimulated T cells using pharmacological agents cyclosporin A or forskolin also abolished all interactions. The results suggest that a combinatorial and coordinated protein-DNA interaction is required for IL-2 gene activation. The thymocyte experiments clearly illustrated that multiple transcription factors are regulated during intrathymic T-cell development, and this regulation in tum controls the inducibility of the lineage-specific IL-2 gene. The in vivo study of protein-DNA interaction stressed the combinatorial action of transcription factors to stably occupy the IL-2 promoter and to initiate its transcription, and provided a molecular mechanism for changes in IL-2 gene inducibility in T cells undergoing integration of multiple environmental signals.

λ-designs and related combinatorial configurations

This thesis deals with two problems. The first is the determination of λ-designs, combinatorial configurations which are essentially symmetric block designs with the condition that each subset be of the same cardinality negated. We construct an infinite family of such designs from symmetric block designs and obtain some basic results about their structure. These results enable us to solve the problem for λ = 3 and λ = 4. The second problem deals with configurations related to both λ -designs and (ѵ, k, λ)-configurations. We have (n-1) k-subsets of {1, 2, ..., n}, S₁, ..., S_n-1 such that S_i ∩ S_j is a λ-set for i ≠ j. We obtain specifically the replication numbers of such a design in terms of n, k, and λ with one exceptional class which we determine explicitly. In certain special cases we settle the problem entirely.

Combinatorial properties of finite geometric lattices

Let L be a finite geometric lattice of dimension n, and let w(k) denote the number of elements in L of rank k. Two theorems about the numbers w(k) are proved: first, w(k) ≥ w(1) for k = 2, 3, ..., n-1. Second, w(k) = w(1) if and only if k = n-1 and L is modular. Several corollaries concerning the "matching" of points and dual points are derived from these theorems.

Both theorems can be regarded as a generalization of a theorem of de Bruijn and Erdös concerning ʎ= 1 designs. The second can also be considered as the converse to a special case of Dilworth's theorem on finite modular lattices.

These results are related to two conjectures due to G. -C. Rota. The "unimodality" conjecture states that the w(k)'s form a unimodal sequence. The "Sperner" conjecture states that a set of non-comparable elements in L has cardinality at most max/k {w(k)}. In this thesis, a counterexample to the Sperner conjecture is exhibited.

Instances of combinatorial optimization problems: complexity and generation

138 p.

Er3+-doped glass-polymer composite thin films fabricated using combinatorial pulsed laser deposition

Siloxane Polymer exhibits low loss in the 800-1500 nm range which varies between 0.01 and 0.66 dB cm1. It is for such low loss the material is one of the most promising candidates in the application of engineering passive and active optical devices [1, 2]. However, current polymer fabrication techniques do not provide a methodology which allows high structurally solubility of Er3+ ions in siloxane matrix. To address this problem, Yang et al.[3] demonstrated a channel waveguide amplifier with Nd 3+-complex doped polymer, whilst Wong and co-workers[4] employed Yb3+ and Er3+ co-doped polymer hosts for increasing the gain. In some recent research we demonstrated pulsed laser deposition of Er-doped tellurite glass thin films on siloxane polymer coated silica substrates[5]. Here an alternative methodology for multilayer polymer-glass composite thin films using Er3+ - Yb3+ co-doped phosphate modified tellurite (PT) glass and siloxane polymer is proposed by adopting combinatorial pulsed laser deposition (PLD). © 2011 IEEE.