Synthesis and complexing properties of four imidazolyl acetamido p-tert-butylcalix[4]arenes

Four imidazolyl acetamido p-tert-butylcalix[4]arenes 5–8 have been prepared by reacting the corresponding methyl esters derivatives 1–4 with histamine in 1:1 mixture of methanol:toluene. The yields ranged from 56 to 68%. 5–8 have been shown to be in cone conformation. The complexation behaviour of 5–8 towards monovalent metal picrates M⁺Pic⁻ with M⁺ = Li⁺, Na⁺, K⁺, Rb⁺ and Cs⁺ and divalent metal picrates M²⁺(Pic⁻)₂ with M²⁺ = Mg²⁺, Ca²⁺, Sr²⁺, Ba²⁺, Pb²⁺, Cd²⁺, Zn²⁺ and Co²⁺ are given. Tentative localisation of the metal cations in the receptors is given. The binding properties towards these cations have been determined along with stoichiometries of the complexes.     

Synthesis, 1H-NMR conformational analysis and complexation studies of two di-imidazolyl acetamido p-tert-butylcalix[4]arenes

The synthesis of a new di-imidazolyl-di-methoxy acetamido p-tert-butylcalix[4]arene 4 is reported. 4 has been prepared by reacting the corresponding di-methyl ester di-methoxy derivative with histamine in 1:1 mixture of methanol: toluene. The binding properties of 4 towards alkali, alkaline earth, transition (Zn²⁺, Co²⁺) and heavy (Pb²⁺, Cd²⁺) metals have been investigated along with the complexes stoichiometries. The ¹H-NMR spectra of complexes show the location of cations in receptor 4. Partial cone conformation is observed only with strontium and calcium whereas the cone conformation is detected with most of the cations. Comparison of the complexation results with those obtained for di-imidazolyl acetamido p-tert-butylcalix[4]arene 3 missing the methyl groups is also reported.     

Multi-calixarenes with multidentate coordination sites

Hyperbranched molecules, 4–8, based on calixarenes attached to newly synthesised cores 2 and 3 have been prepared. Preliminary complexation studies of the complexation of Zn(Pic)₂ by 8 showed that the ligand prefers to bind the picrate anions.     

Determination of Ni2+ using an equilibrium ion exchange technique: Important chemical factors and applicability to environmental samples

The main purpose of this study was to investigate the relationship between some coffee roasting variables (weight loss, density and moisture) with near infrared (NIR) spectra of original green (i.e. raw) and differently roasted coffee samples, in order to test the availability of non-destructive NIR technique to predict coffee roasting degree. Separate calibration and validation models, based on partial least square (PLS) regression, correlating NIR spectral data of 168 representatives and suitable green and roasted coffee samples with each roasting variable, were developed. Using PLS regression, a prediction of the three modelled roasting responses was performed. High accuracy results were obtained, whose root mean square errors of the residuals in prediction (RMSEP) ranged from 0.02 to 1.23%. Obtained data allowed to construct robust and reliable models for the prediction of roasting variables of unknown roasted coffee samples, considering that measured vs. predicted values showed high correlation coefficients (r from 0.92 to 0.98). Results provided by calibration models proposed were comparable in terms of accuracy to the conventional analyses, revealing a promising feasibility of NIR methodology for on-line or routine applications to predict and/or control coffee roasting degree via NIR spectra.     

Silica supported sulfated zirconia prepared by a sol-gel process: Effect of solvent evacuation procedure on the structural, textural and catalytic properties

Sol-gel process was used to prepare silica supported sulfated zirconia catalysts. The main parameter studied in this work was the gel drying method through four different ways of solvent evacuation. Textural, structural as well as the acidic properties of the four samples were studied using N₂ physisorption, X-ray diffraction, mass spectrometry, sulfur chemical analysis and adsorption-desorption of pyridine. The isomerization of n-hexane was used as a catalytic test. The surface areas and the pore distributions are highly affected by the drying mode. One of the four drying methods leads to a solid having improved textural properties and presenting both the crystalline ZrO₂ tetragonal phase and a particular type of sulfate mode bond. It seems that these three conditions are necessary for achieving high catalytic activity.     

Self‐inclusion in 5,11,17,23‐tetra‐tert‐butyl‐26,27,28‐tri­hydroxy­‐25‐(methoxy­carbonyl­methoxy)calix­[4]­arene chloro­form trisolvate

The title compound, C₄₇H₆₀O₆·3CHCl₃, is the first example of a lower‐rim mono‐ester calixarene derivative to be crystallographically characterized. The cone conformation adopted by the macrocycle is stabilized by three intramolecular hydrogen bonds. Self‐inclusion of the methyl ester chain in the cavity of an adjacent mol­ecule gives rise to infinite chains parallel to the c axis. C—H⋯π interactions involving the methyl group most imbedded in the cavity contribute to the stabilization of the system.     

An effective PSO-inspired algorithm for the team orienteering problem

The Team Orienteering Problem (TOP) is a particular vehicle routing problem in which the aim is to maximize the profit gained from visiting customers without exceeding a travel cost/time limit. This paper proposes a new and fast evaluation process for TOP based on an interval graph model and a Particle Swarm Optimization inspired Algorithm (PSOiA) to solve the problem. Experiments conducted on the standard benchmark of TOP clearly show that our algorithm outperforms the existing solving methods. PSOiA reached a relative error of 0.0005% whereas the best known relative error in the literature is 0.0394%. Our algorithm detects all but one of the best known solutions. Moreover, a strict improvement was found for one instance of the benchmark and a new set of larger instances was introduced.     

Spectral analysis and generation of certain highly oscillatory curves related to chaos,part 2: Calculation aspects

The Fourier spectrum of a curve on a given interval, as represented by the Fourier series, is very reflective of the oscillatory behavior of the curve as the “weights” of the Fourier coefficients can indicate the individual prominence of frequencies of oscillations. But, unfortunately, the calculations of the Fourier coefficients can often get quite cumbersome.     

Umsetzungen von 1-Aminoalkan-1,1-diphosphonsäuren mit salpetriger Säure

Reactions of 1-Aminoalkane-1,1-diphosphonic Acids with Nitrous Acid Compounds of the structure RC(NH₂)(PO₃H₂)₂ 1 give products RC(OH)(PO₃H₂)₂ 2 in high yields by the reaction with nitrous acid. In contrast, when R = Aryl the reaction of 1 often gives in concentrated hydrochloric acid RCCl(PO₃H₂)₂ 3 . Exceptions to the above reaction are described.