bluuebunny/crossref_metadata_2025 huggingface dataset:
The prognostic value of hedgehog signaling in bladder cancer by integrated bioinformatics
Authors: Yu Xin , Li Wenge , Feng Yanjun , Gao Zhijie , Wu Qi , Xia Yue
Published: April 2023

Bladder cancer is the second most prevalent urological malignancy. It's a big contributor to cancer-related deaths throughout the globe. Researchers discovered that the hedgehog signaling (HhS) pathway contributed to the onset and spread of many different kinds of cancer. Nevertheless, the present understanding of the function of HhS in the bladder cancer molecular landscape is incomplete. Raw data were gotten from the IMvigor210, the Gene Expression Omnibus, and The Cancer Genome Atlas databases. Bioinformatics was used to examine the HhS score of each sample, and the enrichment of differentially expressed genes (DEGs), differentiation characteristics, immunological infiltration, and metabolic activity. The HhS prognostic signature was developed with significant assistance from the least absolute shrinkage and selection operator regression and Cox regression. An HhS-related nomogram was developed to assist in the prediction of patients’ survival probability. We found that HhS was linked to poor prognosis in bladder cancer, and its activation was linked to the Basal subtype of bladder cancer. Bladder cancer with high HhS activity has higher glycolysis, nucleotide metabolism, amino acid metabolism, and other cancer-promoting metabolic activities. Furthermore, HhS mediates an immunosuppressive microenvironment in bladder cancer on the basis that HhS negatively correlates with the CD8 + T cells and correlates positively with immune checkpoints and T cell exhaustion scores. Finally, an HhS-related signature was developed for predicting the prognosis of patients with bladder cancer. Targeting HhS may be a potential therapy choice for bladder cancer.
Turbulent flow interacting with flexible trawl net structure including simulation catch in flume tank
Authors: Nyatchouba Nsangue Bruno Thierry , Tang Hao , Liu Wei , Xu Liuxiong , Hu Fuxiang
Published: April 2023

The interaction between fluid and the midwater trawl with stocked catches is extremely complex, but essential to improve the understanding of the drag force acting on the trawl, the behavior of the fishing structure during a trawling process, and to predict its selectivity process. The present study assesses the turbulent characteristics inside and around the midwater trawls with catch and without catch linked to its fluttering motion. The analysis is based on three-dimensional electromagnetic current velocity meter measurements performed in the multiple points inside and outside different parts of a 1/35 scaled midwater trawl model with the aim of access the main turbulent flow structure inside and around the gear. Time-averaged normalized flow velocity fields and turbulent flow parameters were analyzed from the measured flow data. Furthermore, Fourier analysis was conducted by watching the time–frequency Power spectrum content of instantaneous flow velocities fields, the fluttering trawl motions, turbulent kinetic energy, and momentum flux. Based on successive analyzes of mean flow characteristics and turbulent flow parameters, it has been demonstrated that the presence of catch inside the trawl net impacts the evolution of unsteady turbulent flow by creating large trawl fluttering motions that strongly affect the flow passage. The results showed that the time-averaged normalized streamwise and transverse flow velocities inside and around the trawl net with catch were 12.41% lower compared with that obtained inside and around the trawl without catch. The turbulent length scale and turbulent Reynolds number obtained in the different part of the trawl net with catch were about 33.05% greater than those obtained on the trawl net without catch, confirming that the unsteady turbulent flow developing inside and around the midwater trawl is influence by the catch and liner. It is observed that the motions of both the trawl without catch and the trawl with catch are mainly of a low-frequency activity and another component related to unsteady turbulent flow street. A complex fluid–structure interaction is then demonstrated where the fluttering motions of the trawl net affect the fluid flow inside and around trawl net, the fluid force, turbulent pattern, and simultaneously, the periodic unsteady turbulent flow influence the trawl motions.
A head-to-head comparison of well-being of older people (WOOP) and EQ-5D-5L in patients, carers and general public in China
Authors: Ran Xun , Mao Zhuxin , Yang Zhihao
Published: April 2023

Recently, well-being of older people measure (WOOP) was developed and validated in a Dutch population. Although WOOP was developed targeting the older people, it has the potential for use in a wider population. In this study, we aimed to examine the relationship between WOOP and EQ-5D-5L and compared their psychometric properties in a sample of patients, carers and healthy general public covering a wider age group. We conducted a cross-sectional study in Guizhou Province, China between July and August 2022. Data was collected using paper and pencil. We analysed and reported the acceptability, item response distribution, the Spearman correlation coefficients of all items, the Exploratory Factor Analysis (EFA) of all items, the known-group validity and the convergent validity of EQ-5D-5L utility and WOOP utility. A total of 322 participants completed the survey with 105 patients, 101 carers and 116 healthy general public. 9% of participants had at least one missing response. Three items of WOOP did not have any level 5 responses and EQ-5D-5L had more level 1 responses. The correlations were low between EQ-5D-5L and WOOP items and the three-factor EFA showed these two instruments had only one shared factor and the other two factors were only related to WOOP items. Younger people had lower missing response rate and a different response distribution for three items. WOOP measures a broader construct beyond health while EQ-5D-5L is a more sensitive instrument when health is considered alone. There is a potential of using WOOP in a wider population.
Pyrolytic elimination of ethylene from ethoxyquinolines and ethoxyisoquinolines: a computational study
Authors: Abdel-Rahman Mohamed A. , Shibl Mohamed F. , Mahmoud Mohamed A. M.
Published: April 2023

This work reports a thermo-kinetic study on unimolecular thermal decomposition of some ethoxyquinolines and ethoxyisoquinolines derivatives (1-ethoxyisoquinoline (1-EisoQ), 2-ethoxyquinoline (2-EQ), 3-ethoxyquinoline (3-EQ), 3-ethoxyisoquinoline (3-EisoQ), 4-ethoxyquinoline (4-EQ), 4-ethoxyisoquinoline (4-EisoQ), 5-ethoxyquinoline (5-EQ), 5-ethoxyisoquinoline (5-EisoQ), 8-ethoxyquinoline (8-EQ) and 8-ethoxyisoquinoline (8-EisoQ)) using density functional theory DFT (BMK, MPW1B95, M06-2X) and ab initio complete basis set-quadratic Becke3 (CBS-QB3) calculations. In the course of the decomposition of the investigated systems, ethylene is eliminated with the production of either keto or enol tautomer. The six-membered transition state structure encountered in the path of keto formation is much lower in energy than the four-membered transition state required to give enol form. Rate constants and activation energies for the decomposition of 1-EisoQ, 2-EQ, 3-EQ, 3-EisoQ, 4-EQ, 4-EisoQ, 5-EQ, 5-EisoQ, 8-EQ, and 8-EisoQ have been estimated at different temperatures and pressures using conventional transition state theory combined with Eckart tunneling and the unimolecular statistical Rice–Ramsperger–Kassel–Marcus theories. The tunneling correction is significant at temperatures up to 1000 K. Rate constants results reveal that ethylene elimination and keto production are favored kinetically and thermodynamically over the whole temperature range of 400–1200 K and the rates of the processes under study increase with the rising of pressure up to 1 atm.
Effects of iron oxide contents on photocatalytic performance of nanocomposites based on g-C3N4
Authors: Afkari M. , Masoudpanah S. M. , Hasheminiasari M. , Alamolhoda S.
Published: April 2023

α-Fe2O3/Fe3O4/g-C3N4 nanocomposites were prepared in-situ by solution combustion as magnetically separable photocatalysts using ferric nitrate as oxidant, glycine as organic fuel, and g-C3N4. The effects of various amounts of iron oxides, on the magnetic, optical, and photocatalytic properties were explored by different characterization methods. The magnetite (Fe3O4) phase as ferrimagnetic material disappeared with the increase in ferric nitrate contents, leading to the decrease of magnetic properties. The bandgap energy decreased from 2.8 to 1.6 eV with the increase of the hematite (α-Fe2O3) phase.The photocatalytic results showed that the type and amount of iron oxides had a significant effect on the decolorization of methylene blue, rhodamine B and methyl orange dyes under visible-light irradiation. The activity of the nanocomposite sample containing 37 wt. % iron oxides was more effective than that of the pristine g-C3N4 sample to photodegrade the methylene blue, rhodamine B and methyl orange, respectively. Moreover, the nanocomposites exhibited a higher photocurrent density than that of the pristine g-C3N4, mainly due to their lower charge recombination rate.
The simplification of the insomnia severity index and epworth sleepiness scale using machine learning models
Authors: Lee Woodo , Kim Hyejin , Shim Jaekwoun , Kim Dongsin , Hyeon Janghun , Joo Eunyeon , Joo Byung-Euk , Oh Junhyoung
Published: April 2023

Insomnia and excessive daytime sleepiness (EDS) are the most common complaints in sleep clinics, and the cost of healthcare services associated with them have also increased significantly. Though the brief questionnaires such as the Insomnia Severity Index (ISI) and Epworth Sleepiness Scale (ESS) can be useful to assess insomnia and EDS, there are some limitations to apply for large numbers of patients. As the researches using the Internet of Things technology become more common, the need for the simplification of sleep questionnaires has been also growing. We aimed to simplify ISI and ESS using machine learning algorithms and deep neural networks with attention models. The medical records of 1,241 patients who examined polysomnography for insomnia or EDS were analyzed. All patients are classified into five groups according to the severity of insomnia and EDS. To develop the model, six machine learning algorithms were firstly applied. After going through normalization, the process with the CNN+ Attention model was applied. We classified a group with an accuracy of 93% even with only the results of 6 items (ISI1a, ISI1b, ISI3, ISI5, ESS4, ESS7). We simplified the sleep questionnaires with maintaining high accuracy by using machine learning models.
Improved YOLOv5 infrared tank target detection method under ground background
Authors: Liang Chao , Yan Zhengang , Ren Meng , Wu Jiangpeng , Tian Liping , Guo Xuan , Li Jie
Published: April 2023

The detection precision of infrared seeker directly affects the guidance precision of infrared guidance system. To solve the problem of low target detection accuracy caused by the change of imaging scale, complex ground background and inconspicuous infrared target characteristics when infrared image seeker detects ground tank targets. In this paper, a You Only Look Once, Transform Head Squeeze-and-Excitation (YOLOv5s-THSE) model is proposed based on the YOLOv5s model. A multi-head attention mechanism is added to the backbone and neck of the network, and deeper target features are extracted using the multi-head attention mechanism. The Cross Stage Partial, Squeeze-and-Exclusion module is added to the neck of the network to suppress the complex background and make the model pay more attention to the target. A small object detection head is introduced into the head of the network, and the CIoU loss function is used in the model to improve the detection accuracy of small objects and obtain more stable training regression. Through these several improvement measures, the background of the infrared target is suppressed, and the detection ability of infrared tank targets is improved. Experiments on infrared tank target datasets show that our proposed model can effectively improve the detection performance of infrared tank targets under ground background compared with existing methods, such as YOLOv5s, YOLOv5s + SE, and YOLOV 5 s + Convective Block Attention Module.
Landscape of co-expressed genes between the myocardium and blood in sepsis and ceRNA network construction: a bioinformatic approach
Authors: Long Qi , Li Gang , Dong Qiufen , Wang Min , Li Jin , Wang Liulin
Published: April 2023

Septic cardiomyopathy is a serious complication of sepsis. The mechanism of disease pathogenesis, which is caused by infection, is well researched. Despite ongoing efforts, there are no viable biological markers in the peripheral blood for early detection and diagnosis of septic cardiomyopathy. We aimed to uncover potential biomarkers of septic cardiomyopathy by comparing the covaried genes and pathways in the blood and myocardium of sepsis patients. Gene expression profiling of GSE79962, GSE65682, GSE54514, and GSE134364 was retrieved from the GEO database. Student’s t-test was used for differential expression analysis. K-means clustering analysis was applied for subgroup identification. Least absolute shrinkage and selection operator (LASSO) and logistic regression were utilized for screening characteristic genes and model construction. Receiver operating characteristic (ROC) curves were generated for estimating the diagnostic efficacy. For ceRNA information prediction, miWalk and lncBase were applied. Cytoscape was used for ceRNA network construction. Inflammation-associated genes were upregulated, while genes related to mitochondria and aerobic metabolism were downregulated in both blood and the myocardium. Three groups with a significantly different mortality were identified by these covaried genes, using clustering analysis. Five characteristic genes—BCL2A1, CD44, ADGRG1, TGIF1, and ING3—were identified, which enabled the prediction of mortality of sepsis. The pathophysiological changes in the myocardium of patients with sepsis were also reflected in peripheral blood to some extent. The co-occurring pathological processes can affect the prognosis of sepsis. Thus, the genes we identified have the potential to become biomarkers for septic cardiomyopathy.
Acrylonitrile adducts: design, synthesis and biological evaluation as antimicrobial, haemolytic and thrombolytic agent
Authors: Das Parineeta , Devi Nirmala , Gaur Nisha , Goswami Swagata , Dutta Dhiraj , Dubey Rama , Puzari Amrit
Published: April 2023

In this work, five acrylonitrile adducts were screened for antibacterial activity against Gram-positive Bacillus subtilis, Microbial Type Culture Collection and Gene Bank (MTCC 1305) and Gram-negative Escherichia coli (MTCC 443). Synthesis was followed by aza-Michael addition reaction, where the acrylonitrile accepts an electron pair from the respective amines and results in the formation of n-alkyliminobis-propionitrile and n-alkyliminopropionitrile under microwave irradiation. Characterization of the compounds were performed using Fourier Transform Infrared (FTIR), Proton Nuclear Magnetic Resonance (1H NMR) and Electrospray Ionisation Mass Spectrometry (ESI–MS). The particle size characterization was done by Dynamic Light Scattering (DLS) technique. The antibacterial study showed higher inhibition rate for both Gram-positive and Gram-negative bacteria. The antibacterial ability was found to be dose dependent. The minimum inhibitory concentration against both bacteria were found to be 1, 3, 0.4, 1, 3 µl/ml for E. coli and 6, 6, 0.9, 0.5, 5 µl/ml for B. subtilis. Time-kill kinetics evaluation showed that the adducts possess bacteriostatic action. Further it was evaluated for high-throughput in vitro assays to determine the compatibility of the adducts for drug delivery. The haemolytic and thrombolytic activity was analysed against normal mouse erythrocytes. The haemolytic activity showed prominent results, and thereby projecting this acrylonitrile adducts as potent antimicrobial and haemolytic agent.
The wider the gap between rich and poor the higher the flood mortality
Authors: Lindersson Sara , Raffetti Elena , Rusca Maria , Brandimarte Luigia , Mård Johanna , Di Baldassarre Giuliano
Published: April 2023

Economic inequality is rising within many countries globally, and this can significantly influence the social vulnerability to natural hazards. We analysed income inequality and flood disasters in 67 middle- and high-income countries between 1990 and 2018 and found that unequal countries tend to suffer more flood fatalities. This study integrates geocoded mortality records from 573 major flood disasters with population and economic data to perform generalized linear mixed regression modelling. Our results show that the significant association between income inequality and flood mortality persists after accounting for the per-capita real gross domestic product, population size in flood-affected regions and other potentially confounding variables. The protective effect of increasing gross domestic product disappeared when accounting for income inequality and population size in flood-affected regions. On the basis of our results, we argue that the increasingly uneven distribution of wealth deserves more attention within international disaster-risk research and policy arenas.
Quantifying label enrichment from two mass isotopomers increases proteome coverage for in vivo protein turnover using heavy water metabolic labeling
Authors: Deberneh Henock M. , Abdelrahman Doaa R. , Verma Sunil K. , Linares Jennifer J. , Murton Andrew J. , Russell William K. , Kuyumcu-Martinez Muge N. , Miller Benjamin F. , Sadygov Rovshan G.
Published: April 2023

Heavy water metabolic labeling followed by liquid chromatography coupled with mass spectrometry is a powerful high throughput technique for measuring the turnover rates of individual proteins in vivo. The turnover rate is obtained from the exponential decay modeling of the depletion of the monoisotopic relative isotope abundance. We provide theoretical formulas for the time course dynamics of six mass isotopomers and use the formulas to introduce a method that utilizes partial isotope profiles, only two mass isotopomers, to compute protein turnover rate. The use of partial isotope profiles alleviates the interferences from co-eluting contaminants in complex proteome mixtures and improves the accuracy of the estimation of label enrichment. In five different datasets, the technique consistently doubles the number of peptides with high goodness-of-fit characteristics of the turnover rate model. We also introduce a software tool, d2ome+, which automates the protein turnover estimation from partial isotope profiles.
Scalable set of reversible parity gates for integer factorization
Authors: Lanthaler Martin , Niehoff Benjamin E. , Lechner Wolfgang
Published: April 2023

Classical microprocessors operate on irreversible gates, that, when combined with , half-adder and full-adder operations, execute complex tasks such as multiplication of integers. We introduce parity versions of all components of a multiplication circuit. The parity gates are reversible quantum gates based on the recently introduced parity transformation and build on ground-space encoding of the corresponding gate logic. Using a quantum optimization heuristic, e.g., an adiabatic quantum computing protocol, allows one to quantum mechanically reverse the process of multiplication and thus factor integers, which has applications in cryptography. Our parity approach builds on nearest-neighbor constraints equipped with local fields, able to encode the logic of a binary multiplication circuit in a modular and scalable way.
Circularity in Europe strengthens the sustainability of the global food system
Authors: van Zanten H. H. E. , Simon W. , van Selm B. , Wacker J. , Maindl T. I. , Frehner A. , Hijbeek R. , van Ittersum M. K. , Herrero M.
Published: April 2023

Redesigning the European food system on the basis of circularity principles could bring environmental benefits for Europe and the world. Here we deploy a biophysical optimization model to explore the effects of adopting three circularity scenarios in the European Union (EU)27 + UK. We calculate a potential reduction of 71% in agricultural land use and 29% per capita in agricultural greenhouse gas emissions, while producing enough healthy food within a self-sufficient European food system. Under global food shortages, savings in agricultural land could be used to feed an additional 767 million people outside the EU (+149%), while reducing per capita greenhouse gas emissions by 38% but increasing overall emissions by 55% due to the increased population served. Transitioning the EU’s food system towards circularity implies sequential changes among all its components and has great potential to safeguard human and planetary health.
The influence of lattice misfit on screw and edge dislocation-controlled solid solution strengthening in Mo-Ti alloys
Authors: Winkens Georg , Kauffmann Alexander , Herrmann Johannes , Czerny Andreas K. , Obert Susanne , Seils Sascha , Boll Torben , Baruffi Carolina , Rao You , Curtin William A. , Schwaiger Ruth , Heilmaier Martin
Published: April 2023

Mo-Ti alloys form solid solutions over a wide range of compositions, with lattice misfit parameters increasing significantly with titanium content. This indicates a strong increase in the critical stress for edge dislocation motion. Here, we probe the transition from screw to edge dislocation-dominated strengthening in Mo-Ti solid solutions with titanium content up to 80 at%. The alloys were scale-bridging characterized to isolate the impact of substitutional solid solution strengthening. Mechanical testing yielded no significant influence of grain boundaries or grain orientation. The results were corrected for the strengthening by unavoidable interstitial oxygen. Modelling of screw and edge dislocation-controlled solid solution strengthening was applied to the results to evaluate the contributions of both dislocation types. The analysis reveals that screw dislocation motion controls the strength in allows with less than 40 at% titanium, while edge dislocation motion provides comparable strength for 60–80 at% titanium. These results in a system of reduced chemical complexity support the recent investigations of edge dislocation-controlled strengthening found in high-entropy alloys.
Atmospheric rivers that make landfall in India are associated with flooding
Authors: Mahto Shanti Shwarup , Nayak Munir Ahmad , Lettenmaier Dennis P. , Mishra Vimal
Published: April 2023

Atmospheric rivers often cause extreme precipitation at landfall, leading to floods. However, the underlying physical mechanism of atmospheric rivers and their linkage with flooding in India remain unrecognized. Here we use reanalysis and observations to diagnose the drivers of atmospheric rivers and unravel their crucial role in extreme precipitation and floods during 1951–2020. Moisture transport has significantly increased during 1951–2020, which is associated with strengthening winds that transport water vapor from the oceans. However, while there is a suggestive corresponding increase in the frequency of atmospheric rivers, it is not statistically significant. The atmospheric river catalogue that we developed shows that about 65% of landfalling atmospheric river were linked to floods during the 1985–2020 period. In addition, seven of India’s ten most severe floods in the summer monsoon season with substantial mortality were associated with atmospheric rivers. Better understanding and prediction of atmospheric rivers is crucial for flood mitigation.
An open-source deep learning network AVA-Net for arterial-venous area segmentation in optical coherence tomography angiography
Authors: Abtahi Mansour , Le David , Ebrahimi Behrouz , Dadzie Albert K. , Lim Jennifer I. , Yao Xincheng
Published: April 2023

Background

Differential artery-vein (AV) analysis in optical coherence tomography angiography (OCTA) holds promise for the early detection of eye diseases. However, currently available methods for AV analysis are limited for binary processing of retinal vasculature in OCTA, without quantitative information of vascular perfusion intensity. This study is to develop and validate a method for quantitative AV analysis of vascular perfusion intensity.

Method

A deep learning network AVA-Net has been developed for automated AV area (AVA) segmentation in OCTA. Seven new OCTA features, including arterial area (AA), venous area (VA), AVA ratio (AVAR), total perfusion intensity density (T-PID), arterial PID (A-PID), venous PID (V-PID), and arterial-venous PID ratio (AV-PIDR), were extracted and tested for early detection of diabetic retinopathy (DR). Each of these seven features was evaluated for quantitative evaluation of OCTA images from healthy controls, diabetic patients without DR (NoDR), and mild DR.

Results

It was observed that the area features, i.e., AA, VA and AVAR, can reveal significant differences between the control and mild DR. Vascular perfusion parameters, including T-PID and A-PID, can differentiate mild DR from control group. AV-PIDR can disclose significant differences among all three groups, i.e., control, NoDR, and mild DR. According to Bonferroni correction, the combination of A-PID and AV-PIDR can reveal significant differences in all three groups.

Conclusions

AVA-Net, which is available on GitHub for open access, enables quantitative AV analysis of AV area and vascular perfusion intensity. Comparative analysis revealed AV-PIDR as the most sensitive feature for OCTA detection of early DR. Ensemble AV feature analysis, e.g., the combination of A-PID and AV-PIDR, can further improve the performance for early DR assessment.
Quantum mechanical and classical calculation of the transport and relaxation properties of He⋯CO2 complex using a new PES
Authors: Nemati-Kande Ebrahim , Aghababaei Fatemeh , Sadeghi Salar
Published: April 2023

The PES of the He⋯CO2 van der Waals complex was extracted from ab-initio method and used to calculate the transport and relaxation properties of the complex using quantum mechanical close-coupling, classical Chapman–Enskog, and classical molecular dynamics simulation methods.
The modulated oxygen evolution reaction performance of LaFeO3 with abundant electronic structures via a design of stoichiometry offset
Authors: Zhang Yuan , Xu Hang , Liu Mei , Qi Ji , Hu Linglong , Feng Ming , Lü Weiming
Published: April 2023

The multiple 3d electronic structures are achieved by the stoichiometric design in LaFeO3−δ epitaxial thin films for enhanced oxygen evolution reaction performance.
Division in synthetic cells
Authors: Chang Mu-Yueh , Ariyama Hirotaka , Huck Wilhelm T. S. , Deng Nan-Nan
Published: April 2023

In this review, we summarize the strategies of inducing division in synthetic cells by using physical, chemical, and biological stimuli, and highlight the future challenges to the construction of autonomous synthetic cell division.
Inhibition of Ca2+-calpain signaling is a new mechanism using Laminaria japonica polysaccharide to prevent macrophage foam cell formation and atherosclerosis
Authors: Li Xue-Ying , Kuang Dan-Dan , Guo An-Jun , Deng Yuan-Yuan , Pan Li-Hua , Li Qiang-Ming , Luo Jian-Ping , Zha Xue-Qiang
Published: April 2023

The LJP61A suppressed macrophage foam cell formation and atherosclerotic progression by modulating Ca2+-calpain mediated autophagy inhibition.
The shape anisotropy of magnetic nanoparticles: an approach to cell-type selective and enhanced internalization
Authors: Potrč Tanja , Kralj Slavko , Nemec Sebastjan , Kocbek Petra , Erdani Kreft Mateja
Published: April 2023

Spherical nanoparticles and anisotropic magnetic nanochains were synthesized, and the impact of their shape anisotropy on cellular uptake was studied. Our findings reveal significant differences in the extent of their intracellular accumulation.
Comparison of the pharmacokinetics of timosaponin AIII, timosaponin BIII, and mangiferin extracted from crude and salt-processed Anemarrhenae Rhizoma by UPLC-MS/MS
Authors: Wang XiaoTing , Yu YingQi , Pei LinXiu , Gao Hui
Published: April 2023

PK was used to elucidate the synergistic mechanism of the three components after salt processing based on the absorption profiles of the three compounds in vivo.
On the coexistence of ferroelectric and antiferroelectric polymorphs in NaNbO3 fibers at room temperature
Authors: Teixeira Guilhermina Ferreira , Seleghini Heitor Secco , Bastos Wagner Benício , Jacomaci Natalia , Stojadinović Bojan , Dohčević-Mitrović Zorana , Colmati Flavio , San-Miguel Miguel Angel , Longo Elson , Zaghete Maria Aparecida
Published: April 2023

We report the connection between the piezoelectric effect and the crystalline structure of NaNbO3. Rietveld refinement and piezoresponse force microscopy were important tools to discover that the fibers are composed of a mix of phases.
Electrical properties of amorphous Zn–Sn–O thin films depending on composition and post-deposition annealing temperature near crystallization temperature
Authors: Kim Whayoung , Kang Sukin , Lee Yonghee , Mun Sahngik , Choi Jinheon , Lee Sunjin , Hwang Cheol Seong
Published: April 2023

This study investigated the crystallization and electrical properties of atomic layer deposited Zn–Sn–O (ZTO) thin films. Sn 42 at% ZTO thin film showed the best thermal stability and electrical properties due to a change in the sub-gap states.
Metal–organic rotaxane frameworks constructed from a cucurbit[8]uril-based ternary complex for the selective detection of antibiotics
Authors: Wu Weijie , Xu Yinghao , Wang Shoujun , Pang Qingqing , Liu Simin
Published: April 2023

Two novel metal–organic rotaxane frameworks with 2D layered networks were synthesized by using a cucurbit[8]uril-based ternary complex, and they were found to be efficient in the selective detection of nitrofurazone.
Convergent paired electrolysis for zinc-mediated diastereoselective cinnamylation of α-amino esters
Authors: Park Hahyoun , Kim Minjun , Kang Jungtaek , Song Hyunjoon , Kim Hyunwoo
Published: April 2023

A paired electrochemical method is presented for the one-pot synthesis of γ,δ-unsaturated α-amino esters.
Selective photoelectrocatalytic oxidation of 3-methylpyridine to vitamin B3 by WO3 decorated nanotube-structured TiO2
Authors: Çetinkaya Sıdıka , Özcan Levent , Alagöz Oğuzhan , Palmisano Leonardo , Yurdakal Sedat
Published: April 2023

Photoelectrocatalytic and photolytic processes occurred competitively under UVA. The photolytic reactions reduced the vitamin B3 selectivity in a PEC reaction.
Modular synthesis of bicyclic twisted amides and anilines
Authors: Hindle Alexandra , Baj Krzysztof , Iggo Jonathan A. , Cox Daniel J. , Pask Christopher M. , Nelson Adam , Marsden Stephen P.
Published: April 2023

A modular approach to the synthesis of twisted bicyclic amides and anilines allows for variation in the degree of overlap between the nitrogen lone pair and the relevant π-system, and hence the structural and physical properties of the products.
Engineering magic number Au19 and Au20 cage structures using electron withdrawing atoms
Authors: Gaebler Heather M. , Castiglione Julianna R. , Hamilton Ian P.
Published: April 2023

Au18 cage structure: Each gold atom contributes one (6s) electron, and this structure has high spherical aromaticity and a large (negative) nucleus independent chemical shift. Its energy is competitive with that of Au18 compact structures.
Double nutation cross-polarization between heteronuclear spins in solids
Authors: Wang Yu , Takeda Kazuyuki
Published: April 2023

Double nutation of nuclear magnetizations transfers polarization from one spin species to another.
On the antiaromatic–aromatic–antiaromatic transition of the stacked cyclobutadiene dimer
Authors: Orozco-Ic Mesías , Sundholm Dage
Published: April 2023

We have studied the changes in the aromatic nature of two cyclobutadiene (C4H4) molecules on decreasing the intermolecular distance and approaching the cubane structure in a face-to-face fashion.
Facile synthesis of Sb3+-doped (Bmim)2InCl5(H2O) through a grinding method for light-emitting diodes
Authors: Hao Jiayue , An Ran , Li Yao , Wang Ke , Song Shuyan , Feng Jing , Wang Xinyu , Zhang Hongjie
Published: April 2023

Sb3+:(Bmim)2InCl5(H2O) with efficient orange broad emission was prepared by a grinding method. The WLED device packaged with Sb3+:(Bmim)2InCl5(H2O) and commercial phosphors on UV LED chips exhibits a high color rendering index.
Selenized glucose improves rat semen quality by improving the gut microbiota and serum metabolome
Authors: Sun Huimin , Lv Bo , Zhu Haiqin , Zeng Zhi , El-Ashram Saeed , Li Jinjin , Chao Yinying , Wang Juan , Wang Zhi
Published: April 2023

Selenized glucose was administered to rats by adding it to their drinking water. At a dose of 0.15 mg L−1 the quality of rat sperm was significantly improved. Additionally, the rat gut microbiota and serum metabolites also changed.
Water-induced efficient isomerization of glucose into fructose over the lithium loaded silicalite-1 catalyst at 50 °C
Authors: Zhang Yanfei , Liu Wang , Zhao Xinpeng , Miao Gai , Sun Mengya , Chen Xinqing , Luo Hu , Li Shenggang , Kong Lingzhao
Published: April 2023

Li/S-1 catalyst was used to achieve a fructose yield of 40.7 wt% with a selectivity of 99.9% from glucose in water at 50 °C.
Stabilizing a zinc anode via a tunable covalent organic framework-based solid electrolyte interphase
Authors: Aupama Vipada , Kao-ian Wathanyu , Sangsawang Jinnawat , Mohan Gopalakrishnan , Wannapaiboon Suttipong , Mohamad Ahmad Azmin , Pattananuwat Prasit , Sriprachuabwong Chakrit , Liu Wei-Ren , Kheawhom Soorathep
Published: April 2023

Zinc anode with artificial solid electrolyte interphase made of covalent organic frameworks shows enhanced cyclability.
Synthesis and screening of cyclic diketone indanedione derivatives as future scaffolds for neutrophil elastase inhibition
Authors: S. Meena , S. Jubie , C. Pramila , A. Manal T. N. , S. Gigi
Published: April 2023

A new class of indanedione analogues as human neutrophil elastase (HNE) inhibitors.
Copper-doped perylene diimide supramolecules combined with TiO2 for efficient photoactivity
Authors: Liang Yu , Gui Wanrui , Yang Zhihong , Cheng Kang , Zhou Xin , Yang Can , Xu Jianmei , Zhou Wei
Published: April 2023

Designing organic–inorganic hybrid semiconductors is an effective strategy for improving the performance of the photocatalyst under visible light irradiation.
Synthesis, DNA binding and biological evaluation of benzimidazole Schiff base ligands and their metal(ii) complexes
Authors: Mahmood Khalid , Akhter Zareen , Perveen Fouzia , Aisha  , Bibi Muneeba , Ismail Hammad , Tabassum Nida , Yousuf Sammer , Ashraf Ahmad Raza , Qayyum Muhammad Abdul
Published: April 2023

Two novel benzimidazole ligands (E)-2-((4-(1H-benzo[d]imidazole-2-yl)phenylimino)methyl)-6-bromo-4-chlorophenol and (E)-1-((4-(1H-benzo[d]imidazole-2-yl)phenylimino)methyl) naphthalene-2-ol and their Cu(ii), Ni(ii), Pd(ii) and Zn(ii) complexes were designed and synthesized.
Synthesis and characterization of low surface energy thermoplastic polyurethane elastomers based on polydimethylsiloxane
Authors: Sun Jie , Zou Xiaobin , Xu Zhiqian , Ge Zhen
Published: April 2023

Increasing the PDMS content in TPUs resulted in a decrease in the static contact angle to an almost constant value and a improvement of anti-graffiti and self-cleaning properties.
Tunable ultra-broadband terahertz metamaterial absorber based on vanadium dioxide strips
Authors: Gevorgyan Lilit , Haroyan Hovhannes , Parsamyan Henrik , Nerkararyan Khachatur
Published: April 2023

A simple design of a tunable ultra-broadband metamaterial absorber of terahertz (THz) radiation based on vanadium dioxide (VO2) configurations is proposed, having wide incidence angle tolerance and polarization insensitivity.
Sophorolipid-toluidine blue conjugates for improved antibacterial photodynamic therapy through high accumulation
Authors: Gu Xiaoxiao , Xu Lixian , Yuan Haoyang , Li Cailing , Zhao Juan , Li Shuang , Yu Dinghua
Published: April 2023

Triple structural factors, including sophorose affinity to envelope, hydrophobic association with membrane and electrostatic attraction, have contributed to enhanced antibacterial photodynamic therapy of sophorolipid conjugated toluidine blue.
Efficient blue-phosphorescent trans-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes
Authors: Nguyen Yennie H. , Dang Vinh Q. , Soares João Vitor , Wu Judy I. , Teets Thomas S.
Published: April 2023

Blue-phosphorescent platinum bis-acetylide complexes with two acyclic diaminocarbene (ADC) supporting ligands are described, with sequential beneficial effects of the ADCs on quantum yield and lifetime.
Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition
Authors: Sun Xiaofei , Hinz Alexander , Schulz Stephan , Zimmermann Lisa , Scheer Manfred , Roesky Peter W.
Published: April 2023

Insertion and functionalization of gallasilylenes [LPhSi–Ga(Cl)LBDI] (LPh= PhC(NtBu)2; LBDI= [{2,6-iPr2C6H3NCMe}2CH]) into thecyclo-E5rings of [Cp*Fe(η5-E5)] (Cp* =η5-C5Me5; E = P, As) are reported.
Transcription activation by the resistance protein AlbA as a tool to evaluate derivatives of the antibiotic albicidin
Authors: Kosol Simone , Rostock Lida , Barsig Jonas , Tabarelli Theresa , Hommernick Kay , Kulike Marcel , Eulberg Tobias , Seidel Maria , Behroz Iraj , Kleebauer Leonardo , Grätz Stefan , Mainz Andi , Süssmuth Roderich D.
Published: April 2023

Exploiting the transcription regulatory activity of the AlbA resistance protein enables the design of improved albicidin analogs that can overcome the resistance mechanism.
Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria
Authors: Gong Jianye , Liu Lingxiu , Li Chunbin , He Yumao , Yu Jia , Zhang Ying , Feng Lina , Jiang Guoyu , Wang Jianguo , Tang Ben Zhong
Published: April 2023

An efficient type I zwitterionic photosensitizer MPD-O was constructed by an oxidization strategy, providing a new guideline for the development of AIE-active type I photosensitizers.
Archetypical 2D sheet-like Cu2MoS4 for all-solid-state symmetric pseudocapacitors with ultra-steady performance efficiency
Authors: Sonia Yogesh Kumar , Meher Sumanta Kumar
Published: April 2023

2D sheet-like Cu2MoS4 with rich phase purity, low crystallinity and high surface area possesses novel physicoelectrochemical characteristics for application in all-solid-state symmetric pseudocapacitors with remarkable performance efficiency.
Membrane curvature sensing by model biomolecular condensates
Authors: Anila Midhun Mohan , Ghosh Rikhia , Różycki Bartosz
Published: April 2023

Coarse-grained simulations show that biomolecular condensates of galectin-3 form spontaneously on top of membrane regions curved inward.
Synthesis of platinum group metal nanoparticles assisted by CO2reduction and H2cogeneration at gas-diffusion electrodes
Authors: Martinez-Mora Omar , Pozo Guillermo , Leon-Fernandez Luis Fernando , Fransaer Jan , Dominguez-Benetton Xochitl
Published: April 2023

Platinum group metal nanoparticles (Pt, Pd, and Rh) were synthesized in aqueous NaCl solutions using, as reducing agent, H2/CO electrogeneratedin situby the reduction of CO2and water.
UN Sustainable Development Goals 14 and 15 – Life below water, Life on land
Authors: Kerton Francesca M.
Published: April 2023

Our impact on all forms of life on land and in water could be reduced by considering the full lifecycle of chemicals. Ocean life is especially at risk via acidification, eutrophication and plastic pollution.
Competitive electronic and steric effects in the spin-state modulation of a 3D-Hofmann framework and its extension towards the nanoscale
Authors: Mondal Dibya Jyoti , Kumar Bhart , Paul Abhik , Konar Sanjit
Published: April 2023

Modulating the SCO behaviour in porous coordination polymers is not only an excellent way to address the challenges associated with high-order data storage, but the colour change involved in the process reveals their thermal and optical sensors.
An ultralow-k dielectric derived from a fluorinated polybenzoxazole composite film with yolk–multishell mesoporous silica nanostructures
Authors: Zhang Zhe , He Peng , Ma Wenjun , Zuo Peiyuan , Liu Xiaoyun , Zhuang Qixin
Published: April 2023

We report a yolk–multishell mesoporous silica/fluorinated polybenzoxazole composite film with great thermal properties and ultra-low dielectric constant (k = 1.87).
Asymmetric diarylamine guests for a host–guest system with stimulus-responsive room temperature phosphorescence
Authors: Chen Jinzheng , Lin Faxu , Liang Guodong , Huang Huahua , Qin Tian , Yang Zhiyong , Chi Zhenguo
Published: April 2023

The Förster resonance energy transfer (FRET) process has been utilized to construct host–guest systems with stimuli-responsive room-temperature phosphorescence (RTP).
Compact high‐efficiency c‐band rectifier with high input power for microwave power transmission
Authors: Zeng Hongzheng , Tang Yuzhu , Liu Yunpeng
Published: April 2023

This letter presents a novel C‐band rectifier that is capable of handling high input power. The rectifier consists of a Schottky diode, an impedance matching circuit with a compensation microstrip structure, and an output filter with harmonic suppression and ripple smoothing. The experimental results indicate that the rectifier yields a conversion efficiency exceeding 70% and a peak efficiency of 74.1% over a wide input power range of 20 to 26 dBm (6 dB) at 5.8 GHz, utilizing a single Si‐based Schottky diode. Furthermore, the rectifier has a compact size of 28 mm × 15 mm. Given its cost‐effectiveness and outstanding performance, this rectifier presents an attractive option for large‐scale microwave power applications.
Enhancing time‐frequency resolution via deep‐learning framework
Authors: Wang Zixin , Chen Lixing , Xiao Peng , Xu Lingji , Li Zhenglin
Published: April 2023

The fixed window function used in the short‐time Fourier transform (STFT) does not guarantee both time and frequency resolution, exerting a negative impact on the subsequent study of time‐frequency analysis (TFA). To avoid these limitations, a post‐processing method that enhances the time‐frequency resolution using a deep‐learning (DL) framework is proposed. Initially, the deconvolution theoretical formula is derived and a post‐processing operation is performed on the time‐frequency representation (TFR) of the STFT via deconvolution, a theoretical calculation to obtain the ideal time‐frequency representation (ITFR). Then, aiming at the adverse influence of the window function, a novel fully‐convolutional encoder‐decoder network is trained to preserve effective features and acquire the optimal time‐frequency kernel. In essence, the generation of the optimal time‐frequency kernel can be regarded as a deconvolution process. The authors conducted the qualitative and quantitative analyses of numerical simulations, with experimental results demonstrate that the proposed method achieves satisfactory TFR, possesses strong anti‐noise capabilities, and exhibits high steady‐state generalisation capability. Furthermore, results of a comparative experiment with several TFA methods indicate that the proposed method yields significantly improved performance in terms of time‐frequency resolution, energy concentration, and computational load.
The Carnegie Supernova Project I
Authors: Stritzinger M. D. , Holmbo S. , Morrell N. , Phillips M. M. , Burns C. R. , Castellón S. , Folatelli G. , Hamuy M. , Leloudas G. , Suntzeff N. B. , Anderson J. P. , Ashall C. , Baron E. , Boissier S. , Hsiao E. Y. , Karamehmetoglu E. , Olivares F.
Published: April 2023

We present 170 optical spectra of 35 low-redshift stripped-envelope core-collapse supernovae observed by the Carnegie Supernova Project-I between 2004 and 2009. The data extend from as early as –19 days (d) prior to the epoch ofB-band maximum to +322 d, with the vast majority obtained during the so-called photospheric phase covering the weeks around peak luminosity. In addition to histogram plots characterizing the redshift distribution, number of spectra per object, and the phase distribution of the sample, spectroscopic classification is also provided following standard criteria. The CSP-I spectra are electronically available and a detailed analysis of the data set is presented in a companion paper being the fifth and final paper of the series.
Combined analysis of stellar and planetary absorption lines via global forward-transit simulations
Authors: Dethier W. , Bourrier V.
Published: April 2023

Context. Transit spectroscopy of exoplanets has led to the detection of many species whose absorption signatures trace their atmospheric structure and dynamics. Improvements in resolution and sensitivity have, however, revealed biases induced by stellar lines occulted by the transiting planet.

Aims. We characterise the planet-occulted line distortions (POLDs) in absorption spectra that arise from proxies used for the occulted stellar lines and investigate the impact of stellar rotation, centre-to-limb variations, and broadband limb-darkening.

Methods. We used the EVaporating Exoplanets (EVE) code to generate realistic stellar spectra during the transit of exoplanets, accounting for the 3D geometry of the system’s architecture and atmospheric transit, as well as for spectral variations over the stellar disc. The absorption spectra were calculated using approaches drawn from the literature and compared to the expected signal.

Results. The POLDs from stellar rotation are dominant for moderate to fast rotating stars, reaching amplitudes comparable to atmospheric signals, but they can be mitigated by shifting the stellar line proxies to the radial velocity of the planet-occulted region. Centre-to-limb variations become dominant for slow rotators and are more easily mitigated at the stellar limb. We re-interpret the ESPRESSO data of two iconic systems and confirm that the sodium signature from HD 209458 b mainly arises from POLDs. However, we unveil a possible contribution from the planetary atmosphere that warrants further observations. For MASCARA-1 b, we did not find evidence for atmospheric sodium absorption and we can fully explain the observed signature by a POLD for super-solar stellar sodium abundance.

Conclusions. We studied POLDs dependency on star and planet properties, and on the proxy used for planet-occulted lines. Distinguishing planetary absorption signatures from POLDs is challenging without access to accurate estimates of the local stellar spectrum and system orbital parameters. We propose a way to mitigate POLDs and improve atmospheric characterisation, by using simultaneous forward modelling of both the star and the planet to simulate the global observed signatures.