Structural, magnetic and vibrational characterization of the new organic-inorganic hybrid material, (C9H14N)2CoCl4

A new organic–inorganic hybrid material, bis (N, N-dimethylbenzylammonium) tetrachlorocobaltate (II), (C9H14N)2 CoCl4 was synthesized and analyzed by X-ray diffraction. Magnetization was used to investigate the magnetic properties. The structure was determined at room temperature in the triclinic space group P-1 with the following parameters: a = 10.491 (5)Å, b = 14.207 (2)Å, c = 16.187 (3)Å, α = 87.76 (3)°, β = 88.436 (8)°, γ = 89.897 (10)° and Z = 2. The structure can be described by the alternation of organic-inorganic layers parallel to (110) plan. The different components are connected by the Nsingle bondH⋯Cl hydrogen bonds between the cation and the anionic group [CoCl4]2-. Raman and infrared spectra were used to gain more information of the title compound. An assignment of the observed vibration modes is reported. This compound exhibits an antiferromagnetic (AFM) to paramagnetic (PM) phase transition at a temperature (TN) lower than 2 K. The values of paramagnetic Curie–Weiss temperature θCW, the nearest neighbor interaction Jnn, the classical nearest neighbor J cl and the dipolar Dnn interactions’ emphasize the existence of an antiferromagnetic interaction between the neighboring cobalt ions.publishe

Investigating the structural, morphological, dielectric and electric properties of the multiferroic (La0.8Ca0.2)0.9Bi0.1FeO3 material

The (La0.8Ca0.2)0.9Bi0.1FeO3 (LCBFO) compound has been synthesized by the sol-gel method and characterized by X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM), Raman spectroscopy and electrical impedance spectrometry. XRD results revealed that (La0.8Ca0.2)0.9Bi0.1FeO3 crystals are orthorhombic, belonging to the Pnma space group. The SEM measurements showed that the sample presents a large distribution of nano-grains connected to each other. The relaxation process and the electrical conductivity are awarded to the same type of charge carriers characterized by similar values of the activation energy determined from loss factor tangent tg δ( ), the imaginary part of the permittivity and from the Modulus spectrum. The ac-conductivity was analysed to examine the conduction mechanism, using the Jonscher’s universal power-law given by: = +σ ω σ Aω( )ac dc s. Based on the parameter s behavior, the conductivity was studied according to the NSPT model (non-overlapping small polaron tunneling).publishe

Investigación preliminar sobre los posibles efectos del tratamiento con arcilla mineral aplicado a aceites producidos a partir de aceitunas: enfoque sobre la eliminación de humedad y cambios en la composición

In this preliminary study, two non-filtered virgin olive oils (one freshly produced VOO-N; one VOO-O stored for one year) were subjected to moisture removal with mineral clay (raw or activated) and analyses were performed to attest possible effects on the quality of the product. The results demonstrated that the treatment of oil with mineral clay at 36-38 °C had no negative effect on the basic quality parameters or on the volatile comound profile. On the other hand, a significant decrease in the water amount as well as in pigments was observed in the samples subjected to this kind of treatment, in particular with raw clay. Regarding the colour measurement, the lightness (L) as well as the consumers’ acceptability exhibited a marked increase when oils were treated with raw clay.En este estudio preliminar, dos aceites de oliva vírgenes no filtrados (uno VOO-N recién producido y el otro, VOO-O almacenado durante un año) fueron sometidos a la eliminación del contenido de humedad con arcilla mineral (cruda o activada) y se realizaron análisis para atestiguar posibles efectos sobre la calidad del producto. Los resultados demostraron que el tratamiento del aceite con arcilla mineral, realizado a 36-38 °C, no tuvo consecuencias negativas en los parámetros básicos de calidad y en el perfil de los compuestos volátiles. Por otro lado, se observó una disminución significativa en la cantidad de agua y en los pigmentos en las muestras sometidas a este tipo de tratamiento, en particular con arcilla cruda. Con respecto a la medida del color, luminosidad (L) y aceptabilidad de los consumidores mostraron un aumento notable cuando los aceites se trataron con arcilla cruda

Preliminary investigation of possible effects of mineral clay treatment applied to oils produced from olives: Focus on moisture removal and compositional changes

In this preliminary study, two non-filtered virgin olive oils (one freshly produced VOO-N; one VOO-O stored for one year) were subjected to moisture removal with mineral clay (raw or activated) and analyses were performed to attest possible effects on the quality of the product. The results demonstrated that the treatment of oil with mineral clay at 36-38 °C had no negative effect on the basic quality parameters or on the volatile comound profile. On the other hand, a significant decrease in the water amount as well as in pigments was observed in the samples subjected to this kind of treatment, in particular with raw clay. Regarding the colour measurement, the lightness (L) as well as the consumers' acceptability exhibited a marked increase when oils were treated with raw clay

Oil quality and aroma composition of 'Chemlali' olive trees (Olea europaea L.) under three irrigation regimes

The present work focused on the chemical composition of monovarietal virgin olive oil from the cultivar Chemlali cultivated in the South of Tunisia: sub-arid zone under three different irrigation regimes: stressed, moderate and well irrigation treatment with the restitution of 50, 75 and 100% of crop evapotranspiration (ETc), respectively. Quality characteristics (acidity and peroxide value) and chemical data (antioxidant compound, fatty acids volatile compounds and oxidative stability) were studied in addition to the pomological characteristic of olive fruit. Results show that there were significant differences observed in oil composition according to the irrigation regime applied. Total phenols, bitterness intensity and LOX products content showed the highest values for low irrigation regime, whereas polyunsaturated fatty acid and oxidative susceptibility values had highest values for olive oil from well irrigated trees. Analytic characteristic of fruits showed the highest values of pulp/stone ratios from olive trees irrigated by the highest amount of wate

A Comprehensive Study of N-Butyl-1H-Benzimidazole

Imidazole derivatives have found wide application in organic and medicinal chemistry. In particular, benzimidazoles have proven biological activity as antiviral, antimicrobial, and antitumor agents. In this work, we experimentally and theoretically investigated N-Butyl-1H-benzimidazole. It has been shown that the presence of a butyl substituent in the N position does not significantly affect the conjugation and structural organization of benzimidazole. The optimized molecular parameters were performed by the DFT/B3LYP method with 6-311++G(d,p) basis set. This level of theory shows excellent concurrence with the experimental data. The non-covalent interactions that existed within our compound N-Butyl-1H-benzimidazole were also analyzed by the AIM, RDG, ELF, and LOL topological methods. The color shades of the ELF and LOL maps confirm the presence of bonding and non-bonding electrons in N-Butyl-1H-benzimidazole. From DFT calculations, various methods such as molecular electrostatic potential (MEP), Fukui functions, Mulliken atomic charges, and frontier molecular orbital (HOMO-LUMO) were characterized. Furthermore, UV-Vis absorption and natural bond orbital (NBO) analysis were calculated. It is shown that the experimental and theoretical spectra of N-Butyl-1H-benzimidazole have a peak at 248 nm; in addition, the experimental spectrum has a peak near 295 nm. The NBO method shows that the delocalization of the aσ-electron from σ (C1–C2) is distributed into antibonding σ* (C1–C6), σ* (C1–N26), and σ* (C6–H11), which leads to stabilization energies of 4.63, 0.86, and 2.42 KJ/mol, respectively. Spectroscopic investigations of N-Butyl-1H-benzimidazole were carried out experimentally and theoretically to find FTIR vibrational spectra. © 2022 by the authors

Prospective study of the primary evaluation of 1016 horses with clinical signs of abdominal pain by veterinary practitioners, and the differentiation of critical and non‑critical cases

Background: The majority of research on the evaluation of horses with colic is focused on referral hospital populations. Early identification of critical cases is important to optimise outcome and welfare. The aim of this prospective study was to survey the primary evaluation of horses with clinical signs of abdominal pain by veterinary practitioners, and compare the initial presentation of critical and non-critical cases. Results: Data from 1016 primary evaluations of horses presenting with clinical signs of colic were submitted by 167 veterinary practitioners across the United Kingdom over a 13 month period. The mean age of the study population was 13.5 years (median 12.0, range 0–42). Mean heart rate on primary presentation was 47 beats/min (median 44, range 18–125), mean respiratory rate was 20 breaths/min (median 16, range 6–100), and median gastrointestinal auscultation score (0–12, minimum–maximum) was 5 (range 0–12). Clinical signs assessed using a behavioural severity score (0–17, minimum–maximum), were between 0 and 6 in 70.4 % of cases, and 7 12 for 29.6 % of cases. Rectal examination was performed in 73.8 % of cases. Cases that responded positively to simple medical treatment were categorised retrospectively as ‘non-critical’; cases that required intensive medical treatment, surgical intervention, died or were euthanased were categorised as ‘critical’. Eight-hundred-and-twenty- two cases met these criteria; 76.4 % were ‘non-critical’ and 23.6 % were ‘critical’. Multivariable logistic regression was used to identify features of the clinical presentation associated with critical cases. Five variables were retained in the final multivariable model: combined pain score: (OR 1.19, P 2.5 s (OR 3.21, P = 0.046, 95 % CI 1.023–10.09), weak pulse character (OR 2.90, P = 0.004, 95 % CI 1.39–5.99) and absence of gut sounds in ≥1 quadrant (OR 3.65, P < 0.001, 95 % CI 2.08–6.41). Conclusions: This is the first study comparing the primary presentation of critical and non-critical cases of abdominal pain. Pain, heart rate, gastrointestinal borborygmi and simple indicators of hypovolaemia were significant indicators of critical cases, even at the primary veterinary examination, and should be considered essential components of the initial assessment and triage of horses presenting with colic

Computer-Assisted Classification Patterns in Autoimmune Diagnostics: The AIDA Project

Antinuclear antibodies (ANAs) are significant biomarkers in the diagnosis of autoimmune diseases in humans, done by mean of Indirect ImmunoFluorescence (IIF)method, and performed by analyzing patterns and fluorescence intensity. This paper introduces the AIDA Project (autoimmunity: diagnosis assisted by computer) developed in the framework of an Italy-Tunisia cross-border cooperation and its preliminary results. A database of interpreted IIF images is being collected through the exchange of images and double reporting and a Gold Standard database, containing around 1000 double reported images, has been settled. The Gold Standard database is used for optimization of aCAD(Computer AidedDetection) solution and for the assessment of its added value, in order to be applied along with an Immunologist as a second Reader in detection of autoantibodies. This CAD system is able to identify on IIF images the fluorescence intensity and the fluorescence pattern. Preliminary results show that CAD, used as second Reader, appeared to perform better than Junior Immunologists and hence may significantly improve their efficacy; compared with two Junior Immunologists, the CAD system showed higher Intensity Accuracy (85,5% versus 66,0% and 66,0%), higher Patterns Accuracy (79,3% versus 48,0% and 66,2%), and higher Mean Class Accuracy (79,4% versus 56,7% and 64.2%)