Influence of Aliphatic Chain Length on Structural,Thermal and Electrochemical Properties of n-alkylene Benzyl Alcohols: A Study of the Odd–Even Effect

The century-old, well-known odd–even effect phenomenon is still a very attractive and intriguing topic in supramolecular and nano-scale organic chemistry. As a part of our continuous efforts in the study of supramolecular chemistry, we have prepared three novel aromatic alcohols (1,2-bis[2-(hydroxymethyl)phenoxy]butylene (Do4OH), 1,2-bis[2-(hydroxymethyl)phenoxy]pentylene (Do5OH) and 1,2-bis[2-(hydroxymethyl)phenoxy]hexylene (Do6OH)) and determined their crystal and molecular structures by single-crystal X-ray diffraction. In all compounds, two benzyl alcohol groups are linked by an aliphatic chain of different lengths (CH₂)_n; n = 4, 5 and 6. The major differences in the molecular structures were found in the overall planarity of the molecules and the conformation of the aliphatic chain. Molecules with an even number of CH₂ groups tend to be planar with an all-trans conformation of the aliphatic chain, while the odd-numbered molecule is non-planar, with partial gauche conformation. A direct consequence of these structural differences is visible in the melting points—odd-numbered compounds of a particular series display systematically lower melting points. Crystal and molecular structures were additionally studied by the theoretical calculations and the melting points were correlated with packing density and the number of CH₂ groups. The results have shown that the generally accepted rule, higher density = higher stability = higher melting point, could not be applied to these compounds. It was found that the denser packaging causes an increase in the percentage of repulsive H‧‧‧H interactions, thereby reducing the stability of the crystal, and consequently, the melting points. Another interesting consequence of different molecular structures is their electrochemical and antioxidative properties—a non-planar structure displays the highest oxidation peak of hydroxyl groups and moderate antioxidant activity.     

Deciphering the Structure and Chemical Composition of Drug Nanocarriers: From Bulk Approaches to Individual Nanoparticle Characterization

Drug nanocarriers (NCs) with sizes usually below 200 nm are gaining increasing interest in the treatment of severe diseases such as cancer and infections. Characterization methods to investigate the morphology and physicochemical properties of multifunctional NCs are key in their optimization and in the study of their in vitro and in vivo fate. Whereas a variety of methods has been developed to characterize “bulk” NCs in suspension, the scope of this review is to describe the different approaches for the NC characterization on an individual basis, for which fewer techniques are available. The accent is put on methods devoid of labelling, which could lead to artefacts. For each characterization method, the principles and approaches to analyze the data are presented in an accessible manner. Aspects related to sample preparation to avoid artefacts are indicated, and emphasis is put on examples of applications. NC characterization on an individual basis allows gaining invaluable information in terms of quality control, on: i) NC localization and fate in biological samples; ii) NC morphology and crystallinity; iii) distribution of the NC components (drugs, shells), and iv) quantification of NCs’ chemical composition. The individual characterization approaches are expected to gain increasing interest in the near future.     

Intuitionistic Fuzzy TOPSIS as a Method for Assessing Socioeconomic Phenomena on the Basis of Survey Data

In the assessment of most complex socioeconomic phenomena with the use of multicriteria methods, continuous data are used, the source of which are most often public statistics. However, there are complex phenomena such as quality of life and quality of services in the assessment, for which questionnaire surveys and ordinal measurement scales are used. In this case, the use of classic multicriteria methods is very difficult, taking into account the way of presenting this type of data by official statistics, as well as their permissible transformations and arithmetic operations. Therefore, the main purpose of this study was the presentation of a novel framework which can be applied for assessing socioeconomic phenomena on the basis of survey data. It was assumed that the object assessments may contain positive or negative opinions and an element of uncertainty expressed in the form a “no”, “difficult to say”, or “no opinion” answers. For this reason, the intuitionistic fuzzy TOPSIS (IF-TOPSIS) method is proposed. To demonstrate the potential of this solution, the results of measuring the subjective quality of life of the inhabitants of 83 cities in EU countries, EFTA countries, the UK, the Western Balkans, and Turkey are presented. For most cities, a high level of subjective quality of life was observed using the proposed approach. The highest level of quality of life was observed in Zurich, whereas the lowest was observed in Palermo.     

Supervised Domain Adaptation for Automated Semantic Segmentation of the Atrial Cavity

Atrial fibrillation (AF) is the most common cardiac arrhythmia. At present, cardiac ablation is the main treatment procedure for AF. To guide and plan this procedure, it is essential for clinicians to obtain patient-specific 3D geometrical models of the atria. For this, there is an interest in automatic image segmentation algorithms, such as deep learning (DL) methods, as opposed to manual segmentation, an error-prone and time-consuming method. However, to optimize DL algorithms, many annotated examples are required, increasing acquisition costs. The aim of this work is to develop automatic and high-performance computational models for left and right atrium (LA and RA) segmentation from a few labelled MRI volumetric images with a 3D Dual U-Net algorithm. For this, a supervised domain adaptation (SDA) method is introduced to infer knowledge from late gadolinium enhanced (LGE) MRI volumetric training samples (80 LA annotated samples) to a network trained with balanced steady-state free precession (bSSFP) MR images of limited number of annotations (19 RA and LA annotated samples). The resulting knowledge-transferred model SDA outperformed the same network trained from scratch in both RA (Dice equals 0.9160) and LA (Dice equals 0.8813) segmentation tasks.     

Metal-doped apatitic calcium phosphates: preparation,characterization, and reactivity in the removal of hydrogen sulfide from gas phase

With the expansion of human activities, there are more and more living areas adjacent to industrial and/or agricultural activities such as chemical processes, petroleum processes, paint finishing, food processing, livestock farming, composting plants etc. Bad odor is part of several nuisances caused by industrial and/or agricultural activities. Hydrogen sulfide (H₂S) is a typical odorous molecule which causes foul odor at very low concentration. This molecule is formed in different industrial installations, in particular in coal combustion, and petrochemical refinery. The separation and/or transformation of H₂S from gas phase to odorless products are important processes for sustainable development. In this paper, we communicate the preparation of new sorbents for the sorption of H₂S from a synthetic gas effluent. These sorbents consist in an inorganic phase (hydroxyapatite) as host particles, and well-dispersed particles of a metal oxide as guest particles which are the active phase for the removal of H₂S. At room conditions, iron, lead, and zinc doped calcium phosphates were found to be effective for the removal of H₂S. The performance of the sorbents depends on preparation method and the nature of active phases. This opens new prospects for the treatment of H₂S from gas phase.     

An independent component analysis-based approach on ballistocardiogram artifact removing

Interest about simultaneous electroencephalography (EEG) and functional magnetic resonance imaging (fMRI) data acquisition has rapidly increased during the last years because of the possibility that the combined method offers to join temporal and spatial resolution, providing in this way a powerful tool to investigate spontaneous and evoked brain activities. However, several intrinsic features of MRI scanning become sources of artifacts on EEG data. Noise sources of a highly predictable nature such as those related to the pulse MRI sequence and those determined by magnetic gradient switching during scanning do not represent a major problem and can be easily removed. On the contrary, the ballistocardiogram (BCG) artifact, a large signal visible on all EEG traces and related to cardiac activity inside the magnetic field, is determined by sources that are not fully stereotyped and causing important limitations in the use of artifact-removing strategies. Recently, it has been proposed to use independent component analysis (ICA) to remove BCG artifact from EEG signals. ICA is a statistical algorithm that allows blind separation of statistically independent sources when the only available information is represented by their linear combination. An important drawback with most ICA algorithms is that they exhibit a stochastic behavior: each run yields slightly different results such that the reliability of the estimated sources is difficult to assess. In this preliminary report, we present a method based on running the FastICA algorithm many times with slightly different initial conditions. Clustering structure in the signal space of the obtained components provides us with a new way to assess the reliability of the estimated sources.     

The use of visual cues in the perception of non-native consonant contrasts

This study assessed the extent to which second-language learners are sensitive to phonetic information contained in visual cues when identifying a non-native phonemic contrast. In experiment 1, Spanish and Japanese learners of English were tested on their perception of a labial/ labiodental consonant contrast in audio (A), visual (V), and audio-visual (AV) modalities. Spanish students showed better performance overall, and much greater sensitivity to visual cues than Japanese students. Both learner groups achieved higher scores in the AV than in the A test condition, thus showing evidence of audio-visual benefit. Experiment 2 examined the perception of the less visually-salient /1/-/r/ contrast in Japanese and Korean learners of English. Korean learners obtained much higher scores in auditory and audio-visual conditions than in the visual condition, while Japanese learners generally performed poorly in both modalities. Neither group showed evidence of audio-visual benefit. These results show the impact of the language background of the learner and visual salience of the contrast on the use of visual cues for a non-native contrast. Significant correlations between scores in the auditory and visual conditions suggest that increasing auditory proficiency in identifying a non-native contrast is linked with an increasing proficiency in using visual cues to the contrast.     

Solutions of logarithmic type for elliptic and hypoelliptic equations

LetK be an algebraically closed field withp:=char (K)>0 andX a bielliptic curve over Spec(K) with genus≥6 and such that the canonical model ofX is ordinary. In this paper we determine all the possible gap sequences of Weierstrass points on such curves.     

The law of the solution to a nonlinear hyperbolicSPDE

Let { _s,t ,(s,t ₊ ² } be a white noise on ₊ ² . We consider the hyperbolic stochastic partial differential equation {ie863-3} The purpose of this paper is to study the law of the solution to this equation. We analyze the existence and smoothness of the density using the tools of Malliavin Calculus. Finally we prove a large deviation principle on the space of continuous functions, for the family of probabilities obtained by perturbation of the noise in the equation.This work has been partially supported by the grant of the DGICYT No. PB 930052 and the EU Science project CT 910459.