Search

The present paper reports the photodegradation of a pharmaceutical pollutant, Levofloxacin, in an aqueous solution using two photocatalyst nanocomposites, g-C3N4/TiO2 and WO3/TiO2, under the influence of solar light and UV irradiation. These as-designed nano-heterostructures were synthesized using the hydrothermal method without organic templates or additives. The characterization results revealed that the used preparation method grants the purity of the prepared composites and gives a nanoscale character product. The effects of the weight ratio of g-C3N4/TiO2 and WO3/TiO2, the mass of the catalyst and the initial concentration of Levofloxacin on the photocatalytic activity were evaluated under UV light. Results showed that 5 mg/L of Levofloxacin with 20 mg of the prepared nanocomposite with a 5% weight ratio of g-C3N4 and WO3 allowed a quasi-total degradation of the pharmaceutical pollutant within only 30 min. The photocatalytic activities investigation of the prepared nanocomposites under sunlight irradiation showed that after 50 min of treatment, 66% of degradation is reached with WO3/TiO2 against 100% with g-C3N4/TiO2. The possible photocatalytic mechanism was thoroughly investigated, explaining the improved photocatalytic activity. This work demonstrates that the prepared nanocomposites' photocatalytic degradation of pharmaceutical pollutants is efficient, providing a friendly environmental strategy. [ABSTRACT FROM AUTHOR]

Presents a study reporting on the difference in the transformation process of the neutral oxygen monovacancy and the germanium lone pair center (GLPC), into electron trap centers associated with fourfold coordinated ions and Ge-E' centers. Methodology used to conduct the study; Description of the sample used; Findings of the study.

A new Bi(III) halide complex, [C 6 H 16 N 2 ] 5 Bi 2 Br 10 (BiBr 6 ) 2 ·2H 2 O has been synthesized at room temperature in the presence of 1,4-dimethylpiperazine by slow evaporation technique and characterized by physicochemical methods. It crystallizes in a triclinic centrosymmetric space group, P -1. The crystal lattice is composed of two types of anionic entities [Bi 2 Br 10 ] 4− and [BiBr 6 ] 3− surrounded by 1,4-dimethylpiperazine-1,4-diium cations and water molecules. The anionic part was found for the first time in halobismuthate(III) solid complexes. In the crystal, the components are linked by C-H…Br(Ow) and Ow-H…Br hydrogen bonds to built three-dimensional network. The vibrational absorption bands were identified by Infrared and Raman spectroscopy. The 13 C and 15 N CP-MAS NMR spectra are in agreement with the X-ray structure. Intermolecular hydrogen bonding was investigated by means of the Hirshfeld surfaces. The percentages of hydrogen bonding interactions are analyzed by Fingerprint plots of Hirshfeld surface. The optical properties of this compound were studied by UV–Vis and luminescence spectroscopy. The DSC curve shows that this compound is stable below melting point. [ABSTRACT FROM AUTHOR]

A new organic–inorganic hybrid material with the formula [C 8 H 12 N] 3 BiCl 6 has been synthesized and characterized by spectroscopic techniques and single crystal X-ray structure determination. This compound crystallizes in the non-centrosymmetric space group Pna 2 1 of the orthorhombic system with crystallographic parameters a = 25.5620(2), b = 16.7170(5), c = 7.8840(4) Å, V = 3369.0(2) Å 3 and Z = 4. Its structure consists of discrete [BiCl 6 ] 3− anions, showing the distorted octahedral geometry, surrounded by three crystallographically independent 2-phenylethylammonium cations. The crystal packing is governed by the formation of a number of N–H⋯Cl hydrogen bonds arranged in a three-dimensional network. Crystal structure analysis supported with the Hirshfeld surface and fingerprint plots enabled the identification of the significant intermolecular interactions. The 13 C and 15 N CP-MAS NMR spectra are in agreement with the X-ray structure. The optical properties of [C 8 H 12 N] 3 BiCl 6 were investigated by UV–Vis and luminescence spectroscopy. The differential scanning calorimetry (DSC) revealed that the title compound is stable up to 210 °C. [ABSTRACT FROM AUTHOR]

The new noncentrosymmetric oxalate with the general formula [CHNO](HCO)·3HO, has been synthesized and single crystals were grown from aqueous solution by slow evaporation technique. Single crystal X-ray diffraction study on grown crystal reveals that they belong to triclinic system with space group P1. The unit cell dimensions are: a = 5.688(2) Å, b = 8.315(2) Å, c = 16.634(3) Å, α = 96.63(2)°, β = 99.81(3)°, γ = 110.01(2)° with V = 715.4(3) Å and Z = 1. The structure has been solved using a direct method and refined to a reliability R factor of 0.052. The structure is built up from anionic chains parallel to the a-axis. These chains are interconnected by the organic cations and water molecules via hydrogen bonds so as to build a three dimensional arrangement. FT-IR spectrum confirms the presence of the functional groups in the synthesized material. The C CP-MAS NMR spectrum is in agreement with the X-ray structure. UV-Vis spectrum indicates that the crystal is transparent in UV and visible region with a lower cutoff wavelength of 212 nm. The DSC curve indicates that the crystal is thermally stable up to 330 K. Graphical Abstract: The molecular structure of bis( N-(2-hydroxyethyl)piperazine-1,4-diium) Tetraki s(hydrogen oxalate) Trihydrate is formed by N-(2-hydroxyethyl)piperazine-1,4-diium cations, oxalate anions and water molecules held together by means of N-H⋯O, C-H⋯O, O-H⋯OW and OW-H⋯OW(O) hydrogen bonds to form three-dimensional network.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Introduction Les manifestations dermatologiques associées à l’hépatite chronique virale C (HCC) ont été rapportées dans la littérature avec une prévalence variant de 12,7 à 45,8 %. Elles sont soit directement liées au virus ou secondaires au traitement antiviral. But Rapporter la prévalence et le type des anomalies dermatologiques observées dans une série de patients atteints d’une HCC. Patients et méthodes Revue rétrospective, sur une période de 11 ans (janvier 2002–décembre 2012) colligeant tous les patients suivis pour HCC. Nous avons retenu les patients ayant une manifestation cutanée objectivée par un médecin dermatologue. Résultats Deux cent quatre patients présentant une HCC ont été colligés durant la même période. Quarante et un parmi eux avaient une ou plusieurs atteintes cutanées. Le prurit représentait l’atteinte la plus fréquente. Il était associé à des lésions de grattage dans 17 cas. Le bilan biologique ne montrait pas de cholestase. Un eczéma était noté chez 8 malades. Il était imputable à l’interféron dans 3 cas. Un traitement dermatologique local a permis, dans tous les cas, une évolution favorable sans interruption du traitement antiviral. Chez 5 patients, il existait un purpura. L’hépatopathie était au stade de cirrhose chez 3 d’entre eux. Chez un autre malade, il existait une cryoglobulinémie mixte de type II. Un lichen plan a été diagnostiqué chez 3 patients sur les données de la biopsie cutanée et de l’IFI. L’évolution était favorable sous traitement local. Un psoriasis était noté chez 2 patients et était apparu chez l’un d’entre eux à 36 semaines de traitement. L’évolution était favorable sous corticoïdes locaux. Une patiente cirrhotique a développé à 36 semaines de traitement, des lésions du visage évocatrices d’un lupus cutané. La prise en charge a nécessité un arrêt momentané du traitement antiviral, la prescription d’antipaludéens de synthèse et de corticoïdes locaux. Après amélioration dermatologique, le traitement antiviral a pu être réintroduit et a pu conduire à une réponse virologique soutenue. Les autres manifestations cutanées rapportées étaient à type de : syndrome de Raynaud : ( n = 2), vitiligo ( n = 1), érythème noueux ( n = 1). Conclusion Les manifestations dermatologiques au cours de l’HCC sont rencontrées dans 20 % des cas. Elles sont dominées par le prurit sans cholestase biologique. Leur évolution est le plus souvent favorable grâce à un suivi dermatologique systématique et la prescription de traitements locaux. [ABSTRACT FROM AUTHOR]

DNA transposable elements and transposase-derived genes are present in most living organisms, including vertebrates, but their function is largely unknown. PiggyBac Transposable Element Derived 5 (PGBD5) is an evolutionarily conserved vertebrate DNA transposase-derived gene with retained nuclease activity in human cells. Vertebrate brain development is known to be associated with prominent neuronal cell death and DNA breaks, but their causes and functions are not well understood. Here, we show that PGBD5 contributes to normal brain development in mice and humans, where its deficiency causes disorder of intellectual disability, movement, and seizures. In mice, Pgbd5 is required for the developmental induction of post-mitotic DNA breaks and recurrent somatic genome rearrangements. In the brain cortex, loss of Pgbd5 leads to aberrant differentiation and gene expression of distinct neuronal populations, including specific types of glutamatergic neurons, which explains the features of PGBD5 deficiency in humans. Thus, PGBD5 might be a transposase-derived enzyme required for brain development in mammals., Competing Interests: Competing interests: Authors declare that they have no competing interests. AK is a consultant for Novartis, Rgenta, Blueprint, and Syndax. RR is a founder and a member of the SAB of Genotwin, and a member of the SAB of Diatech Pharmacogenetics. None of these activities are related to the work described in this manuscript.

In this investigation, our primary objective is to explore the structural, morphological, and electrical characteristics of Bi 0.75 Ba 0.25 (FeMn) 0.5 O 3 ceramic material synthesized by the sol-gel method. The prepared sample underwent synthesis through the conventional sol-gel technique. Examination through X-ray diffraction (XRD) unveiled a well-defined rhombohedral structure within the R3´C space group. Moreover, to evaluate the purity and nano-grain morphology, we utilized energy dispersive spectroscopy (EDX) and scanning electron microscopy (SEM). Electrical assessments were carried out over a frequency span of 100 Hz to 1 MHz and temperatures ranging from 200 to 340 K. Employing the correlated barrier hopping (CBH) model, we analyzed the AC conductivity of our specimen. The activation energy, determined from both DC conductivity and impedance spectra, demonstrated close correspondence, suggesting that both conductivity and r laxation processes are influenced by similar factors. Notably, the dielectric properties hold significant importance, potentially rendering our sample suitable for electronic applications. Furthermore, we calculated thermodynamic parameters, such as enthalpy (ΔH), entropy change (ΔS), and free energy of activation (ΔF), offering deeper insights into the material's behavior and conductivity mechanisms.

This study undertakes a comparative analysis of the structural, morphological, electrical, and magnetic characteristics of Fe-doped LaMnO 3 ceramics. The solid-state reaction method was used to prepare Fe-doped LaMnO 3 at different concentrations (0.00 ≤ x ≤ 1.00) and has been characterized using X-ray diffraction (XRD), Fourier transforms infrared spectroscopy (FTIR), Field emission scanning electron microscopy (FE-SEM), energy-dispersive spectroscopy (EDS), and vibrating sample magnetometry (VSM). The structural transformation from rhombohedral to orthorhombic with Fe-doping is demonstrated by Rietveld's refined XRD patterns. The positive slope in Williamsons-Hall's (W-H) plots confirms the presence of tensile strain with increasing average crystallite size. Quasi-spherical morphology of all the compositions with similar uniformity was confirmed by FESEM images. The chemical distribution of all the elements has been identified by EDS mapping images. Normal dielectric dispersion behaviour of all the samples with NTCR response is confirmed by dielectric and impedance analysis respectively. Increasing lattice volume with Fe-concentration results is increasing E a . The presence of antiferromagnetic ordering, in addition to weak ferromagnetic ordering, is indicated by the unsaturated magnetization even up to a high external field. The decrease in M S and increase in H C values due to Fe-doping reflect the influence of particle size on various magnetic parameters., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (This journal is © The Royal Society of Chemistry.)

Heterozygous RTN2 variants have been previously identified in a limited cohort of families affected by autosomal dominant spastic paraplegia (SPG12-OMIM:604805) with a variable age of onset. Nevertheless, the definitive validity of SPG12 remains to be confidently confirmed due to the scarcity of supporting evidence. In this study, we identified and validated seven novel or ultra-rare homozygous loss-of-function RTN2 variants in 14 individuals from seven consanguineous families with distal hereditary motor neuropathy (dHMN) using exome, genome and Sanger sequencing coupled with deep-phenotyping. All affected individuals (seven males and seven females, aged 9-50 years) exhibited weakness in the distal upper and lower limbs, lower limb spasticity and hyperreflexia, with onset in the first decade of life. Nerve conduction studies revealed axonal motor neuropathy with neurogenic changes in the electromyography. Despite a slowly progressive disease course, all patients remained ambulatory over a mean disease duration of 19.71 ± 13.70 years. Characterization of Caenorhabditis elegans RTN2 homologous loss-of-function variants demonstrated morphological and behavioural differences compared with the parental strain. Treatment of the mutant with an endoplasmic/sarcoplasmic reticulum Ca2+ reuptake inhibitor (2,5-di-tert-butylhydroquinone) rescued key phenotypic differences, suggesting a potential therapeutic benefit for RTN2-disorder. Despite RTN2 being an endoplasmic reticulum (ER)-resident membrane shaping protein, our analysis of patient fibroblast cells did not find significant alterations in ER structure or the response to ER stress. Our findings delineate a distinct form of autosomal recessive dHMN with pyramidal features associated with RTN2 deficiency. This phenotype shares similarities with SIGMAR1-related dHMN and Silver-like syndromes, providing valuable insights into the clinical spectrum and potential therapeutic strategies for RTN2-related dHMN., (© The Author(s) 2024. Published by Oxford University Press on behalf of the Guarantors of Brain.)

With the goal of developing a high-performance organic solar cell, nine molecules of A 2 -D-A 1 -D-A 2 type are originated in the current investigation. The optoelectronic properties of all the proposed compounds are examined by employing the DFT approach and the B3LYP functional with a 6-31G (d, p) basis set. By substituting the terminal moieties of reference molecule with newly proposed acceptor groups, several optoelectronic and photovoltaic characteristics of OSCs have been studied, which are improved to a significant level when compared with reference molecule, i.e., absorption properties, excitation energy, exciton binding energy, band gap, oscillator strength, electrostatic potential, light-harvesting efficiency, transition density matrix, open-circuit voltage, fill factor, density of states and interaction coefficient. All the newly developed molecules (P1-P9) have improved λ max , small band gap, high oscillator strengths, and low excitation energies compared to the reference molecule. Among all the studied compounds, P9 possesses the least binding energy (0.24 eV), P8 has high interaction coefficient (0.70842), P3 has improved electron mobility due to the least electron reorganization energy (λ e  = 0.009182 eV), and P5 illustrates high light-harvesting efficiency (0.7180). P8 and P9 displayed better V oc results (1.32 eV and 1.33 eV, respectively) and FF (0.9049 and 0.9055, respectively). Likewise, the phenomenon of charge transfer in the PTB7-Th/P1 blend seems to be a marvelous attempt to introduce them in organic photovoltaics. Consequently, the outcomes of these parameters demonstrate that adding new acceptors to reference molecule is substantial for the breakthrough development of organic solar cells (OSCs)., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

In this study, Cu-doped ZnO aerogel nanoparticles with a 4% copper concentration (Cu4ZO) were synthesized using a sol-gel method, followed by supercritical drying and heat treatment. The subsequent fabrication of Cu4ZO ceramics through Spark Plasma Sintering (SPS) was characterized by X-ray diffraction (XRD), field-emission gun scanning electron microscopy (FE-SEM) equipped with EDS, and impedance spectroscopy (IS) across a frequency range of 100 Hz to 1 MHz and temperatures from 270 K to 370 K. The SPS-Cu4ZO sample exhibited a hexagonal wurtzite structure with an average crystallite size of approximately 229 ± 10 nm, showcasing a compact structure with discernible pores. The EDS spectrum indicates the presence of the base elements zinc and oxygen with copper like the dopant element. Remarkably, the material displayed distinct electrical properties, featuring high activation energy values of about 0.269 ± 0.021 eV. Complex impedance spectroscopy revealed the impact of temperature on electrical relaxation phenomena, with the Nyquist plot indicating semicircular arc patterns associated with grain boundaries. As temperature increased, a noticeable reduction in the radius of these arcs occurred, coupled with a shift in their center points toward the axis center, suggesting a non-Debye-type relaxation mechanism. Dielectric analyses revealed a temperature-driven evolution of losses, emphasizing the material's conductivity impact. Non-Debye-type behavior, linked to ion diffusion, sheds light on charge storage dynamics. These insights advance potential applications in electronic devices and energy storage.

Minimizing the energy loss and improving the open circuit voltage of organic solar cells is still a primary concern for scientists working in this field. With the aim to enhance the photovoltaic performance of organic solar cells by minimizing energy loss and improving open circuit voltage, seven new acceptor molecules (LC1-LC7) are presented in this work. These molecules are designed by modifying the terminal acceptors of pre-existed "LC81" molecule based on an indacinodithiophene (IDT) fused core. The end-group modification approach is very fruitful in ameliorating the efficacy and optoelectric behavior of OSCs. The newly developed molecules presented remarkable improvements in performance-related parameters and optoelectronic properties. Among all designed molecules, LC7 exhibited the highest absorption maxima (λ max  = 869 nm) with the lowest band-gap (1.79 eV), lowest excitation energy (E x  = 1.42 eV), lowest binding energy, and highest excited state lifetime (0.41 ns). The newly designed molecules LC2, LC3, and LC4 exhibited remarkably improved Voc that was 1.84 eV, 1.82 eV, and 1.79 eV accordingly, compared to the LC81 molecule with V oc of 1.74 eV LC2 molecule showed significant improvement in fill factor compared to the previously presented LC81 molecule. LC2, LC6, and LC7 showed a remarkable reduction in energy loss by showing E loss values of 0.26 eV, 0.18 eV, and 0.25 eV than LC81 molecule (0.37 eV). These findings validate the supremacy of these developed molecules (especially LC2) as potential components of future OSCs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Inc. All rights reserved.)

Improving the charge mobility and optoelectronic properties of indacenodithiophene - based small molecule acceptors is a key challenge to improving overall efficiency. In this current research, seven newly designed molecules ( DT1-DT7 ) comprising the indacenodithiophene - based core are presented to tune energy levels, enhance charge mobility, and improve the photovoltaic performance of IDTV-ThIC molecules via density functional theory. All the molecules were designed by end-capped modification by substituting terminal acceptors of IDTV-ThIC with strong electron-withdrawing moieties. Among all the examined structures, DT1 has proved itself a superior molecule in multiple aspects, including higher λ max in chloroform (787 nm) and gaseous phase (727 nm), narrow band gap (2.16 eV), higher electron affinity (3.31 eV), least excitation energy (1.57 eV), and improved charge mobility due to low reorganization energy and higher excited state lifetime (2.37 ns) when compared to the reference (IDTV-ThIC) and other molecules. DT5 also showed remarkable improvement in different parameters, such as the lowest exciton binding energy (0.41 eV), leading to easier charge moveability. The improved open-circuit voltage of DT4 and DT5 makes them proficient molecules exhibiting the charge transfer phenomenon. The enlightened outcomes of these molecules can pave a new route to develop efficient organic solar cell devices using these molecules, especially DT1 , DT4 , and DT5 ., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

In the current study, six nonfullerene small acceptor molecules were designed by end-group modification of terminal acceptors. Density functional theory calculations of all designed molecules were performed, and optoelectronic properties were computed by employing different functionals. Every constructed molecule has a significant bathochromic shift in the maximum absorption value (λ max ) except AM6 . AM1 - AM4 molecules represented a narrow band gap ( E g ) and low excitation energy values. The AM1 - AM4 and AM6 molecules have higher electron mobility. Comparing AM2 to the reference molecule reveals that AM2 has higher hole mobilities. Compared to the reference molecule, all compounds have excellent light harvesting efficiency values compared to AM1 and AM2 . The natural transition orbital investigation showed that AM5 and AM6 had significant electronic transitions. The open-circuit voltage ( V oc ) values of the computed molecules were calculated by combining the designed acceptor molecules with PTB7-Th. In light of the findings, it is concluded that the designed molecules can be further developed for organic solar cells (OSCs) with superior photovoltaic abilities., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Pure zinc oxide nanoparticles, as well as those doped with 3% calcium, aluminum, and gallium, were synthesized using a sol-gel method and then deposited onto an alumina substrate for sensing tests. The resulting nanoparticles were characterized using a variety of techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM) equipped with energy dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), UV-VIS-NIR absorption spectroscopy, and photoluminescence (PL) measurements, to examine their structural, morphological, and optical properties. The prepared nanoparticles were found to have the hexagonal wurtzite structure of ZnO with a P 63 mC space group. The UV-Vis-IR spectra showed that the samples are highly absorbent in the UV range, while the PL spectra confirmed the presence of many defects in the ZnO structure, such as oxygen vacancies and zinc interstitials. The doped samples exhibited more defects than the pure sample. SEM images of the deposited film surface showed agglomerates with a spherical shape and confirmed the nanometer scale size of our prepared samples, as corroborated by the TEM images. The EDX spectra indicated the high purity of the ZnO deposited films, with a high presence of Zn and O and the presence of the doped elements (Ca, Al, and Ga) in each doped sample. Sensing tests were performed on ZnO, Ca 3% -doped ZnO (C3ZO), Al 3% -doped ZnO (A3ZO), and Ga 3% -doped ZnO (G3ZO) sensors in the presence of volatile organic compounds (VOCs) gases such as ethanol, formaldehyde, methanol, and acetone at low concentrations. The sensors exhibited high responses to low ppm level concentrations of the VOCs gases. At a low operational temperature of 250 °C, the C3ZO sensor had the highest response to 5 ppm of ethanol, methanol, and formaldehyde gases compared to the pure and other doped sensors. Additionally, the A3ZO sensor exhibited the highest response to acetone gas. In conclusion, our findings suggest that the doping of zinc oxide can enhance the low concentration detection of VOCs gases, with the C3ZO and A3ZO sensors showing the highest response to specific gases., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (This journal is © The Royal Society of Chemistry.)

The competence of organic solar cells (OSCs) could be enhanced by improving the light absorption capabilities as well as the open-circuit voltage (V oc ) of utilized molecules. To upgrade overall functionality of OSCs, seven new molecules were designed in this work using an end-cap alteration technique on Quinoxaline fused core-based non-fullerene acceptor (Qx-2) molecule. This technique is known to be quite advantageous in terms of improvement of the effectiveness and optoelectrical behavior of various OSCs. Critical parameters like the absorption maximum, frontier molecular orbitals, excitation energy, exciton binding energy, V oc , and fill factor of molecules were considered for the molecules thus designed. All newly designed molecules showed outstanding improvement in optoelectronic as well as performance-related properties. Out of all scrutinized molecules, Q1 exhibited highest wavelength of absorption peak (λ max  = 779 nm) with the reduced band gap (1.90 eV), least excitation energy (E x  = 1.59 eV), along with the highest dipole moment (17.982950 D). Additionally, the newly designed compounds Q4, Q5, and Q6 exhibited significantly improved V oc s that were 1.55, 1.47, and 1.50 eV accordingly, as compared to the 1.37 eV of Qx-2 molecule. These molecules also showed remarkable improvement in fill factor attributed to direct correspondence of V oc with it. Inclusively, these results support the superiority of these newly developed molecules as prospective constituents of upgraded OSCs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Inc. All rights reserved.)

In this paper, we have studied the critical behavior and the magnetocaloric effect (MCE) simulation for the La 0.75 Ca 0.1 Na 0.15 MnO 3 (LCNMO) compound at the second order ferromagnetic-paramagnetic phase transition. The optimized critical exponents, based on the Kouvel-Fisher method, were found to be: β = 0.48 and γ = 1. These obtained values supposed that the Mean Field Model (MFM) is the proper model to analyze adequately the MCE in the LCNMO sample. The isothermal magnetization M ( H , T ) and the magnetic entropy change -Δ S M ( H , T ) curves were successfully simulated using three models, namely the Arrott-Noakes equation (ANE) of state, Landau theory, and MFM. The framework of the MFM allows us to estimate magnetic entropy variation in a wide temperature range within the thermodynamics of the model and without using the usual numerical integration of Maxwell relation., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and flexibility in applications. However, developing efficient and stable non-fused ring-based OSCs is still a big challenge. In this work, with the intent to increase V oc for enhanced performance, seven new molecules derived from a pre-existing A-D-A type A3T-5 molecule are proposed. Different important optical, electronic and efficiency-related attributes of molecules are studied using the DFT approach. It is discovered that newly devised molecules possess the optimum features required to construct proficient OSCs. They possess a small band gap ranging from 2.22-2.29 eV and planar geometries. Six of seven newly proposed molecules have less excitation energy, a higher absorption coefficient and higher dipole moment than A3T-5 in both gaseous and solvent phases. The A3T-7 molecule exhibited the maximum improvement in optoelectronic properties showing the highest λ max at 697 nm and the lowest E x of 1.77 eV. The proposed molecules have lower ionization potential values, reorganization energies of electrons and interaction coefficients than the A3T-5 molecule. The V oc of six newly developed molecules is higher ( V oc ranging from 1.46-1.72 eV) than that of A3T-5 ( V oc = 1.55 eV). Similarly, almost all the proposed molecules except W6 exhibited improvement in fill factor compared to the A3T-5 reference. This remarkable improvement in efficiency-associated parameters ( V oc and FF) proves that these molecules can be successfully used as an advanced version of terthiophene-based OSCs in the future., Competing Interests: The Authors declare no conflict of interest., (This journal is © The Royal Society of Chemistry.)

In the current DFT study, seven dimethoxyl-indaceno dithiophene based semiconducting acceptor molecules (ID1-ID7) are designed computationally by modifying the parent molecule (IDR). Here, based on a DFT exploration at a carefully selected level of theory, we have compiled a list of the optoelectronic properties of ID1-ID7 and IDR. In light of these results, all newly designed molecules, except ID5 have shown a bathochromic shift in their highest absorbance ( λ max ). ID1-ID4, ID6 and ID7 molecules have smaller band gap ( E gap ) and excitation energy ( E x ). IP of ID5 is the smallest and EA of ID1 is the largest among all others. Compared to the parent molecule, ID1-ID3 have increased electron mobility, with ID1 being the most improved in hole mobility. ID4 had the best light harvesting efficiency in this investigation, due to its strongest oscillator. The acceptor molecules' open-circuit voltages ( V OC ) were computed after being linked to the PTB7-Th donor molecule. Fill factor (FF) and normalized V OC of ID1-ID7 were calculated and compared to the parent molecule. Based on the outcomes of this study, the modified acceptors may be further scrutinised for empirical usage in the production of organic solar cells with enhanced photovoltaic capabilities., Competing Interests: The authors declare no conflict of interest., (This journal is © The Royal Society of Chemistry.)

Objectives: Prior to benign prostate surgery, the patient's informed consent is mandatory. Among the multiple source of information for patients, social networks are very popular, but the quality of information delivered is unknown. The aim of this study was to evaluate the quality of the information freely available for patients on YouTube™ regarding HoLEP., Materials and Methods: The term "HOLEP" was searched on YouTube™ on December 24, 2020. Videos that were not in English, French or Arabic, specifically destined to the medical community, with no written or oral comment, patient testimonials, pure surgical technique or had content unrelated to HoLEP were excluded from the study. The patient information sheet by the French Urology Association (AFU) was used to create a list of 31 items classified into 4 categories as follows: anatomy and pathophysiology (6 items), technique and perioperative preparation (10 items), usual outcomes (10 items) and complications (5 items). For each item on the predefined list, correct, missing and incorrect information were rated respectively 1, 0 and -1., Results: Thirty-five videos met the inclusion criteria. Their average length was 6'06"±7'03" [00'20"; 31'30"], with an average number of views of 5279±17,821 [8; 87,354]. The information provided on the videos was written and oral, oral-only and written-only in 51%, 34% and 14% of cases, respectively. 23% of the videos showed surgery sequences, 40% animations and 62% a doctor speaking. Only one video had a quality score greater than 80% and 7 videos got a score below 20%., Conclusion: The information about HoLEP on YouTube™ seemed not of sufficiently high quality to allow patients to make informed decisions, and was occasionally misleading. Surgeons still have the duty to give the best quality information, and may point patients towards adequate sources of information, especially those delivered by national and international professional societies., (Copyright © 2022 Elsevier Masson SAS. All rights reserved.)

In the title hydrated salt, (C5H14N2)2[Bi2Br10]·2H2O, the com-plete [Bi2Br10](4-) biocta-hedron is generated by crystallographic inversion symmetry. The diprotonated piperazine ring adopts a chair conformation, with the methyl group occupying an equatorial position. In the crystal, the tetra-anions and water mol-ecules are linked by O-H⋯Br and O-H⋯(Br,Br) hydrogen bonds to generate [100] chains. The chains are crosslinked by N-H⋯Br, N-H⋯O and C-H⋯Br hydrogen bonds originating from the piperazinediium dications, thereby forming a three-dimensional network.

In the crystal structure of the title compound, C5H14N2 (2+)·2HC2O4 (-), the two crystallographically independent hydrogen oxalate anions are linked by strong inter-molecular O-H⋯O hydrogen bonds, forming two independent corrugated chains parallel to the b axis. These chains are further connected by N-H⋯O and C-H⋯O hydrogen bonds originating from the organic cations, forming a three-dimensional network. The diprotonated piperazine ring adopts a chair conformation, with the methyl group occupying an equatorial position.

In the title mol-ecular salt, (C3H12N2)[CrO4], each chromate anion accepts six N-H⋯O and C-H⋯O hydrogen bonds from nearby propane-1,2-di-ammonium cations. Three of the four O atoms of the chromate anion accept these bonds; the remaining Cr-O bond length is notably shorter than the others. In the crystal, the anions and cations stack in layers lying parallel to (100): the hydrogen-bonding pattern leads to a three-dimensional network.

Chlamydia are obligate intracellular pathogens. Upon contact with the host, they use type III secretion to deliver proteins into the cell, thereby triggering actin-dependent entry and establishing the infection. We observed that Chlamydia caviae elicited a local and transient accumulation of ubiquitinated proteins at the entry sites, which disappeared within 20 min. We investigated the mechanism for the rapid clearance of ubiquitin. We showed that the OTU-like domain containing protein CCA00261, predicted to have deubiquitinase activity, was detected in infectious particles and was a type III secretion effector. This protein is present in several Chlamydia strains, including the human pathogen Chlamydia pneumoniae, and we further designate it as ChlaOTU. We demonstrated that ChlaOTU bound ubiquitin and NDP52, and we mapped these interactions to distinct domains. NDP52 was recruited to Chlamydia entry sites and was dispensable for infection and for bacterial growth. ChlaOTU functioned as a deubiquitinase in vitro. Heterologousexpression of ChlaOTU reduced ubiquitin accumulation at the entry sites, while a catalytic mutant of the deubiquitinase activity had the opposite effect. Altogether, we have identified a novel secreted protein of chlamydiae. ChlaOTU targets both ubiquitin and NDP52 and likely participates in the clearance of ubiquitin at the invasion sites., (© 2013 John Wiley & Sons Ltd.)

In the title salt, C2H5N4 (+)·C2HO4 (-), the hydrogen oxalate anions form corrugated chains parallel to the c axis, linked by inter-molecular O-H⋯O hydrogen bonds. The 5-amino-1H-1,2,4-triazol-4-ium cations are connected into centrosymmetric clusters via weak C-H⋯N hydrogen bonds forming nine-membered rings with an R 3 (3)(9) motif. These clusters are inter-connected via anions through N-H⋯O hydrogen bonds, building a three-dimensional network.

In the crystal structure of the title compound, C8H8N4O5·H2O, the organic and lattice water mol-ecules are linked together via N-H⋯O and O-H⋯O hydrogen bonds. A C-H⋯O inter-action is also observed between the organic mol-ecules. These hydrogen bonds and inter-actions lead to the formation of a three-dimensional network. An intra-molecular N-H⋯O hydrogen bond also occurs. The dihedral angle between the acetyl group and the almost planar hydrazide moiety [maximum deviation from the least-squares plane is 0.209 (2) Å for one of the nitro O atoms] is 88.5 (3)°.

Water expulsion by the contractile vacuole (CV) in Dictyostelium is carried out by a giant kiss-and-run focal exocytic event during which the two membranes are only transiently connected but do not completely merge. We present a molecular dissection of the GTPase Rab8a and the exocyst complex in tethering of the contractile vacuole to the plasma membrane, fusion, and final detachment. Right before discharge, the contractile vacuole bladder sequentially recruits Drainin, a Rab11a effector, Rab8a, the exocyst complex, and LvsA, a protein of the Chédiak-Higashi family. Rab8a recruitment precedes the nucleotide-dependent arrival of the exocyst to the bladder by a few seconds. A dominant-negative mutant of Rab8a strongly binds to the exocyst and prevents recruitment to the bladder, suggesting that a Rab8a guanine nucleotide exchange factor activity is associated with the complex. Absence of Drainin leads to overtethering and blocks fusion, whereas expression of constitutively active Rab8a allows fusion but blocks vacuole detachment from the plasma membrane, inducing complete fragmentation of tethered vacuoles. An indistinguishable phenotype is generated in cells lacking LvsA, implicating this protein in postfusion detethering. Of interest, overexpression of a constitutively active Rab8a mutant reverses the lvsA-null CV phenotype.

The title compound, C(10)H(15)N(2) (+)·H(2)PO(4) (-), is built up from 4-phenyl-piperazin-1-ium cations and dihydrogen phosphate anions. The inter-connection between two adjacent anions is assured by two strong O-H⋯O hydrogen bonds, which lead to the formation of infinite wave-like chains which spread along the a axis. The organic cations connect these chains via N-H⋯O hydrogen bonds. The crystal cohesion and stability are ensured by electrostatic and van der Waals inter-actions which, together with N-H⋯O and O-H⋯O hydrogen bonds, build up a two-dimensional network.

Introduction: Diabetic retinopathy is one of the diabetic microangiopathy complications generally occurring after insulin-dependent diabetes has evolved for a few years., Observation: We report a 24-year-old pregnant woman with severe proliferative diabetic retinopathy discovered at the time of the gestational diabetes diagnosis. Argon laser photocoagulation of retinal ischemic territories was initiated. The disease progressed to vitreous haemorrhage in the right eye., Discussion: Proliferative diabetic retinopathy is exceptionally present at the time of the gestational diabetes. We did not find any similar case in the literature., Conclusion: Fundus examination seems necessary at the onset of gestational diabetes. It can prevent blindness in young women.

Background: Non alcohol steatohepatitis is an acquired chronic hepatopathy frequently of metabolic origin. Histopathologically, it is characterised by a steatosis associated with necrotic inflammatory lesions mimicking alcohol hepatitis. This disease is complicated by cirrhosis in 15 at 30% of cases and by hepatocellular carcinoma in 13% of cases. The aim of our study was to evaluate the clinico-epidemiological features of this disease and the histopathological degree of hepatic failure., Methods: 9 cases of non alcohol steatohepatitis are diagnosed in our hospital in 3 years between 2001 to 2004. The clinical features of patients were determined. The aspect and extent of steatosis was noted and the degree of the necrotical activity was evaluated by the Lee score., Results: We observed strong women prevalence with a sex-ratio of 0.125 and a high frequency between 40 and 60 years. Obesity and diabetes are the most common metabolic disorders encountered in our series. In opposition to published cases, a hepatomegaly and signs of portal hypertension are the most frequent clinical lesions noted in our study. Histopathological evaluation of Lee score finds a mild to moderate activity and fibrosis in nearly all our cases. One case of cirrhosis is noted.

Many authors suggest the role of hepatitis C virus (HCV) infection in the pathology of B-cell non Hodgkin's lymphomas; this is based on epidemiological, physiopathological and therapeutic arguments. The frequency of the association with hepatitis C virus infection is variable in the different study (1 to 30%). We report two cases of hepatitis C virus infection in association with non Hodgkin's lymphomas. The first case presented a low grad splenic and nodal non-Hodgkin's lymphoma associated with hepatitis C virus infection and complicated by hepato-cellular carcinoma. The second case presented a high grad nodal non-Hodgkin's lymphoma associated with HCV infection. Our cases report confirms the hypothesis of a key role of hepatitis C virus in the pathogenesis of B-cell lymphoproliferative disorders and in particular the non-Hodgkin's lymphoma. Although of several hypothesis concerning the ethiopathogenic mechanisms of this association, new studies will necessary to improve the real mechanism of this association

The "Dsl1p complex" in Saccharomyces cerevisiae, consisting of Dsl1p and Tip20p, is involved in Golgi-ER retrograde transport and it is functionally conserved from yeast to mammalian cells. To further characterize this complex, we analyzed the function of Dsl3p, a protein that interacts with Dsl1p in yeast two hybrids screens. DSL3, recently identified in a genome wide analysis of essential genes as SEC39, encodes a cytosolic protein of 82 kDa that is peripherally associated with membranes derived from the ER. There is strong genetic interaction between DSL3 and other factors required for Golgi-ER retrograde transport. Size exclusion chromatography and affinity purification approaches confirmed that Dsl3p is associated with subunits of the "Dsl1p complex." The complex also includes the Q/t-SNARE proteins, Use1p, Sec20p, and Ufe1p, integral membrane proteins that constitute the trimeric acceptor for R/v-SNAREs on Golgi-derived vesicles at the ER. Using mutants, we performed a detailed analysis of interactions between subunits of the Dsl1p complex and the ER-localized SNARE proteins. This analysis showed that both Dsl1p and Dsl3p are required for the stable interaction of the SNARE Use1p with a central subcomplex consisting of Tip20p and the SNARE proteins Ufe1p and Sec20p.

The goal of our survey is to value the microscopic colitis frequency at 150 patients, colliged on a period of 6 years (1997-2003), that have a chronic diarrhea with a normal total coloscopy and that benefitted of systematic biopsies. The microscopic colitis has been recovered at 44 patients on 150 either 29.3%. 16 of our patients (37%) are put on Salazopyrine, they answered well to the treatment with a receding of 3 years. The microscopic colitis is a pathology whose frequency seems under valued, it is certainly benign but can give a frequent diarrhea requiring a curative treatment.

Carcinoïdeses gastric tumors represent 0.3% of the gastric tumors. We bring back 3 observations of carcinoïdeses gastric tumors whose surgical treatment was not possible that at a patient aged of 30 years. The evolution was favorable with 3 years of receding. The treatment of carcinoïdeses gastric tumors remains essentially surgical but the sporadic shapes that are most aggressive require a more vigorous therapeutic attitude.

Reports of an association between epilepsy and coeliac disease (CD) are not new. Chapmann reported a prevalence of epilepsy in CD of 5.5% and accepted a figure of 0.5% for the community. Prevalence of coeliac disease among epileptic patients is not well established. The aim of this study is to determine the prevalence of CD in epileptic patients for this 49 epileptic patients (31 male and 28 female) were selected between January 96 et June 99 to underwent fibroscopy with intestinal biopsy. Anti body to gluten were measured in most patients. The patients with villous atrophy underwent cranial computed tomography. 4 of 49 patients (8.1%) were identified as having coeliac disease on the basis of a flat intestinal mucosa with increasing of LIE. 2 among this 4 patients had recurrent diarrhea. Any patient showed cerebral calcification associated with epilepsy and CD. Only one patient among 4, followed a gluten free-diet with a significant reduction in seizure frequency. This suggest that CD should be ruled out in all case of epilepsy of unexplained origin.