Strongly correlated non-equilibrium steady states with currents – quantum and classical picture

In this minireview we will discuss recent progress in the analytical study of current-carrying non-equilibrium steady states (NESS) that can be constructed in terms of a matrix product ansatz. We will focus on one-dimensional exactly solvable strongly correlated cases, and will study both quantum models, and classical models which are deterministic in the bulk. The only source of classical stochasticity in the time-evolution will come from the boundaries of the system. Physically, these boundaries may be understood as Markovian baths, which drive the current through the system. The examples studied include the open XXZ Heisenberg spin chain, the open Hubbard model, and a classical integrable reversible cellular automaton, namely the Rule 54 of A. Bobenko et al. [A. Bobenko et al., Commun. Math. Phys. 158, 127 (1993)] with stochastic boundaries. The quantum NESS can be at least partially understood through the Yang–Baxter integrability structure of the underlying integrable bulk Hamiltonian, whereas for the Rule 54 model NESS seems to come from a seemingly unrelated integrability theory. In both the quantum and the classical case, the underlying matrix product ansatz defining the NESS also allows for construction of novel conservation laws of the bulk models themselves. In the classical case, a modification of the matrix product ansatz also allows for construction of states beyond the steady state (i.e., some of the decay modes – Liouvillian eigenvectors of the model). We hope that this article will help further the quest to unite different perspectives of integrability of NESS (of both quantum and classical models) into a single unified framework.     

Peptide phage display as a tool for drug discovery: targeting membrane receptors

Ligands selected from phage-displayed random peptide libraries tend to be directed to biologically relevant sites on the surface of the target protein. Consequently, peptides derived from library screenings often modulate the target protein's activity in vitro and in vivo and can be used as lead compounds in drug design and as alternatives to antibodies for target validation in both genomics and drug discovery. This review discusses the use of phage display to identify membrane receptor modulators with agonistic or antagonistic activities. Because isolating or producing recombinant membrane proteins for use as target molecules in library screening is often impossible, innovative selection strategies such as panning against whole cells or tissues, recombinant receptor ectodomains, or neutralizing antibodies to endogenous binding partners were devised. Prominent examples from a two-decade history of peptide phage display will be presented, focusing on the design of affinity selection experiments, methods for improving the initial hits, and applications of the identified peptides.     

G-Quadruplex Aptamer-Ligand Characterization

In this work we explore the structure of a G-rich DNA aptamer termed AT11-L2 (TGGTGGTGGTTGTTGTTGGTGGTGGTGGT; derivative of AT11) by evaluating the formation and stability of G-quadruplex (G4) conformation under different experimental conditions such as KCl concentration, temperature, and upon binding with a variety of G4 ligands (360A, BRACO-19, PDS, PhenDC3, TMPyP4). We also determined whether nucleolin (NCL) can be a target of AT11-L2 G4. Firstly, we assessed by circular dichroism, UV and NMR spectroscopies the formation of G4 by AT11-L2. We observed that, for KCl concentrations of 65 mM or less, AT11-L2 adopts hybrid or multiple topologies. In contrast, a parallel topology predominates for buffer containing 100 mM of KCl. The T_m of AT11-L2 in 100 mM of KCl is 38.9 °C, proving the weak stability of this sequence. We also found that upon titration with two molar equivalents of 360A, BRACO-19 and PhenDC3, the G4 is strongly stabilized and its topology is maintained, while the addition of 3.5 molar equivalents of TMPyP4 promotes the disruption of G4. The K_D values between AT11-L2 G4, ligands and NCL were obtained by fluorescence titrations and are in the range of µM for ligand complexes and nM when adding NCL. In silico studies suggest that four ligands bind to the AT11-L2 G4 structure by stacking interactions, while the RBD1,2 domains of NCL interact preferentially with the thymines of AT11-L2 G4. Finally, AT11-L2 G4 co-localized with NCL in NCL-positive tongue squamous cell carcinoma cell line.     

How visual representations participate in algebra classes’ mathematical activity

Our aim is to discuss how a visual display introduced in a classroom activity to represent a specific algebraic procedure is transformed, taking a central role and modifying the ongoing activity. To discuss how visualization comes about in this activity, we describe an illustrative example selected from observations carried out in a 9th grade classroom and analyze the class interaction from a cultural-historical perspective. Our analysis illuminates the tensions that emerge from a difference between the teacher’s way of signifying the algebraic procedure and the students’ overuse of a visual display they associate with it, and how these tensions impel changes in the activity. We further discuss some pros and cons of using visual displays in algebra classes, and we argue that it is very important for the teacher to be aware of them in order to realize the benefits of using such displays.     

Synthesis and characterization of a new adsorbent for capture of metal from aqueous solutions

A new material containing a potential ligand for transition metals was prepared through the reaction of 3-aminopropyltrimethoxysilane and thioglycolic acid. The new adsorbent was characterized by elemental analyses, infrared spectroscopy, solid-state ¹³C nuclear magnetic resonance, thermogravimetric analysis, transmission electron microscopy, and specific surface area calculations. The formulated material was used in the removal of cobalt, copper, and nickel cations from aqueous solutions. Calorimetric titration was applied to study the interaction of these cations with the new adsorbent; the latter displayed a chelating moiety with basic centers containing nitrogen, oxygen, and several sulfur atoms, capable of capturing cations from aqueous solutions. This process of extraction was carried out by a batch method to yield the following order of maximum retention capacity: Ni > Co > Cu. The process of cation interactions showed exothermic enthalpies. The calculated ΔG values are in agreement with the spontaneity of the proposed reactions and conformed to the values found by applying the Langmuir model to these systems. The positive entropy and negative enthalpy values indicated that the reactions are favorable.     

Spondias tuberosa (Anacardiaceae) leaves: profiling phenolic compounds by HPLC‐DAD and LC–MS/MS and in vivo anti‐inflammatory activity

Spondias tuberosa is a medicinal plant used by several local communities in northeast Brazil to treat infections, digestive disorders and inflammatory conditions. The study aimed to identify and quantify the major phenolic in hydroethanolic extract of leaves from S. tuberosa and to evaluate its anti‐inflammatory potential. The chemical profile of extract was analyzed by HPLC‐DAD and HPLC–MS. The in vivo anti‐inflammatory activity was investigated in carrageenan‐induced hind paw edema and peritonitis models in mice. Identified and quantified through HPLC‐DAD or HPLC‐MS analyses of S. tuberosa extract were the following compounds: chlorogenic acid, caffeic acid, rutin and isoquercitrin. The inflammatory response to carrageenan was significantly reduced in both models by S. tuberosa extract. In hind paw edema, the edematogenic response was reduced by up to 63.6% and the myeloperoxidase activity was completely inhibited. In the peritonitis model, the total cell migration into the peritoneal cavity was reduced by up to 65%. The results obtained give evidence of the anti‐inflammatory action of S. tuberosa and suggest the potential therapeutic benefit of this plant on inflammatory conditions. The chlorogenic acid, caffeic acid, rutin and isoquercitrin identified and quantified in S. tuberosa leaves enable us to suggest that these compounds could be used as chemical markers for quality control of derivative products from this species. Copyright © 2016 John Wiley & Sons, Ltd.     

Noncovalent Substrate‐Directed Enantioselective Heck Reactions: Synthesis of S‐ and P‐Stereogenic Heterocycles

S‐ and P‐Stereogenic heterocycles were synthesized by a remarkably simple enantioselective Heck desymmetrization reaction based on the unprecedented noncovalent directing effect of S=O and P=O functionalities. Selected prochiral symmetric substrates were efficiently arylated using the recently disclosed chiral PyraBOx ligand under mild and open‐flask reaction conditions. Several five‐membered aryl‐ sulfones, sulfoxides, and phosphine oxides were synthesized in good to excellent yields, in good to high diastereoselectivity, and enantiomeric ratios up to 98:2. Theoretical calculations also support the noncovalent directing effect of the S=O and P=O functionalities during the arylation process.     

Rapid Screening and Identification of Polar Constituents from Brazilian Arnica Lychnophora sp. by LC-UV/DAD-ESI-MS and LC-UV/DAD-ESI-MS/MS Analysis

This paper describes an analytical method for the rapid screening and identification of the phenolic constituents present in the polar extracts of different Lychnophora spp. using LC-UV/DAD-ESI-MS and LC-UV/DAD-ESI-MS/MS. Compounds were identified based on UV, retention time, MS experiments and MS/MS of precursor ion or standard. On-line phytochemical investigation of Lychnophora spp. allowed for the identification of flavonoids, chlorogenic acid derivatives and lactones. Some of the observed compounds were for the first time identified in Lychnophora species in a fast analytical procedure. The data obtained here may be helpful to the investigation of polar constituents from other Lychnophora species.