bluuebunny/crossref_metadata_2025 huggingface dataset:
Lightning at Jupiter pulsates with a similar rhythm as in-cloud lightning at Earth
Authors: Kolmašová Ivana , Santolík Ondřej , Imai Masafumi , Kurth William S. , Hospodarsky George B. , Connerney John E. P. , Bolton Scott J. , Lán Radek
Published: May 2023

Our knowledge about the fine structure of lightning processes at Jupiter was substantially limited by the time resolution of previous measurements. Recent observations of the Juno mission revealed electromagnetic signals of Jovian rapid whistlers at a cadence of a few lightning discharges per second, comparable to observations of return strokes at Earth. The duration of these discharges was below a few milliseconds and below one millisecond in the case of Jovian dispersed pulses, which were also discovered by Juno. However, it was still uncertain if Jovian lightning processes have the fine structure of steps corresponding to phenomena known from thunderstorms at Earth. Here we show results collected by the Juno Waves instrument during 5 years of measurements at 125-microsecond resolution. We identify radio pulses with typical time separations of one millisecond, which suggest step-like extensions of lightning channels and indicate that Jovian lightning initiation processes are similar to the initiation of intracloud lightning at Earth.
Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture
Authors: Passalacqua Luiz F. M. , Starich Mary R. , Link Katie A. , Wu Jiahui , Knutson Jay R. , Tjandra Nico , Jaffrey Samie R. , Ferré-D’Amaré Adrian R.
Published: May 2023

Beetroot is a homodimeric in vitro selected RNA that binds and activates DFAME, a conditional fluorophore derived from GFP. It is 70% sequence-identical to the previously characterized homodimeric aptamer Corn, which binds one molecule of its cognate fluorophore DFHO at its interprotomer interface. We have now determined the Beetroot-DFAME co-crystal structure at 1.95 Å resolution, discovering that this RNA homodimer binds two molecules of the fluorophore, at sites separated by ~30 Å. In addition to this overall architectural difference, the local structures of the non-canonical, complex quadruplex cores of Beetroot and Corn are distinctly different, underscoring how subtle RNA sequence differences can give rise to unexpected structural divergence. Through structure-guided engineering, we generated a variant that has a 12-fold fluorescence activation selectivity switch toward DFHO. Beetroot and this variant form heterodimers and constitute the starting point for engineered tags whose through-space inter-fluorophore interaction could be used to monitor RNA dimerization.
Pressure dependence in aqueous-based electrochemical CO2 reduction
Authors: Huang Liang , Gao Ge , Yang Chaobo , Li Xiao-Yan , Miao Rui Kai , Xue Yanrong , Xie Ke , Ou Pengfei , Yavuz Cafer T. , Han Yu , Magnotti Gaetano , Sinton David , Sargent Edward H. , Lu Xu
Published: May 2023

Electrochemical CO2 reduction (CO2R) is an approach to closing the carbon cycle for chemical synthesis. To date, the field has focused on the electrolysis of ambient pressure CO2. However, industrial CO2 is pressurized—in capture, transport and storage—and is often in dissolved form. Here, we find that pressurization to 50 bar steers CO2R pathways toward formate, something seen across widely-employed CO2R catalysts. By developing operando methods compatible with high pressures, including quantitative operando Raman spectroscopy, we link the high formate selectivity to increased CO2 coverage on the cathode surface. The interplay of theory and experiments validates the mechanism, and guides us to functionalize the surface of a Cu cathode with a proton-resistant layer to further the pressure-mediated selectivity effect. This work illustrates the value of industrial CO2 sources as the starting feedstock for sustainable chemical synthesis.
Rootstock–scion interaction affects Malus transcriptome profiles in response to cadmium
Authors: Huang Yijin , Sun Luyang , Wang Jiale , Chen Yahui , He Jiali , Lyu Deguo
Published: May 2023

Apple production is threatened by cadmium contamination in orchards. Cd accumulation and tolerance in grafted Malus plants is affected by rootstock, scion, and their interaction. This dataset is part of an experiment investigating the molecular mechanism of Cd bioaccumulation and tolerance in different apple rootstock-scion combinations. We exposed four rootstock–scion combinations to Cd treatment consisting of Hanfu and Fuji apple (Malus domestica) scions grafted onto apple rootstocks of M. baccata or M. micromalus “qingzhoulinqin”. RNA sequencing was conducted in roots and leaves of grafting combinations under 0 or 50 μM CdCl2 conditions. A comprehensive transcriptional dataset of affected rootstock, scion, and their interaction among different graft combinations was obtained. This dataset provides new insights in the transcriptional control of Cd bioaccumulation and tolerance in grafting plants regulated by rootstock and scion. Herein, we discuss the molecular mechanism underlying Cd absorption and bioaccumulation.
Changes in total cholesterol level and cardiovascular disease risk among type 2 diabetes patients
Authors: Khil Jaewon , Kim Sung Min , Chang Jooyoung , Choi Seulggie , Lee Gyeongsil , Son Joung Sik , Park Sang Min , Keum NaNa
Published: May 2023

Despite many diabetic patients having hypercholesterolemia, the association of total cholesterol (TC) levels with CVD risk in type 2 diabetes (T2D) patients is unclear. Diagnosis of type 2 diabetes often leads to changes in total cholesterol (TC) levels. Thus, we examined whether changes in TC levels from pre- to post-diagnosis of T2D were associated with CVD risk. From the National Health Insurance Service Cohort, 23,821 individuals diagnosed with T2D from 2003 to 2012 were followed-up for non-fatal CVD incidence through 2015. Two measurements of TC, 2 years before and after T2D diagnosis, were classified into 3 levels (low, middle, high) to define changes in cholesterol levels. Cox proportional hazards regression was performed to estimate adjusted hazards ratios (aHRs) and 95% confidence intervals (CIs) for the associations between changes in cholesterol levels and CVD risk. Subgroup analyses were performed by use of lipid-lowering drugs. Compared with low–low, aHR of CVD was 1.31 [1.10–1.56] for low–middle and 1.80 [1.15–2.83] for low–high. Compared with middle–middle, aHR of CVD was 1.10 [0.92–1.31] for middle–high but 0.83 [0.73–0.94] for middle–low. Compared with high–high, aHR of CVD was 0.68 [0.56–0.83] for high–middle and 0.65 [0.49–0.86] for high–low. The associations were observed regardless of use of lipid-lowering drugs. For diabetic patients, management of TC levels may be important to lower CVD risk.
A retrospective study of postoperative targeted therapy in ALK-positive lung cancer
Authors: Wang Bin , Song Yang , Chen Zhuo , Su Xiaona , Yang Xin , Wei Zhi , Chen Junxia , Chen Chuan , Li Mengxia
Published: May 2023

In this study, we aim to investigate the therapeutic effect and safety of ALK inhibitor in ALK-positive lung cancer patients. 59 patients with ALK-positive lung cancer from August 2013 to August 2022 were retrospectively recruited. The basic information, pathological type, clinical stage and treatment strategy were collected. These patients were divided into two groups, including 29 patients of conventional adjuvant chemotherapy, and 30 cases of targeted therapy. The patients in the targeted therapy group underwent adjuvant targeted therapy with crizotinib for 2 years. The observation indicators include curative effects and adverse events. The disease-free survival (DFS) and overall survival (OS) were also analyzed. We analyzed the pathological stages after adjuvant chemotherapy and targeted therapy in lung cancer, no significant difference in the p stage N and T was found between the two therapeutic groups. However, the DFS events, DFS median time and OS median time showed significant improvement in the targeted therapy group when compared with adjuvant chemotherapy (all P < 0.05). Besides, the patients under both therapeutic regimens presented some adverse events, among them elevated aspartate transaminase/alanine aminotransferase was the most common adverse event in all the patients, followed by nausea and vomiting. Our study identified that crizotinib-based postoperative targeted therapy helps improve the prognosis of patients with ALK-positive lung cancer, confirming that postoperative targeted therapy can be considered an effective and feasible therapeutic alternative.
Bioinformatics of cyanophycin metabolism genes and characterization of promiscuous isoaspartyl dipeptidases that catalyze the final step of cyanophycin degradation
Authors: Sharon Itai , Schmeing T. Martin
Published: May 2023

Cyanophycin is a bacterial biopolymer used for storage of fixed nitrogen. It is composed of a backbone of L-aspartate residues with L-arginines attached to each of their side chains. Cyanophycin is produced by cyanophycin synthetase 1 (CphA1) using Arg, Asp and ATP, and is degraded in two steps. First, cyanophycinase breaks down the backbone peptide bonds, releasing β-Asp-Arg dipeptides. Then, these dipeptides are broken down into free Asp and Arg by enzymes with isoaspartyl dipeptidase activity. Two bacterial enzymes are known to possess promiscuous isoaspartyl dipeptidase activity: isoaspartyl dipeptidase (IadA) and isoaspartyl aminopeptidase (IaaA). We performed a bioinformatic analysis to investigate whether genes for cyanophycin metabolism enzymes cluster together or are spread around the microbial genomes. Many genomes showed incomplete contingents of known cyanophycin metabolizing genes, with different patterns in various bacterial clades. Cyanophycin synthetase and cyanophycinase are usually clustered together when recognizable genes for each are found within a genome. Cyanophycinase and isoaspartyl dipeptidase genes typically cluster within genomes lacking cphA1. About one-third of genomes with genes for CphA1, cyanophycinase and IaaA show these genes clustered together, while the proportion is around one-sixth for CphA1, cyanophycinase and IadA. We used X-ray crystallography and biochemical studies to characterize an IadA and an IaaA from two such clusters, in Leucothrix mucor and Roseivivax halodurans, respectively. The enzymes retained their promiscuous nature, showing that being associated with cyanophycin-related genes did not make them specific for β-Asp-Arg dipeptides derived from cyanophycin degradation.
A quadratic time-dependent quantum harmonic oscillator
Authors: Onah F. E. , García Herrera E. , Ruelas-Galván J. A. , Juárez Rangel G. , Real Norzagaray E. , Rodríguez-Lara B. M.
Published: May 2023

We present a Lie algebraic approach to a Hamiltonian class covering driven, parametric quantum harmonic oscillators where the parameter set—mass, frequency, driving strength, and parametric pumping—is time-dependent. Our unitary-transformation-based approach provides a solution to our general quadratic time-dependent quantum harmonic model. As an example, we show an analytic solution to the periodically driven quantum harmonic oscillator without the rotating wave approximation; it works for any given detuning and coupling strength regime. For the sake of validation, we provide an analytic solution to the historical Caldirola–Kanai quantum harmonic oscillator and show that there exists a unitary transformation within our framework that takes a generalized version of it onto the Paul trap Hamiltonian. In addition, we show how our approach provides the dynamics of generalized models whose Schrödinger equation becomes numerically unstable in the laboratory frame.
Respiratory eukaryotic virome expansion and bacteriophage deficiency characterize childhood asthma
Authors: Megremis Spyridon , Constantinides Bede , Xepapadaki Paraskevi , Yap Chuan Fu , Sotiropoulos Alexandros G. , Bachert Claus , Finotto Susetta , Jartti Tuomas , Tapinos Avraam , Vuorinen Tytti , Andreakos Evangelos , Robertson David L. , Papadopoulos Nikolaos G.
Published: May 2023

Asthma development and exacerbation is linked to respiratory virus infections. There is limited information regarding the presence of viruses during non-exacerbation/infection periods. We investigated the nasopharyngeal/nasal virome during a period of asymptomatic state, in a subset of 21 healthy and 35 asthmatic preschool children from the Predicta cohort. Using metagenomics, we described the virome ecology and the cross-species interactions within the microbiome. The virome was dominated by eukaryotic viruses, while prokaryotic viruses (bacteriophages) were independently observed with low abundance. Rhinovirus B species consistently dominated the virome in asthma. Anelloviridae were the most abundant and rich family in both health and asthma. However, their richness and alpha diversity were increased in asthma, along with the co-occurrence of different Anellovirus genera. Bacteriophages were richer and more diverse in healthy individuals. Unsupervised clustering identified three virome profiles that were correlated to asthma severity and control and were independent of treatment, suggesting a link between the respiratory virome and asthma. Finally, we observed different cross-species ecological associations in the healthy versus the asthmatic virus-bacterial interactome, and an expanded interactome of eukaryotic viruses in asthma. Upper respiratory virome “dysbiosis” appears to be a novel feature of pre-school asthma during asymptomatic/non-infectious states and merits further investigation.
Sexual dimorphisms in serum calcium and phosphate concentrations in the Rotterdam Study
Authors: Bosman Ariadne , Koek W. Nadia H. , Campos-Obando Natalia , van der Eerden Bram C. J. , Ikram M. A. , Uitterlinden André G. , van Leeuwen Johannes P. T. M. , Zillikens M. C.
Published: May 2023

Sex differences in serum phosphate and calcium have been reported but the exact nature and underlying regulatory mechanisms remain unclear. We aimed to compare calcium and phosphate concentrations between sexes, and explore potential covariates to elucidate underlying mechanisms of sex differences in a prospective, population-based cohort study. Pooled data of subjects > 45 years from three independent cohorts of the Rotterdam Study (RS) were used: RS-I-3 (n = 3623), RS-II-1 (n = 2394), RS-III-1 (n = 3241), with separate analyses from an additional time point of the first cohort RS-I-1 (n = 2688). Compared to men, women had significantly higher total serum calcium and phosphate concentrations which was not explained by BMI, kidney function nor smoking. Adjustment for serum estradiol diminished sex differences in serum calcium while adjustment for serum testosterone diminished sex differences in serum phosphate. Adjustment for vitamin D and alkaline phosphatase did not change the association between sex and calcium or phosphate in RS-I-1. In the sex-combined group, both serum calcium and phosphate decreased with age with a significant interaction for sex differences for serum calcium but not phosphate. In sex-stratified analyses, serum estradiol but not testosterone was inversely associated with serum calcium in both sexes. Serum estradiol was inversely associated with serum phosphate in both sexes to a similar degree, while serum testosterone was inversely associated with serum phosphate in both sexes with an apparent stronger effect in men than in women. Premenopausal women had lower serum phosphate compared to postmenopausal women. Serum testosterone was inversely associated with serum phosphate in postmenopausal women only. In conclusion, women > 45 years have higher serum calcium and phosphate concentrations compared to men of similar age, not explained by vitamin D or alkaline phosphatase concentrations. Serum estradiol but not testosterone was inversely associated with serum calcium while serum testosterone was inversely associated with serum phosphate in both sexes. Serum testosterone may in part explain sex differences in serum phosphate while estradiol could partly explain sex differences in serum calcium.
The organellar genomes of Pellidae (Marchantiophyta): the evidence of cryptic speciation, conflicting phylogenies and extraordinary reduction of mitogenomes in simple thalloid liverwort lineage
Authors: Paukszto Łukasz , Górski Piotr , Krawczyk Katarzyna , Maździarz Mateusz , Szczecińska Monika , Ślipiko Monika , Sawicki Jakub
Published: May 2023

Organellar genomes of liverworts are considered as one of the most stable among plants, with rare events of gene loss and structural rearrangements. However, not all lineages of liverworts are equally explored in the field of organellar genomics, and subclass Pellidae is one of the less known. Hybrid assembly, using both short- and long-read technologies enabled the assembly of repeat-rich mitogenomes of Pellia and Apopellia revealing extraordinary reduction of length in the latter which impacts only intergenic spacers. The mitogenomes of Apopellia were revealed to be the smallest among all known liverworts—109 k bp, despite retaining all introns. The study also showed the loss of one tRNA gene in Apopellia mitogenome, although it had no impact on the codon usage pattern of mitochondrial protein coding genes. Moreover, it was revealed that Apopellia and Pellia differ in codon usage by plastome CDSs, despite identical tRNA gene content. Molecular identification of species is especially important where traditional taxonomic methods fail, especially within Pellidae where cryptic speciation is well recognized. The simple morphology of these species and a tendency towards environmental plasticity make them complicated in identification. Application of super-barcodes, based on complete mitochondrial or plastid genomes sequences enable identification of all cryptic lineages within Apopellia and Pellia genera, however in some particular cases, mitogenomes were more efficient in species delimitation than plastomes.
An enhanced view on the Mediterranean Sea crust from potential fields data
Authors: Sampietro Daniele , Capponi Martina , Thébault Erwan , Gailler Lydie
Published: May 2023

The Earth’s crust is exceptionally important to understand the geological evolution of our planet and to access natural resources as minerals, critical raw materials, geothermal energy, water, hydrocarbons, etc.. However, in many regions of the world it is still poorly modelled and understood. Here we present the latest advance on three-dimensional modelling of the Mediterranean Sea crust based on freely available global gravity and magnetic field models. The proposed model, based on the inversion of gravity and magnetic field anomalies constrained by available a-priori information (such as interpreted seismic profiles, previous studies, etc.), provides, with an unprecedented spatial resolution of 15 km, the depths of the main modelled geological horizons (Plio-Quaternary, Messinian and Pre-Messinian sediments, crystalline crust and upper mantle), coherent with the known available constraints, together with the three-dimensional distribution of density and magnetic susceptibility. The inversion is carried out by means of a Bayesian algorithm, which allows to modify at the same time the geometries and the three dimensional distributions of density and magnetic susceptibility, always respecting the constraints introduced by the initial information. In addition to unveil the structure of the crust beneath the Mediterranean Sea, the present study also shows the informative content of freely available global gravity and magnetic models, thus putting the base for the development of future high resolution models of the Earth crust at global level.
AZD5438 a GSK-3a/b and CDK inhibitor is antiapoptotic modulates mitochondrial activity and protects human neurons from mitochondrial toxins
Authors: Shi Gongyu , Scott Helen , Azhar Nur Izzah Farhana Mohamad , Gialeli Andriana , Clennell Benjamin , Lee Keng Siang , Hurcombe Jenny , Whitcomb Daniel , Coward Richard , Wong Liang-Fong , Cordero-Llana Oscar , Uney James B.
Published: May 2023

We previously reported that kenpaullone, which inhibits GSK-3a/b and CDKs inhibited CCCP mediated mitochondrial depolarisation and augments the mitochondrial network. To investigate the actions of this class of drug further, we compared the ability of kenpaullone, alsterpaullone, 1-azakenapaullone, AZD5438, AT7519 (CDK and GSK-3a/b inhibitors) and dexpramipexole and olesoxime (mitochondrial permeability transition pore inhibitors) to prevent CCCP mediated mitochondrial depolarisation and found that AZD5438 and AT7519, were the most effective. Furthermore, treatment with AZD5438 alone increased the complexity of the mitochondrial network. We also found that AZD5438 prevented the rotenone induced decrease in PGC-1alpha and TOM20 levels and that it mediated powerful anti-apoptotic effects and promoted glycolytic respiration. Importantly, experiments in human iPSC derived cortical and midbrain neurons showed AZD5438 mediated significant protective effects, preventing the neuronal cell death, and collapse in the neurite and mitochondrial network associated with rotenone treatment. These results suggest drugs that target GSK-3a/b and CDKs should be developed and assessed further as they may have significant therapeutic potential.
Eight-year tillage in black soil, effects on soil aggregates, and carbon and nitrogen stock
Authors: Wang Ling , Qi Shengjie , Gao Wenfang , Luo Yang , Hou Yunpeng , Liang Yao , Zheng Hongbing , Zhang Shuimei , Li Ruiping , Wang Meng , Zheng Jinyu , Gao Zhiwei
Published: May 2023

The effects of different tillage management practices on the soil aggregates, soil carbon stock (STCS), and soil nitrogen stock (STNS) are key issues in agricultural research. We conducted an 8-year field experiment to evaluate the effects of different tillage methods: stubble cleaning and ridging (CK), no-tillage with stubble retention (NT), plow tillage (PT), and width lines (WL) on soil aggregates, STCS, and STNS in the black soil corn continuous cropping area of Northeast China. Different tillage methods predominantly affected the soil aggregates in the 2–0.25 mm and 0.25–0.053 mm size classes. The PT methods increased the proportion of macroaggregates and improved the quality of the soil aggregates. PT methods significantly increased the soil organic carbon content at the 0–30 cm layer by changing the number of soil macroaggregates. The PT practices are better strategies for enhancing soil carbon sinks, and the WL method increased the total amount of N in the soil pool. Our results suggest that the PT and WL methods are the best strategies for improving the quality of soil aggregates and preventing/reducing depletion of soil C and N in a black soil area of Northeast China.
Mechanism modeling and application of Salvia miltiorrhiza percolation process
Authors: Wang Wanying , Ding Feng , Qu Haibin , Gong Xingchu
Published: May 2023

Percolation is a common extraction method of food processing industry. In this work, taking the percolation extraction of salvianolic acid B from Salvia miltiorrhiza (Salviae Miltiorrhizae Radix et Rhizoma) as an example, the percolation mechanism model was derived. The volume partition coefficient was calculated according to the impregnation. experiment. The bed layer voidage was measured by single-factor percolation experiment and the internal mass transfer coefficient was calculated by the parameters obtained by fitting the impregnation kinetic model. After screening, the Wilson and Geankoplis, and Koch and Brady formulas were used to calculate the external mass transfer coefficient and the axial diffusion coefficient, respectively. After substituting each parameter into the model, the process of percolation of Salvia miltiorrhiza was predicted, and the coefficient of determination R2 was all greater than 0.94. Sensitivity analysis was used to show that all the parameters studied had a significant impact on the prediction effect. Based on the model, the design space including the range of raw material properties and process parameters was established and successfully verified. At the same time, the model was applied to the quantitative extraction and endpoint prediction of the percolation process.
Complex implementation factors demonstrated when evaluating cost-effectiveness and monitoring racial disparities associated with [18F]DCFPyL PET/CT in prostate cancer men
Authors: Subramanian Kritika , Martinez Juana , Huicochea Castellanos Sandra , Ivanidze Jana , Nagar Himanshu , Nicholson Sean , Youn Trisha , Nauseef Jones T. , Tagawa Scott , Osborne Joseph R.
Published: May 2023

Prostate cancer (PC) staging with conventional imaging often includes multiparametric magnetic resonance (MR) of the prostate, computed tomography (CT) of the chest, abdomen, and pelvis, and whole-body bone scintigraphy. The recent development of highly sensitive and specific prostate specific membrane antigen (PSMA) positron emission tomography (PET) has suggested that prior imaging techniques may be insufficiently sensitive or specific, particularly when evaluating small pathologic lesions. As PSMA PET/CT is considered to be superior for multiple clinical indications, it is being deployed as the new multidisciplinary standard-of-care. Given this, we performed a cost-effectiveness analysis of [18F]DCFPyL PSMA PET/CT imaging in the evaluation of PC relative to conventional imaging and anti-3-[18F]FACBC (18F-Fluciclovine) PET/CT. We also conducted a single institution review of PSMA PET/CT scans performed primarily for research indications from January 2018 to October 2021. Our snapshot of this period of time in our catchment demonstrated that PSMA PET/CT imaging was disproportionately accessed by men of European ancestry (EA) and those residing in zip codes associated with a higher median household income. The cost-effectiveness analysis demonstrated that [18F]DCFPyL PET/CT should be considered as an alternative to anti-3-[18F]FACBC PET/CT and standard of care imaging for prostate cancer staging. [18F]DCFPyL PET/CT is a new imaging modality to evaluate PC patients with higher sensitivity and specificity in detecting disease than other prostate specific imaging studies. Despite this, access may be inequitable. This discrepancy will need to be addressed proactively as the distribution network of the radiotracer includes both academic and non-academic sites nationwide.
In-silico investigations of haemodynamic parameters for a blunt thoracic aortic injury case
Authors: Dadras Rezvan , Jabbari Alireza , Asl Narges Kamaei , Soltani Madjid , Rafiee Farnaz , Parsaee Mozhgan , Golchin Shadi , Pouraliakbar Hamidreza , Sadeghipour Parham , Alimohammadi Mona
Published: May 2023

Accounting for 1.5% of thoracic trauma, blunt thoracic aortic injury (BTAI) is a rare disease with a high mortality rate that nowadays is treated mostly via thoracic endovascular aortic repair (TEVAR). Personalised computational models based on fluid–solid interaction (FSI) principals not only support clinical researchers in studying virtual therapy response, but also are capable of predicting eventual outcomes. The present work studies the variation of key haemodynamic parameters in a clinical case of BTAI after successful TEVAR, using a two-way FSI model. The three-dimensional (3D) patient-specific geometries of the patient were coupled with three-element Windkessel model for both prior and post intervention cases, forcing a correct prediction of blood flow over each section. Results showed significant improvement in velocity and pressure distribution after stenting. High oscillatory, low magnitude shear (HOLMES) regions require careful examination in future follow-ups, since thrombus formation was confirmed in some previously clinically reported cases of BTAI treated with TEVAR. The strength of swirling flows along aorta was also damped after stent deployment. Highlighting the importance of haemodynamic parameters in case-specific therapies. In future studies, compromising motion of aortic wall due to excessive cost of FSI simulations can be considered and should be based on the objectives of studies to achieve a more clinical-friendly patient-specific CFD model
Long-term risk of major adverse cardiovascular events following ischemic stroke or TIA
Authors: Carlsson Andreas , Irewall Anna-Lotta , Graipe Anna , Ulvenstam Anders , Mooe Thomas , Ögren Joachim
Published: May 2023

Data are scarce on long-term outcomes after ischemic stroke (IS) or transient ischemic attack (TIA). In this prospective cohort study, we examined the cumulative incidence of major adverse cardiovascular events (MACE) after IS and TIA using a competing risk model and factors associated with new events using a Cox-proportional hazard regression model. All patients discharged alive from Östersund Hospital with IS or TIA between 2010 and 2013 (n = 1535) were followed until 31 December 2017. The primary endpoint was a composite of IS, type 1 acute myocardial infarction (AMI), and cardiovascular (CV) death. Secondary endpoints were the individual components of the primary endpoint, in all patients and separated in IS and TIA subgroups. The cumulative incidence of MACE (median follow-up: 4.4 years) was 12.8% (95% CI: 11.2–14.6) within 1 year after discharge and 35.6% (95% CI: 31.8–39.4) by the end of follow-up. The risk of MACE and CV death was significantly increased in IS compared to TIA (p-values < 0.05), but not the risk of IS or type 1 AMI. Age, kidney failure, prior IS, prior AMI, congestive heart failure, atrial fibrillation, and impaired functional status, were associated with an increased risk of MACE. The risk of recurring events after IS and TIA is high. IS patients have a higher risk of MACE and CV death than TIA patients.
Biocatalytic synthesis of oxadiazole thioethers and evaluation of their antitumor activity
Authors: Neissari Negin , Shahedi Mansour , Habibi Zohreh , Yousefi Maryam , Minai-Tehrani Arash , Yazdi Samadi Fatemeh , Brask Jesper , Bavandi Hossein , Mohammadi Mehdi
Published: May 2023

The one-pot synthesis of new derivatives of 1,3,4-oxadiazole thioether through the biocatalytic Knoevenagel/decarboxylation/thiol-Michael reaction and their cytotoxic activities against two cancer cell lines are reported.
Blooming student difficulties in dealing with organic reaction mechanisms – an attempt at systemization
Authors: Asmussen Gyde , Rodemer Marc , Bernholt Sascha
Published: May 2023

Students are known to have various difficulties in dealing with organic reaction mechanisms. A systematic classification of these difficulties appears necessary to design appropriate support. This paper presents insights into whether and how Bloom's revised taxonomy can be used to classify student difficulties in dealing with organic reaction mechanisms. We conducted an interview study with 12 undergraduate chemistry students using problem-solving tasks on nucleophilic substitution and elimination reactions to provide examples to test the classification. In our attempt at systemization, student difficulties are perceived as unachieved learning objectives. The classification reveals that student difficulties pertain to different cognitive process and knowledge dimensions. Specific major difficulties occurred within each cell of Bloom's revised taxonomy and for individual students. Our analysis suggests that general support for dealing with reaction mechanisms might be less beneficial for some students and that more adapted support is needed. Our approach of using Bloom's revised taxonomy to classify student difficulties might also benefit other domains to better understand student difficulties and evaluate appropriate support.
CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution
Authors: Spackman Peter R. , Walisinghe Alvin J. , Anderson Michael W. , Gale Julian D.
Published: May 2023

We present a new protocol for the prediction of free energies that determine the growth rates of sites in molecular crystals for subsequent use in Monte Carlo simulations using tools such as CrystalGrower.
A review of boron nitride-based photocatalysts for carbon dioxide reduction
Authors: Laghaei Milad , Ghasemian Mohsen , Lei Weiwei , Kong Lingxue , Chao Qi
Published: May 2023

The conversion of carbon dioxide (CO2) into valuable chemicals by photoreduction is an effective strategy for tackling the global warming conundrum.
Colorimetric detection of ozone in aqueous solution and imaging in living cells using a novel hemicyanine dye
Authors: Gao Xia , Yu Guo , Liu Xuehan , Xu Yinlan , Zhang Pengbo , Wu Weidong
Published: May 2023

A novel probe is developed for the quantitative and “naked-eye” determination of ozone in air and living cells.
Switching the chemoselectivity of perakine reductase for selective reduction of α,β-unsaturated ketones by Arg127 mutation
Authors: Zhang Zehao , Zhou Yun , Zhao Hong , Wu Yihang , Sun Lianli
Published: May 2023

The chemoselectivity of perakine reductase (PR) was engineered through rational design.
Complexation with pagoda[n]arene (n= 4, 5) protects ferrocenium from oxidation
Authors: Chen Gui-Hua , Duan Yi-Meng , Li Ying , Han Xiao-Ni , Wang Kun-Peng , Hu Zhi-Qiang , Chen Chuan-Feng
Published: May 2023

The inclusion complexes of pagoda[n]arenes with ferrocenium can prevent the destruction of oxygen to ferrocenium in organic solvent and improve the stability and oxygen resistance.
Visible-light driven acetoxylation and dioxygenation of indoles via electron donor–acceptor complexes
Authors: Paul Aditya , Sengupta Arunava , Yadav Somnath
Published: May 2023

Exploitation of the visible light-induced photoreactivity of an electron donor–acceptor complex of indoles and a hypervalent iodine compound led to the development of methodologies for the synthesis of 3-acetoxyindoles and isatins.
Enhanced photocatalytic activity of Ag2S particle decorated S-doped WO3 nanorods synthesized through two-stage vaporous vulcanization processes
Authors: Liang Yuan-Chang , Chen Bo-Yue
Published: May 2023

Ag2S particle decorated S-doped WO3 nanorods formed by vaporous-assisted vulcanization exhibit high photocatalytic activity.
Mechanisms and energetics of benzophenone photosensitized thymine damage and repair from Paternò–Büchi cycloaddition
Authors: Su Yingli , Shen Yan , Li Xiangyuan , Ren Haisheng
Published: May 2023

Here, we report the detailed mechanisms of benzophenone (BZP) photosensitized thymine damage and repair by Paternò–Büchi (PB) cycloaddition.
Stimuli-responsive ferroptosis for cancer therapy
Authors: Kang Nayeon , Son Subin , Min Sunhong , Hong Hyunsik , Kim Chowon , An Jusung , Kim Jong Seung , Kang Heemin
Published: May 2023

This review highlights recent advances in the utilization of various endogenous and exogenous stimuli to activate nanocarrier-based ferroptosis cancer therapy that can be effective in treating conventional drug-resistant tumors.
Methyl mercaptan production – catalysts and processes
Authors: Bayout Abdelilah , Cammarano Claudia , Medeiros Costa Izabel , Veryasov Gleb , Hulea Vasile
Published: May 2023

Catalysts and processes involved in the production of methyl mercaptan by mature and emerging technologies are reviewed.
Skeletally substituted aluminium and gallium carbenoids: a computational exploration
Authors: Ahmed Sahtaz , Fernández Israel , Phukan Ashwini K.
Published: May 2023

Quantum chemical calculations have been performed to explore the electronic and ligand properties of skeletally modified β-diketiminate stabilized Al(i)/Ga(i) carbenoids as well as to probe their ability in small molecule activation.
In situ fabrication of a 3D self-supported porous Ni–Mo–Cu catalyst for an efficient hydrogen evolution reaction
Authors: Miao Fang , Cui Peng , Yu Shijie , Gu Tao
Published: May 2023

A 3D self-supported porous Ni–Mo–Cu coating catalyst was prepared, which exhibits a high HER activity and excellent catalytic stability even at a high current density of 500 mA cm−2 in alkaline media.
Correction: Exploring potential dual-stage attention based recurrent neural network machine learning application for dosage prediction in intelligent municipal management
Authors: Fang Xusheng , Zang Jian , Zhai Zhengang , Zhang Li , Shu Ziyu , Liang Yuqi
Published: May 2023

Correction for ‘Exploring potential dual-stage attention based recurrent neural network machine learning application for dosage prediction in intelligent municipal management’ by Xusheng Fang et al., Environ. Sci.: Water Res. Technol., 2023, 9, 890–899, https://doi.org/10.1039/D2EW00560C.
Photoelectrochemical NADH regeneration on a polymer semiconductor-based photocathode
Authors: Li Nanxin , You Jia , Huang Lanlan , Zhang Haoran , Wang Xianlong , He Lihua , Gong Chunli , Lin Shiwei , Zhang Bingging
Published: May 2023

Semiconductor pTTh shows an unprecedentedly positive onset potential of 0.6 V vs. RHE for achieving an enzymatically active product of 1,4-NADH.
Halogen-bonded co-crystals with AIE-active α-cyanostilbenes
Authors: Dahiwadkar Rahul , Dubey Gurudutt , Shaik Althaf , Jana Palash , Thiruvenkatam Vijay , Kanvah Sriram
Published: May 2023

A cooperative co-crystal and co-gels were obtained from combining two different aggregation-induced emitting cyanostilbene units through halogen bonding interaction.
Producing green hydrogen in an efficient way using a nexus of a waste-biomass derived catalyst and a cost-effective & scalable electrode platform
Authors: Kirti  , Singh Amravati S. , Patel Kinjal B. , Patil Ashish A. , Biradar Ankush V. , Srivastava Divesh N.
Published: May 2023

Green hydrogen has emerged as a promising clean energy carrier and renewable energy storage option.
Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(iii) salen catalyst
Authors: Hansen Nicolai S. B. , Monda Fabrizio , Bro Frederik Simonsen , Liu Xiyue , Ahlquist Mårten S. G. , Madsen Robert
Published: May 2023

An iron(iii) salen complex has been developed as a new precatalyst for the acceptorless dehydrogenation of alcohols and mechanistic studies by experimental and theoretical methods indicated iron particles as the catalytically active species.
A bifunctional imidazolium-based cholesterol analog for the tracking of cellular cholesterol distributions and cholesterol–protein interactions
Authors: Wegner Tristan , Matos Anna L. L. , Porte Karine , Mehring Kira , Pierau Marco , Horstmeier Hendrik , Gerke Volker , Glorius Frank
Published: May 2023

Lipid mimetics are pivotal tools for lipid biology research. Herein, a bifunctional cholesterol mimetic was designed and investigated for its potential to enable concurrent exploration of cellular cholesterol distributions and protein interactions.
New P,Nsp3ligands for palladium-catalyzed asymmetric allylic substitutions
Authors: Su Qin , Hou Chuan-Jin , Wei De-Quan , Qin Hao , Liang Ding-Hua , Hu Xiang-Ping
Published: May 2023

New P,Nsp3bidentate ligands containing two chiral carbon centers were developed and applied to palladium-catalyzed asymmetric allylic substitution reactions.
Flow photolysis of aryldiazoacetates leading to dihydrobenzofurans via intramolecular C–H insertion
Authors: O'Callaghan Katie S. , Lynch Denis , Baumann Marcus , Collins Stuart G. , Maguire Anita R.
Published: May 2023

Metal-free C–H insertion via flow photolysis of aryldiazoacetates 3–5 with increased reaction efficiency in the presence of 4,4′-dimethoxybenzophenone.
Accuracy improvement via novel ratiometry design in distance-based microfluidic paper based analytical device: instrument-free point of care testing
Authors: Al-Jaf Sabah H. , Omer Khalid M.
Published: May 2023

Instrument-free and point-of-need microfluidic paper-based device for biomedical analysis.
Preparation and cutting performance study of YSZ-toughened PcBN superhard tools
Authors: Yue Yuxiao , Zhu Yumei , Li Zhihong
Published: May 2023

Titanium alloy, as a recognized difficult-to-cut material, places higher demands on the performance of cutting tools.
Flower ball cathode assembled from Cu doped Co3S4/Ni3S2 ultrathin nanosheets in a photocatalytic fuel cell for efficient photoelectrochemical rifampicin purification and simultaneous electricity generation based on a CuO QDs/TiO2/WO3 photoanode
Authors: Wang Yuling , Li Xiaolong , Fan Yankun , Wu Jun , Wu Xin , Xia Ligang , Yao Weifeng , Wu Qiang , Min Yulin , Xu Qunjie
Published: May 2023

The synergistic effect of copper and other metal ions maintains the stability of the system and improves the generation of ROS.
Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Authors: Wu Dongmei , Gucwa Michal , Czub Mateusz P. , Cooper David R. , Shabalin Ivan G. , Fritzen Remi , Arya Swati , Schwarz-Linek Ulrich , Blindauer Claudia A. , Minor Wladek , Stewart Alan J.
Published: May 2023

Serum albumin–Co2+ interactions are of clinical importance.
Organic semiconductor polymers: a carbazole-based novel tribopositive polymer for energy harvesting with high temperature stability
Authors: Shaukat Rayyan Ali , Ameen Shahid , Saqib Qazi Muhammad , Chougale Mahesh Y. , Kim Jungmin , Patil Swapnil R. , Noman Muhammad , Kim Hwan Kyu , Bae Jinho
Published: May 2023

A detailed description of the proposed triboelectric nanogenerator based on an organic semiconductor tribopositive polymer (MAP1-18) and its electrical energy generating performance.
Unravelling the CO2 capture and conversion mechanism of a NiRu–Na2O switchable dual-function material in various CO2 utilisation reactions
Authors: Merkouri Loukia-Pantzechroula , Martín-Espejo Juan Luis , Bobadilla Luis F. , Odriozola José Antonio , Penkova Anna , Ramirez Reina Tomas , Duyar Melis S.
Published: May 2023

The mechanism of a NiRuNa/CeAl dual function material in successive cycles of CO2 capture and conversion was investigated. Carbonyls and carbonates were formed during CO2 capture, and a spillover mechanism occurred to form the desired products.
Boride-mediated synthesis of a highly active cobalt-based electrocatalyst for alkaline hydrogen evolution reaction
Authors: Ren Yanmei , Wang Jiajun , Wang Weizhen , Wen He , Chen Muhua , Qiu Yuping , Li Guangyao , Yang Zhiqing , Wang Ping
Published: May 2023

A post-annealing treatment of Co2B/CoO/H3BO3 could dramatically improve the alkaline HER activity.
Protein cohabitation: long-term immunoglobulin G storage at room temperature
Authors: Bharmoria Pankaj , Ooi Saik Ann , Cellini Andrea , Tietze Daniel , Maj Michal , Moth-Poulsen Kasper , Tietze Alesia A.
Published: May 2023

We report a simple bioinspired strategy of protein cohabitation for long-term functional storage of therapeutic proteins at room temperature.
A chitosan-optimized polyethyleneimine/polyacrylic acid multifunctional hydrogel for reducing the risk of ulcerative arterial bleeding
Authors: Ni Panxianzhi , Ye Sheng , Xiong Shuting , Zhong Meng , Shan Jing , Yuan Tun , Liang Jie , Fan Yujiang , Zhang Xingdong
Published: May 2023

This work developed a polyethyleneimine/polyacrylic acid/chitosan (PEI/PAA/CS) multifunctional hydrogel, which can protect ulcer wound to prevent arterial bleeding, stop bleeding even if bleeding occurs, and promote wound repair.
Preparation of a high-efficiency low-toxicity CdS/C60 bactericide and investigation of the mechanism
Authors: Wei Xiufang , Zhao Yao , Zeng Shaohua , Nie Wangyan , Zhou Yifeng , Xu Ying , Chen Pengpeng
Published: May 2023

The introduction of C60 into the CdS/C60 composite significantly reduces the dissolution of Cd2+ in solution, and achieves higher bactericidal activity against S. aureus and E. coli.
Anti-inflammatory strategies for photothermal therapy of cancer
Authors: Shi Mingwan , Liu Xiaohan , Pan Wei , Li Na , Tang Bo
Published: May 2023

Various anti-inflammatory strategies to enhance the effect of photothermal therapy are summarized in this paper.
Correction: LHRH conjugated gold nanoparticles assisted efficient ovarian cancer targeting evaluated via spectral photon-counting CT imaging: a proof-of-concept research
Authors: Kumar Dhiraj , Moghiseh Mahdieh , Chitcholtan Kenny , Mutreja Isha , Lowe Chiara , Kaushik Ajeet , Butler Anthony , Sykes Peter , Anderson Nigel , Raja Aamir
Published: May 2023

Correction for ‘LHRH conjugated gold nanoparticles assisted efficient ovarian cancer targeting evaluated via spectral photon-counting CT imaging: a proof-of-concept research’ by Dhiraj Kumar et al., J. Mater. Chem. B, 2023, 11, 1916–1928, https://doi.org/10.1039/D2TB02416K.
Tailoring the 3D porous structure of conducting PEDOT:PSS gels via ice-templating
Authors: Weinbach Quentin , Hmili Naoures , Gottis Emma , Fleith Guillaume , Combet Jérôme , Papaefthimiou Vasiliki , Malesys Vincent , Denys Emmanuel , Simon Laurent , Schmutz Marc , Carvalho Alain , Constantin Doru , Biniek Laure
Published: May 2023

Well-controlled gelation of fibrillar PEDOT:PSS and growth of ice crystals yield robust anisotropic macroporous materials with a tuned pore size. The honey-comb like structure is at the origin of the low thermal conductivity.
Systematic online living evidence summaries: emerging tools to accelerate evidence synthesis
Authors: Hair Kaitlyn , Wilson Emma , Wong Charis , Tsang Anthony , Macleod Malcolm , Bannach-Brown Alexandra
Published: May 2023

Systematic reviews and meta-analysis are the cornerstones of evidence-based decision making and priority setting. However, traditional systematic reviews are time and labour intensive, limiting their feasibility to comprehensively evaluate the latest evidence in research-intensive areas. Recent developments in automation, machine learning and systematic review technologies have enabled efficiency gains. Building upon these advances, we developed Systematic Online Living Evidence Summaries (SOLES) to accelerate evidence synthesis. In this approach, we integrate automated processes to continuously gather, synthesise and summarise all existing evidence from a research domain, and report the resulting current curated content as interrogatable databases via interactive web applications. SOLES can benefit various stakeholders by (i) providing a systematic overview of current evidence to identify knowledge gaps, (ii) providing an accelerated starting point for a more detailed systematic review, and (iii) facilitating collaboration and coordination in evidence synthesis.
Cooperative hybrid beamforming design in Multi‐UAV MmWave MIMO systems
Authors: Wang Ye , Zhang Ran , Liu Xiaoming , Gan Lu , Feng Youhong
Published: May 2023

Due to the limitation of mobility and cost, it is inappropriate to utilize ground base station (GBS) to provide service in emergency scenarios or harsh environments. Unmanned aerial vehicle (UAV) is considered as a feasible way to solve the problem. Millimetre wave communication and UAV can be used together to offer wireless communications flexibly and rapidly for target area. However, fuselage jittering and energy supply would affect the quality and reliability of UAV communication seriously. To overcome the weakness of UAV, the authors prefer to use multiple UAVs to provide wireless communication service simultaneously. This paper investigates the design of hybrid beamforming in the scenarios including multiple UAVs and one end user. Cooperation strategy and alternating optimization method are applied in this design. The distributed UAV base stations are regarded as an entirety and the reference beamforming scheme obtained. Then, the beamforming problem for each UAV is formulated. Moreover, residual error minimization (REM) algorithm is proposed to find the solution of hybrid beamformers at UAV side. Finally, the beamformer of the receiver is optimized with the assist of effective channel, which includes the gain of both channel and beamformers of the transmitters. Simulation results show that the proposed algorithm can achieve near‐optimal spectral efficiency in different scenarios.