bluuebunny/crossref_metadata_2025 huggingface dataset:
Risk of malignancy in patients with psoriasis according to treatment modalities in Korea: a nationwide cohort study
Authors: Hong Ji Youn , Ahn Juhee , Won Sungho , Kim Sung Min , Cho Young Ah , Kim Chang Yong , Sung Jae Young , Yu Da-Ae , Lee Yang Won , Choe Yong Beom
Published: November 2022

Intrinsic immunologic disparity of psoriasis itself, along with chronic inflammation and immunomodulatory anti-psoriatic treatments could be associated with increased risk of malignancy. We aimed to estimate the risk of malignancy in patients with psoriasis by treatment modality compared with that in individuals without psoriasis in Korea. We conducted a nationwide cohort study using the claims database of the National Health Insurance Service from January 2005 to December 2018. A total of 255,471 patients with psoriasis, and age- and sex-matched non-psoriasis participants (1:1 ratio) were enrolled. The adjusted hazard ratios (aHRs) [95% confidence intervals (CIs)] for malignancy without nonmelanoma skin cancer (NMSC) were 1.10 [1.08–1.12] in patients with psoriasis, 1.13 [1.00–1.27], 1.05 [0.97–1.13], and 1.24 [0.84–1.83] in phototherapy, non-biologic systemics, and biologics cohort, respectively. Among the non-biologic systemics cohort, patients treated with cyclosporin showed higher risk of malignancy without NMSC (aHR [95% CI], 1.20 [1.04–1.39]). The risk of malignancy without NMSC in patients with psoriasis was higher than that in individuals without psoriasis. Phototherapy and biologics were not associated with significant increase of risk; however, cyclosporin appeared to increase its risk. Dermatologists should be vigilant about this potential risk while managing patients with psoriasis.
Spatiotemporal drought analysis in Bangladesh using the standardized precipitation index (SPI) and standardized precipitation evapotranspiration index (SPEI)
Authors: Kamruzzaman Mohammad , Almazroui Mansour , Salam M. A. , Mondol Md Anarul Haque , Rahman Md. Mizanur , Deb Limon , Kundu Palash Kumar , Zaman Md. Asad Uz , Islam Abu Reza Md. Towfiqul
Published: November 2022

Countries depending on small-scale agriculture, such as Bangladesh, are susceptible to climate change and variability. Changes in the frequency and intensity of drought are a crucial aspect of this issue and the focus of this research. The goal of this work is to use SPI (standardized precipitation index) and SPEI (standardized precipitation evapotranspiration index) to investigate the differences in drought characteristics across different physiognomy types in Bangladesh and to highlight how drought characteristics change over time and spatial scales when considering different geomorphologies. This study used monthly precipitation and temperature data from 29 metrological stations for 39 years (1980–2018) for calculating SPI and SPEI values. To determine the significance of drought characteristic trends over different temporal and spatial scales, the modified Mann–Kendall trend test and multivariable linear regression (MLR) techniques were used. The results are as follows: (1) Overall, decreasing dry trend was found in Eastern hill regions, whereas an increasing drought trends were found in the in the rest of the regions in all time scaless (range is from − 0.08 decade−1 to − 0.15 decade−1 for 3-month time scale). However, except for the one-month time scale, the statistically significant trend was identified mostly in the north-central and northeast regions, indicating that drought patterns migrate from the northwest to the center region. (2) SPEI is anticipated to be better at capturing dry/wet cycles in more complex regions than SPI. (3) According to the MLR, longitude and maximum temperature can both influence precipitation. (4) Drought intensity increased gradually from the southern to the northern regions (1.26–1.56), and drought events occurred predominantly in the northwestern regions (27–30 times), indicating that drought meteorological hotspots were primarily concentrated in the Barind Tract and Tista River basin over time. Findings can be used to improve drought evaluation, hazard management, and application policymaking in Bangladesh. This has implications for agricultural catastrophe prevention and mitigation.
Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5
Authors: Islam Md. Saiful , Markoulides Marios , Chowdhury Rasheduzzaman , Schofield Christopher J.
Published: November 2022

JmjC (Jumonji-C) domain-containing 5 (JMJD5) plays important roles in circadian regulation in plants and humans and is involved in embryonic development and cell proliferation. JMJD5 is a 2-oxoglutarate (2OG) and Fe(II) dependent oxygenase of the JmjC subfamily, which includes histone Nε-methyl lysine-demethylases (KDMs) and hydroxylases catalysing formation of stable alcohol products. JMJD5 is reported to have KDM activity, but has been shown to catalyse C-3 hydroxylation of arginine residues in sequences from human regulator of chromosome condensation domain-containing protein 1 (RCCD1) and ribosomal protein S6 (RPS6) in vitro. We report crystallographic analyses of human JMJD5 complexed with 2OG analogues, including the widely used hypoxia mimic pyridine-2,4-dicarboxylate, both D- and L-enantiomers of the oncometabolite 2-hydroxyglutarate, and a cyclic N-hydroxyimide. The results support the assignment of JMJD5 as a protein hydroxylase and reveal JMJD5 has an unusually compact 2OG binding pocket suitable for exploitation in development of selective inhibitors. They will be useful in the development of chemical probes to investigate the physiologically relevant roles of JMJD5 in circadian rhythm and development and explore its potential as a medicinal chemistry target.
Wild microbiomes of striped plateau lizards vary with reproductive season, sex, and body size
Authors: Bunker Marie E. , Arnold A. Elizabeth , Weiss Stacey L.
Published: November 2022

Long-term studies of animal microbiomes under natural conditions are valuable for understanding the effects of host demographics and environmental factors on host-associated microbial communities, and how those effects interact and shift over time. We examined how the cloacal microbiome of wild Sceloporus virgatus (the striped plateau lizard) varies under natural conditions in a multi-year study. Cloacal swabs were collected from wild-caught lizards across their entire active season and over three years in southeastern Arizona, USA. Analyses of 16S rRNA data generated on the Illumina platform revealed that cloacal microbiomes of S. virgatus vary as a function of season, sex, body size, and reproductive state, and do so independently of one another. Briefly, microbial diversity was lowest in both sexes during the reproductive season, was higher in females than in males, and was lowest in females when they were vitellogenic, and microbiome composition varied across seasons, sexes, and sizes. The pattern of decreased diversity during reproductive periods with increased sociality is surprising, as studies in other systems often suggest that microbial diversity generally increases with sociality. The cloacal microbiome was not affected significantly by hibernation and was relatively stable from year to year. This study highlights the importance of long term, wide-scale microbiome studies for capturing accurate perspectives on microbiome diversity and composition in animals. It also serves as a warning for comparisons of microbiomes across species, as each may be under a different suite of selective pressures or exhibit short-term variation from external or innate factors, which may differ in a species-specific manner.
Reduced order modeling for flow and transport problems with Barlow Twins self-supervised learning
Authors: Kadeethum Teeratorn , Ballarin Francesco , O’Malley Daniel , Choi Youngsoo , Bouklas Nikolaos , Yoon Hongkyu
Published: November 2022

We propose a unified data-driven reduced order model (ROM) that bridges the performance gap between linear and nonlinear manifold approaches. Deep learning ROM (DL-ROM) using deep-convolutional autoencoders (DC–AE) has been shown to capture nonlinear solution manifolds but fails to perform adequately when linear subspace approaches such as proper orthogonal decomposition (POD) would be optimal. Besides, most DL-ROM models rely on convolutional layers, which might limit its application to only a structured mesh. The proposed framework in this study relies on the combination of an autoencoder (AE) and Barlow Twins (BT) self-supervised learning, where BT maximizes the information content of the embedding with the latent space through a joint embedding architecture. Through a series of benchmark problems of natural convection in porous media, BT–AE performs better than the previous DL-ROM framework by providing comparable results to POD-based approaches for problems where the solution lies within a linear subspace as well as DL-ROM autoencoder-based techniques where the solution lies on a nonlinear manifold; consequently, bridges the gap between linear and nonlinear reduced manifolds. We illustrate that a proficient construction of the latent space is key to achieving these results, enabling us to map these latent spaces using regression models. The proposed framework achieves a relative error of 2% on average and 12% in the worst-case scenario (i.e., the training data is small, but the parameter space is large.). We also show that our framework provides a speed-up of $$7 \times 10^{6}$$

7
×

10
6

times, in the best case, and $$7 \times 10^{3}$$

7
×

10
3

times on average compared to a finite element solver. Furthermore, this BT–AE framework can operate on unstructured meshes, which provides flexibility in its application to standard numerical solvers, on-site measurements, experimental data, or a combination of these sources.
The spatial and temporal reconstruction of a medieval moat ecosystem
Authors: Antczak-Orlewska Olga , Okupny Daniel , Kruk Andrzej , Bailey Richard Ian , Płóciennik Mateusz , Sikora Jerzy , Krąpiec Marek , Kittel Piotr
Published: November 2022

Moats and other historical water features had great importance for past societies. The functioning of these ecosystems can now only be retrieved through palaeoecological studies. Here we aimed to reconstruct the history of a stronghold’s moat during its period of operation. Our spatio-temporal approach allowed mapping of the habitat changes within a medieval moat for the first time. Using data from four cores of organic deposits taken within the moat system, we describe ecological states of the moat based on subfossil Chironomidae and Ceratopogonidae assemblages. We found that over half (57%) of the identified dipteran taxa were indicative of one of the following ecological states: limnetic conditions with or without periodic water inflow, or marshy conditions. Samples representing conditions unfavourable for aquatic insects were grouped in a separate cluster. Analyses revealed that the spatio-temporal distribution of midge assemblages depended mostly on depth differences and freshwater supply from an artificial channel. Paludification and terrestrialization did not happen simultaneously across the moat system, being greatly influenced by human activity. The results presented here demonstrate the importance of a multi-aspect approach in environmental archaeology, focusing not only on the human environment, but also on the complex ecology of the past ecosystems.
Combination of esomeprazole and pirfenidone enhances antifibrotic efficacy in vitro and in a mouse model of TGFβ-induced lung fibrosis
Authors: Ebrahimpour Afshin , Ahir Manisha , Wang Min , Jegga Anil G. , Bonnen Mark D. , Eissa N. Tony , Montesi Sydney B. , Raghu Ganesh , Ghebre Yohannes T.
Published: November 2022

Idiopathic pulmonary fibrosis (IPF) is a progressive and fatal lung disease of unknown etiology. Currently, pirfenidone and nintedanib are the only FDA-approved drugs for the treatment of IPF and are now the standard of care. This is a significant step in slowing down the progression of the disease. However, the drugs are unable to stop or reverse established fibrosis. Several retrospective clinical studies indicate that proton pump inhibitors (PPIs; FDA-approved to treat gastroesophageal reflux) are associated with favorable outcomes in patients with IPF, and emerging preclinical studies report that PPIs possess antifibrotic activity. In this study, we evaluated the antifibrotic efficacy of the PPI esomeprazole when combined with pirfenidone in vitro and in vivo. In cell culture studies of IPF lung fibroblasts, we assessed the effect of the combination on several fibrosis-related biological processes including TGFβ-induced cell proliferation, cell migration, cell contraction, and collagen production. In an in vivo study, we used mouse model of TGFβ-induced lung fibrosis to evaluate the antifibrotic efficacy of esomeprazole/pirfenidone combination. We also performed computational studies to understand the molecular mechanisms by which esomeprazole and/or pirfenidone regulate lung fibrosis. We found that esomeprazole significantly enhanced the anti-proliferative effect of pirfenidone and favorably modulated TGFβ-induced cell migration and contraction of collagen gels. We also found that the combination significantly suppressed collagen production in response to TGFβ in comparison to pirfenidone monotherapy. In addition, our animal study demonstrated that the combination therapy effectively inhibited the differentiation of lung fibroblasts into alpha smooth muscle actin (αSMA)-expressing myofibroblasts to attenuate the progression of lung fibrosis. Finally, our bioinformatics study of cells treated with esomeprazole or pirfenidone revealed that the drugs target several extracellular matrix (ECM) related pathways with esomeprazole preferentially targeting collagen family members while pirfenidone targets the keratins. In conclusion, our cell biological, computational, and in vivo studies show that the PPI esomeprazole enhances the antifibrotic efficacy of pirfenidone through complementary molecular mechanisms. This data supports the initiation of prospective clinical studies aimed at repurposing PPIs for the treatment of IPF and other fibrotic lung diseases where pirfenidone is prescribed.
Organically surface engineered mesoporous silica nanoparticles control the release of quercetin by pH stimuli
Authors: Saputra Ozi Adi , Lestari Windy Ayu , Kurniansyah Viardi , Lestari Witri Wahyu , Sugiura Takashi , Mukti Rino R. , Martien Ronny , Wibowo Fajar Rakhman
Published: November 2022

Controlling the premature release of hydrophobic drugs like quercetin over physiological conditions remains a challenge motivating the development of smart and responsive drug carriers in recent years. This present work reported a surface modification of mesoporous silica nanoparticles (MSN) by a functional compound having both amines (as a positively charged group) and carboxylic (negatively charged group), namely 4-((2-aminoethyl)amino)-4-oxobut-2-enoic acid (AmEA) prepared via simple mechanochemistry approach. The impact of MSN surface modification on physical, textural, and morphological features was evaluated by TGA, N2 adsorption–desorption, PSA-zeta, SEM, and TEM. The BET surface area of AmEA-modified MSN (MSN-AmEA) was found to be 858.41 m2 g−1 with a pore size of 2.69 nm which could accommodate a high concentration of quercetin 118% higher than MSN. In addition, the colloidal stability of MSN-AmEA was greatly improved as indicated by high zeta potential especially at pH 4 compared to MSN. In contrast to MSN, MSN-AmEA has better in controlling quercetin release triggered by pH, thanks to the presence of the functional groups that have a pose-sensitive interaction hence it may fully control the quercetin release, as elaborated by the DFT study. Therefore, the controlled release of quercetin over MSN-AmEA verified its capability of acting as a smart drug delivery system.
The debate on the earthquake magnitude correlations: a meta-analysis
Authors: Petrillo Giuseppe , Zhuang Jiancang
Published: November 2022

Among the most important questions that await an answer in seismology, perhaps one is whether there is a correlation between the magnitudes of two successive seismic events. The answer to this question is considered of fundamental importance given the potential effect in forecasting models, such as Epidemic Type Aftershock Sequence models. After a meta-analysis of 29 papers, we speculate that given the lack of studies carried out with realistic physical models and given the possible bias due to the lack of events recorded in the experimental seismic catalogs, important improvements are necessary on both fronts to be sure to provide a statistically relevant answer.
In vitro studies of the protein-interaction network of cell-wall lytic transglycosylase RlpA of Pseudomonas aeruginosa
Authors: Avila-Cobian Luis F. , De Benedetti Stefania , Kim Choon , Feltzer Rhona , Champion Matthew M. , Fisher Jed F. , Mobashery Shahriar
Published: November 2022

The protein networks of cell-wall-biosynthesis assemblies are largely unknown. A key class of enzymes in these assemblies is the lytic transglycosylases (LTs), of which eleven exist in P. aeruginosa. We have undertaken a pulldown strategy in conjunction with mass-spectrometry-based proteomics to identify the putative binding partners for the eleven LTs of P. aeruginosa. A total of 71 putative binding partners were identified for the eleven LTs. A systematic assessment of the binding partners of the rare lipoprotein A (RlpA), one of the pseudomonal LTs, was made. This 37-kDa lipoprotein is involved in bacterial daughter-cell separation by an unknown process. RlpA participates in both the multi-protein and multi-enzyme divisome and elongasome assemblies. We reveal an extensive protein-interaction network for RlpA involving at least 19 proteins. Their kinetic parameters for interaction with RlpA were assessed by microscale thermophoresis, surface-plasmon resonance, and isothermal-titration calorimetry. Notable RlpA binding partners include PBP1b, PBP4, and SltB1. Elucidation of the protein-interaction networks for each of the LTs, and specifically for RlpA, opens opportunities for the study of their roles in the complex protein assemblies intimately involved with the cell wall as a structural edifice critical for bacterial survival.
Decoupling of dust cloud and embedding plasma for high electron depletion in nanodusty plasmas
Authors: Petersen Andreas , Asnaz Oguz Han , Tadsen Benjamin , Greiner Franko
Published: November 2022

In recent years nanoparticles have become key technological products, e.g., as coatings with tunable optical gap in third generation solar cells, as nanocrystals for photonic applications, and as pharmaceutical nanocarriers. In particle sources, that use reactive, nanodusty plasmas, a high dust density changes the properties of the dusty plasma compared to a dust free plasma considerably, as electron depletion leads to a reduced number of free electrons. This is called the Havnes effect and was central for the understanding of the famous spokes in Saturns rings. We see here, that it is also important for technological applications. Using self excited dust density waves (DDW) as a diagnostic tool, we completely characterize an argon discharge with embedded amorphous hydrocarbon nanoparticles of different size and density. The results show, that electron depletion governs the charge of dust grains, while the size of the particles has only a weak influence. The ion density and electric potential profile are almost independent of both, dust size as well as dust density. This suggests, that the rf generated plasma and the dust cloud seem to coexist and coupling of both is weak.
Advanced monitoring of tailings dam performance using seismic noise and stress models
Authors: Ouellet Susanne M. , Dettmer Jan , Olivier Gerrit , DeWit Tjaart , Lato Matthew
Published: November 2022

Tailings dams retain the waste by-products of mining operations and are among the world’s largest engineered structures. Recent tailings dam failures highlight important gaps in current monitoring methods. Here we demonstrate how ambient noise interferometry can be applied to monitor dam performance at an active tailings dam using a geophone array. Seismic velocity changes of less than 1% correlate strongly with water level changes at the adjacent tailings pond. We implement a power-law relationship between effective stress and shear wave velocity, using the pond level recordings with shear wave velocity profiles obtained from cone penetration tests to model changes in shear wave velocities. The resulting one-dimensional model shows good agreement with the seismic velocity changes. As shear wave velocity provides a direct measure of soil stiffness and can be used to infer numerous other geotechnical design parameters, this method provides important advances in understanding changes in dam performance over time.
Highly selective and discriminative detection of small alcohols based on a dual-emission macrocyclic samarium complex
Authors: Zhang Chengjian , Li Sichen , Zheng Ruijie , Tai Shengdi , Yang Kang , Zhang Kun
Published: November 2022

Complex Sm-2r, a ‘lab-on-a-molecule’ probe, can provide several fluorescence channels to distinguish 18 small alcohols, especially cyclopropyl and glycerol, by statistical analysis.
Potential of desorption electrospray ionization and paper spray ionization with high-resolution mass spectrometry for the screening of sports doping agents in urine
Authors: Bressan Claudia , Seró Raquel , Alechaga Élida , Monfort Nuria , Moyano Encarnación , Ventura Rosa
Published: November 2022

In this work, desorption electrospray ionization and paper spray ionization both with high-resolution mass spectrometry (DESI-HRMS and PSI-HRMS) were explored for the fast and direct analysis of stimulants and diuretics in urine samples.
Heavy metal, organic matter, and disinfection byproduct release from drinking water pipe scales under stagnant conditions
Authors: Kurajica L. , Ujević Bošnjak M. , Kinsela A. S. , Štiglić J. , Waite T. D.
Published: November 2022

Physico-chemical and microbiological processes occurring in water distribution systems (WDSs) can result in the formation of pipe scales which accumulate harmful metals.
Citrus flavanone metabolites protect pancreatic β-cells against cholesterol stress through a multi-proteomic mechanism
Authors: Fraga Layanne Nascimento , Anacleto Sara Lima , Milenkovic Dragan , Lajolo Franco Maria , Hassimotto Neuza Mariko Aymoto
Published: November 2022

Citrus flavanones may improve oxidative stress and insulin resistance induced by western diets.
Effect of substitution position of dibenzofuran-terminated robust hole-transporters on physical properties and TADF OLED performances
Authors: Abe Shoki , Sasabe Hisahiro , Nakamura Takeru , Matsuya Misaki , Saito Yu , Hanayama Takanori , Araki Suguru , Kumada Kengo , Kido Junji
Published: November 2022

A four dibenzofuran-terminated hole-transporter, T1DBFBP, realizes high-efficiency and highly stable green TADF OLEDs with an EQE of over 20% and a long operation lifetime LT50of 30 000 h at 1000 cd m−2.
Comment on “Optimal centrifugal isolating of liposome–protein complexes from human plasma” by L. Digiacomo, F. Giulimondi, A. L. Capriotti, S. Piovesana, C. M. Montone, R. Z. Chiozzi, A. Laganá, M. Mahmoudi, D. Pozzi and G. Caracciolo,Nanoscale Adv., 2021,3, 3824
Authors: Münter Rasmus , Simonsen Jens B.
Published: November 2022

Centrifugation is unsuitable for isolating liposomes from human plasma, and should not be the method of choice for researchers wanting to investigate the protein corona of liposomes for drug delivery.
Self-assembled CsPbBr3 quantum dots with wavelength-tunable photoluminescence for efficient active jamming
Authors: Chen You-Long , Hu Yi-Hua , Ma Liang , Zhang Xin-yuan , Zhao Nan-Xiang , Yang Xing , Zhang Yu-Shuang , Gu You-Lin , Xu Shi-Long , Dong Xiao , Ma Sheng-Jie
Published: November 2022

The self-assembly of CsPbBr3 quantum dots from nanosphere to nanocube endows them with adjustable photoluminescence, achieving efficient active jamming of optical imaging systems based on charge coupled devices.
Recent advances in surface reconstruction toward self-adaptive electrocatalysis: a review
Authors: Huang Yiyin , Quan Weiwei , Yao Hurong , Yang Rui , Hong Zhensheng , Lin Yingbin
Published: November 2022

Self-adaptive electrocatalysis of inorganic materials was proposed and its origin, basic principles, and recent advances were discussed toward the fabrication of self-adaptive cycles for sustainable electrocatalysis.
Facile preparation of fluorescent non-conjugated polymer films with tunable multicolor photoluminescencevialayer-by-layer assembly
Authors: Wang Xu , Sun Huyun , Lu Yingxi , Zhou Xianfeng
Published: November 2022

Fluorescent non-conjugated polymer films of poly(acrylic acid)/polyethylenimine are prepared by the layer-by-layer assembly, and these films exhibit tunable multicolor photoluminescence and sensitive response to metal ions.
Solution-processed triphenylethylene-fluorene fluorochromes toward deep-blue organic light-emitting diodes: benefits of preventing radical formation
Authors: Zheng Yingying , Li Mengyuan , Yu Ninging , Wang Shengjie , Sun Lili , An Xiang , Han Yamin , Lin Jinyi , Ding Xuehua , Huang Wei
Published: November 2022

High band exciton is easily trapped and quenched by the defect structure in wide bandgap light-emitting conjugated materials (LCMs), which is harmful to the performance and stability of deep-blue organic light-emitting diodes (OLEDs).
Efficient preparation of nanocatalysts. Case study: green synthesis of supported Pt nanoparticles by using microemulsions and mangosteen peel extract
Authors: Parapat Riny Yolandha , Schwarze Michael , Ibrahim Alwin , Tasbihi Minoo , Schomäcker Reinhard
Published: November 2022

The optimal approach to efficient nanocatalysts synthesis is to optimize both the yield and activity simultaneously. The optimization principle in this paper can also be more broadly applied to other multivariable processes.
Treatment of fluorinated wastewater with chitosan modified activated sludge lysis ash
Authors: Li Xiangdong , Guo Yanwen , Xie Yuhan , Sun Yue
Published: November 2022

An activated sludge lysis ash/chitosan composite adsorbent was synthesised using an in situ coprecipitation method, making lysis ash for fluoride removal from wastewater has an outstanding overall cost advantage.
Decarboxylative ring-opening of 2-oxazolidinones: a facile and modular synthesis of β-chalcogen amines
Authors: Galetto Fábio Z. , da Silva Cleiton , Beche Ricardo I. M. , Balaguez Renata A. , Franco Marcelo S. , de Assis Francisco F. , Frizon Tiago E. A. , Su Xiao
Published: November 2022

This study includes a new protocol for the synthesis of primary and secondary β-chalcogen amines (Se, Te and S) from the ring-opening reaction of non-activated 2-oxazolidinones with chalcogenolate anions.
Activated carbon from almond shells using an eco-compatible method: screening, optimization, characterization, and adsorption performance testing
Authors: Boulika H. , El Hajam M. , Hajji Nabih M. , Idrissi Kandri N. , Zerouale A.
Published: November 2022

Screening and optimization by DOE, an ecofriendly method under vacuum for the preparation of activated carbon from almond shells, characterization, and application for textile wastewater treatment are presented.
CO + NH3 coupling denitration at low temperatures over manganese/activated carbon catalysts
Authors: Luo Liubin , Huang Bangfu , Shi Zhe , Wen Zhenjing , Li Wanjun , Zi Gaoyong , Yang Linjing
Published: November 2022

The low-temperature CO + NH3 coupling denitration of the Mn/AC catalyst conforms to the L–H mechanism when the temperature is lower than 230 °C and the E–R mechanism when the temperature is higher than 230 °C.
A theoretical study of new polar and magnetic double perovskites for photovoltaic applications
Authors: Rahmani Neda , Shabani Alireza , Adam Jost
Published: November 2022

Herein, the authors theoretically investigate the structural, electronic, magnetic, and optical properties of new double perovskites Sn2{Mn,FE}TaO6. Their stability, band gaps, and high absorption coefficients suggest them for future photovoltaics.
DFT/TD-DFT study of electronic and phosphorescent properties in cycloplatinated complexes: implications for OLEDs
Authors: Moradpour Batool , Omidyan Reza
Published: November 2022

High level density functional and time-dependent density functional (DFT, TD-DFT) theoretical methods have been employed to investigate the photophysical properties of 5 inorganic compounds resulting from Pt(ii) and ppy (2-phenyl-pyridine) ligands.
Extractive-catalytic oxidative desulfurization of a model fuel over vanadium-containing heteropolyacids immobilized on amine-functionalized magnetic graphene oxide: a comparative study between Keggin and Dawson-type heteropolyacids and process optimization via response surface methodology
Authors: Mohammadi-Nejati Fariba , Shahhosseini Shahrokh
Published: November 2022

V-containing HPAs were supported on magnetic graphene oxide and used in an ECODS system. A comparative study between Well–Dawson and Keggin type HPAs in DBT removal was performed. The catalyst was separated easily from the reaction media.
In situsurface-trap passivation of CuBi2O4photocathodes for unbiased solar water splitting
Authors: Hu Yingfei , Wang Jun , Huang Huiting , Feng Jianyong , Liu Wangxi , Guan Hangmin , Hao Lingyun , Li Zhaosheng , Zou Zhigang
Published: November 2022

In situdeveloped MgO nanoparticle segregations are found to serve as effective surface-trap passivators for CuBi2O4photocathodes.
Hydroxyapatite-based catalysts for CO2fixation with controlled selectivity towards C2 products. Phenomenal support or active catalyst?
Authors: Arnau Marc , Turon Pau , Alemán Carlos , Sans Jordi
Published: November 2022

The loading of TiO2nanoparticles onto p-HAp has been studied for the selective fixation of CO2into C2 products.
Recent progress in flexible electrodes and textile shaped devices for organic solar cells
Authors: Heng Wei , Weihua Li , Bachagha Kareem
Published: November 2022

This review summarized the current development of flexible electrodes applied to organic solar cells and the latest research on fiber and fabric-shaped organic solar cell devices, including detailed information on their fabrication technologies.
Shape programming and photoactuation of interpenetrating polymer networks containing azobenzene moieties
Authors: Ube Toru , Naito Keigo , Ikeda Tomiki
Published: November 2022

The shape memory effects and photoinduced deformation behaviour of interpenetrating polymer network (IPN) films containing azobenzene liquid-crystalline polymers were investigated.
Facile dimerization strategy for producing narrowband green multi-resonance delayed fluorescence emitters
Authors: Yang Minlang , Konidena Rajendra Kumar , Shikita So , Yasuda Takuma
Published: November 2022

A facile dimerization strategy for producing narrowband green multi-resonance thermally activated delayed fluorescence (MR-TADF) materials is reported.
Equipping carbon dots in a defect-containing MOFviaself-carbonization for explosive sensing
Authors: Li Ling-Xiao , He Shan , Zeng Shanshan , Chen Wan-Tao , Ye Jia-Wen , Zhou Hao-Long , Huang Xiao-Chun
Published: November 2022

By facile calcination, we successfully prepared CDs@MOF compositesviaself-carbonization in defect-containing MOFs, achieving photoluminescence fine tuning and effective sensing of picric acid.
Seismic analysis of reinforced concrete building accounting for local uplift, large rotation of the base and soil plasticity
Authors: El Abbas Nadia , Bezzazi Mohammed
Published: November 2022

This study provides an analysis of multistory reinforced concrete residential buildings to earthquakes considering local uplift of foundation, soil behaviour, site category and seismicity of area as suggested by the Moroccan seismic regulation. The superstructure was modeled as a flexible column with lumped mass placed at the top of the column under the hypothesis of large rotations or small rotations. The governing equations of the coupled system were obtained by expressing momentum conservation principle and were solved by means of adequate time integration numerical scheme. Then, the maximum seismic response of the coupled system was determined under El Centro ground motion for various configurations of the coupled mat-foundation system: elastic or elastic-perfectly plastic, as well as soil class and seismic magnitude. It was found that the nonlinear seismic demand of a reinforced concrete building, in terms of maximum values of horizontal and vertical displacements and rotation, depends considerably on the assumption regarding rotation magnitude. It is governed also by the height of the structure and the soil stiffness.
Races canines et comportement
Authors: Jordan Bertrand
Published: November 2022

It is commonly believed that a dog’s breed predicts its behaviour. A 2019 paper seemed to confirm this, but had some serious limitations. An extensive new study shows that, in fact, breed is not a good predictor of behaviour at the individual level, and has only a weak influence on average characteristics.
Les génomes viraux défectueux du virus Chikungunya: Vers une nouvelle approche d’antiviraux à large spectre ?
Authors: Khau Sandra , Lopatynski Cassandra
Published: November 2022

Le Master 2 « Infectiologie, Immunologie, Vaccinologie et Biomédicaments (I2VB) », dispensé à la faculté de Pharmacie de l’université de Tours, propose de donner les bases conceptuelles et pratiques des différents aspects de l’infectiologie et de l’immunologie dans un contexte d’innovation thérapeutique. Il s’appuie sur une coopération exemplaire entre les équipes de recherche en infectiologie et en immunologie de l’université de Tours, et celles, entre autres, de l’unité « Infectiologie et Santé Publique » (ISP) et de l’unité « Physiologie de la Reproduction et des Comportements » (PRC) du Centre INRAE de Tours-Nouzilly, concrétisée par une profonde interaction entre chercheurs et enseignants-chercheurs. Cette formation aborde aussi bien les aspects fondamentaux et appliqués de l’infectiologie et de l’immunologie, allant de l’étude moléculaire des interactions entre le pathogène et son hôte, jusqu’à la conception et la mise sur le marché des produits de la vaccinologie, des biothérapies anti-infectieuses et des anticorps thérapeutiques.

Le Master 2 I2VB a pour objectif de former :

– de jeunes scientifiques aux enjeux actuels de l’infectiologie et des biomédicaments tels que les anticorps.

– des experts pour gérer les risques d’émergences, et capables de comprendre les interactions complexes entre un agent infectieux et son hôte humain ou animal, capables de proposer des mesures préventives ou des thérapies innovantes.
Integrated safety and security enhancement of connected automated vehicles using DHR architecture
Authors: Li Yufeng , Liu Qi , Chen Xuehong , Cao Chenhong
Published: November 2022

Safety and security are interrelated and both essential for connected automated vehicles (CAVs). They are usually investigated independently, followed by standards ISO 26262 and ISO/SAE 21434, respectively. However, more functional safety and security features of in-vehicle components make existing safety mechanisms weaken security mechanisms andvice versa. This results in a dilemma that the safety-critical and security-critical in-vehicle components cannot be protected. In this paper, we propose a dynamic heterogeneous redundancy (DHR) architecture to enhance the safety and security of CAVs simultaneously. We first investigate the current status of integrated safety and security analysis and explore the relationship between safety and security. Then, we propose a new taxonomy of in-vehicle components based on safety and security features. Finally, a dynamic heterogeneous redundancy (DHR) architecture is proposed to guarantee integrated functional safety and cyber security of connected vehicles for the first time. A case study on an automated bus shows that DHR architecture can not only detect unknown failures and ensure functional safety but also detect unknown attacks to protect cyber security. Furthermore, we provide an in-depth analysis of quantification for CAVs performance using DHR architecture and identify challenges and future research directions. Overall, integrated safety and security enhancement is an emerging research direction.
Valve-Related Complications in TAVI Leading to Emergent Cardiac Surgery
Authors: Conzelmann Lars , Grotherr Philipp , Dapeng Lu , Würth Alexander , Widder Julian , Jacobshagen Claudius , Mehlhorn Uwe
Published: November 2022

Transcatheter aortic valve implantation (TAVI) is now a standard procedure for the treatment of symptomatic aortic valve stenosis in many patients. In Germany, according to the annual reports from the German Institute for Quality Assurance and Transparency in Healthcare (Institut für Qualitätssicherung und Transparenz im Gesundheitswesen), the rate of serious intraprocedural complications, such as valve malpositioning or embolization, coronary obstruction, aortic dissection, annular rupture, pericardial tamponade, or severe aortic regurgitation requiring emergency cardiac surgery has decreased markedly in recent years from more than 5.5% in 2012 to 2.0% in 2019. However, with increased use, the total number of adverse events remains about 500 per year, about 100 of which require conversion to sternotomy. These, sometimes, fatal events can occur at any time and are still challenging. Therefore, the interdisciplinary TAVI heart team should be prepared and aware of possible rescue strategies.
A Deeper Curse: A Hirschsprung Patient's Evaluation Unmasks a Rare Association with Congenital Central Hypoventilation Syndrome and Neuroblastoma
Authors: Jacobs Shimon Eric , Tiusaba Laura , Bokova Elizaveta , Al-Shamaileh Tamador , Russell Teresa Lynn , Rutan Emily C. , Haroyan Harutyun , Wang Yong , Feng Christina , Badillo Andrea , Levitt Marc A.
Published: November 2022

We present a rare case of a 2-year-old male patient referred for primary evaluation of constipation and ultimately treatment of Hirschsprung disease (HSCR) whose preoperative workup incidentally revealed a posterior paraspinal mass. Following the biopsy of the mass, the patient exhibited hypoventilation and hypoxia requiring a delayed extubation, raising suspicion for congenital central hypoventilation syndrome (CCHS). We focus on the known history of associations between HSCR and CCHS, in addition to recently found genetic mutations in paired-like homeobox 2B that link HSCR, CCHS, and neuroblastoma.
Violence Prevention Climate in Civil and Forensic Mental Health Settings: Common Goal, Different Views?
Authors: Goulet Marie-Hélène , Latulippe Marjolie , Pariseau-Legault Pierre , Hallett Nutmeg , Crocker Anne G.
Published: November 2022

This study aimed to explore staff and patients’ views on the violence prevention climate in civil and forensic mental health settings. We conducted a cross-sectional survey of 110 inpatients and 198 staff members from three civil mental health hospitals (including two forensic units) and one forensic mental health hospital in Canada. Staff and patients’ perceptions of the violence prevention climate on civil and forensic mental health units were measured using the modified violence prevention climate scale, French version (VPC-M-FR). Multiple analyses of variance (ANOVAs) were performed to assess differences in the VPC-M-FR total and subscale scores (staff action, patient action, therapeutic environment) between patients and staff, settings (civil vs. forensic), restrictive practices (presence vs. absence of seclusion or restraints), incidents of violence during hospitalization (presence vs. absence), and victimization (presence vs. absence). In both settings, patients’ views of the violence prevention climate were significantly more positive than those of the staff. Staff in forensic mental health settings had a more positive perception of the violence prevention climate than those in civil mental health units. The results contribute to a better understanding of the violence prevention climate among staff and patients and will guide future interventions within civil and forensic settings.
Effect of PMMA sealing treatment on the corrosion behavior of plasma electrolytic oxidized titanium dental implants in fluoride-containing saliva solution
Authors: Mohammed Nawres Bahaa , Daily Zina Ali , Alsharbaty Mohammed Hussein , Abullais Shahabe Saquib , Arora Suraj , Lafta Holya A , Jalil Abduladheem Turki , Almulla Abbas F , Ramírez-Coronel Andrés Alexis , Aravindhan Surendar , Bathaei Masoud Soroush
Published: November 2022

Titanium (Ti) and its alloys are widely used as dental implant materials because of their high mechanical properties, biocompatibility, and corrosion resistance. This research was undertaken to study the effect of polymethyl-methacrylate (PMMA) sealing layer on the corrosion performance of plasma electrolytic oxidation (PEO)-coated titanium-based dental implants in pure saliva and fluoride-containing saliva solutions. The phase structure, chemical composition, and microstructure of coatings were investigated via x-ray diffraction, Fourier transform infrared spectroscopy, and scanning electron microscopy, respectively. The corrosion behavior of the samples was evaluated by open circuit potential, potentiodynamic polarization, and electrochemical impedance spectroscopy tests. The deposition of the PMMA layer on the PEO-coated Ti dental implants was found to effectively seal the micropores and microcracks of the TiO2 coatings and block corrosive ions’ penetration routes through the coating. Thereby, the results indicated that better corrosion performance was observed when the PMMA layer is applied on PEO-coated Ti dental implants than on the simple PEO coatings.
Developing clinical grade flexible implantable electronics
Authors: Liu Yu , Balsamo Domenico , Degenaar Patrick
Published: November 2022

Implantable electronic sensors and systems are utilised in an increasingly broad array of clinical applications, such as pacemakers, neuro-modulators and bioelectronic vagal nerve controllers. Advances in microelectronics, materials, and bio-interfaces allow for new clinical applications and support fundamental research. However, a longstanding issue with such devices has been the mismatch between the relative stiffness of such structures compared to tissue softness. This disparity has led to tissue rejection in the form of scar tissue around implantable probes, leading to loss of function and/or capability. This review, therefore, explores the field of implantable electronics and neuroprosthetics with a particular focus on developments in soft, flexible devices. We include advancements in materials and device topologies as well as the current understanding of their long-term efficacy in biological tissue.
Multi-axis control of a qubit in the presence of unknown non-Markovian quantum noise
Authors: Youssry Akram , Nurdin Hendra I
Published: November 2022

In this paper, we consider the problem of open-loop control of a qubit that is coupled to an unknown fully quantum non-Markovian noise (either bosonic or fermionic). A graybox model that is empirically obtained from measurement data is employed to approximately represent the unknown quantum noise. The estimated model is then used to calculate the open-loop control pulses under constraints on the pulse amplitude and timing. For the control pulse optimization, we explore the use of gradient descent and genetic optimization methods. We consider the effect of finite sampling on estimating expectation values of observables and show results for single- and multi-axis control of a qubit.
Single-particle versus many-body phase coherence in an interacting Fermi gas
Authors: Pecci Giovanni , Naldesi Piero , Minguzzi Anna , Amico Luigi
Published: November 2022

In quantum mechanics, each particle is described by a complex valued wave-function characterized by amplitude and phase. When many particles interact each other, cooperative phenomena give rise to a quantum many-body state with a specific quantum coherence. What is the interplay between single-particle’s phase coherence and many-body quantum coherence? Over the years, such question has been object of profound analysis in quantum physics. Here, we demonstrate how the time-dependent interference formed by releasing an interacting degenerate Fermi gas from a specific matter-wave circuit in an effective magnetic field can tell apart the two notions. Single-particle phase coherence, indicated by the first-order correlator, and many-body quantum coherence, indicated by the density–density correlator, are displayed as distinct features of the interferogram. Single particle phase coherence produces spiral interference of the Fermi orbitals at intermediate times. Many-body quantum coherence emerges as long times interference. The interplay between single-particle coherence and many-body coherence is reflected in a stepwise dependence of the interference pattern on the effective magnetic field.
Magnetotransport as a probe for the interplay between Sm and Fe magnetism in SmFeAsO
Authors: Meinero M , Caglieris F , Leveratto A , Repetto L , Fujioka M , Takano Y , Zeitler U , Pallecchi I , Putti M
Published: November 2022

The complex magnetic ordering of parent compounds of most unconventional superconductors is crucial for the understanding of high-temperature superconductivity (SC). Within this framework, we have performed temperature-dependent magnetotransport experiments on a single crystal of SmFeAsO, a parent compound of iron pnictide superconductors. We observe multiple features in the measured transport properties at temperatures below the antiferromagnetic (AFM) ordering of Sm,

T
<

T

NSm

, which evolve with in-plane magnetic field, suggesting a rich variety of metamagnetic transitions never before observed in this compound. Considering that transport mainly involves Fe d orbitals at the Fermi level, these findings suggest that the features originate from magnetic transitions of the Fe moments sublattice, which in turn may be induced by magnetic transitions of the Sm moments sublattice via the interaction between Fe and Sm moments. We outline a possible scenario in which the Fe moments, strongly affected by the Sm ordering below T
NSm, reorder to an in-plane canted AFM structure, which is washed out by the application of an in-plane magnetic field up to 9 T. Our work shows that transport properties are a valuable tool for investigating magnetic ordering in iron pnictide parent compounds, where the interplay of magnetism and SC is believed to be the origin of high-temperature SC.
A deep neural network for oxidative coupling of methane trained on high-throughput experimental data
Authors: Ziu Klea , Solozabal Ruben , Rangarajan Srinivas , Takáč Martin
Published: November 2022

In this work, we develop a deep neural network model for the reaction rate of oxidative coupling of methane from published high-throughput experimental catalysis data. A neural network is formulated so that the rate model satisfies the plug flow reactor design equation. The model is then employed to understand the variation of reactant and product composition within the reactor for the reference catalyst Mn–Na2WO4/SiO2 at different temperatures and to identify new catalysts and combinations of known catalysts that would increase yield and selectivity relative to the reference catalyst. The model revealed that methane is converted in the first half of the catalyst bed, while the second part largely consolidates the products (i.e. increases ethylene to ethane ratio). A screening study of

⩾
3400

combinations of pairs of previously studied catalysts of the form M1(M2)

1
−
2

M3O
x
/support (where M1, M2 and M3 are metals) revealed that a reactor configuration comprising two sequential catalyst beds leads to synergistic effects resulting in increased yield of C2 compared to the reference catalyst at identical conditions and contact time. Finally, an expanded screening study of 7400 combinations (comprising previously studied metals but with several new permutations) revealed multiple catalyst choices with enhanced yields of C2 products. This study demonstrates the value of learning a deep neural network model for the instantaneous reaction rate directly from high-throughput data and represents a first step in constraining a data-driven reaction model to satisfy domain information.