bluuebunny/crossref_metadata_2025 huggingface dataset:
Cardiac function in relation to functional status and fatigue in patients with post-COVID syndrome
Authors: Baum Paul , Do Lisa , Deterding Lea , Lier Julia , Kunis Ines , Saur Dorothee , Classen Joseph , Wirtz Hubert , Laufs Ulrich
Published: November 2022

Patients with Post-COVID syndrome (PCS) are frequently referred for cardiologic evaluation. We assessed cardiac function and biomarkers in relation to functional status and fatigue in patients with PCS. This prospective single-center cohort study included 227 patients with persisting symptoms after COVID-19 infection. Most frequent complaints were fatigue (70%), dyspnea (56%), neurocognitive symptoms (34%) and chest pain (28%). Standardized questionnaires were used to assess Post-COVID-Functional-Scale (PCFS) and fatigue (MFI-20). The fatigue severity was inversely related to age and did not correlate with cardiovascular diseases, echocardiographic findings, or biomarkers. Similarly, mild to moderate functional impairment (PCFS 1–3) did not correlate with cardiovascular alterations. However, the subgroup of patients with significant functional impairment (PCFS = 4) had more frequent cardiovascular comorbidities, biomarkers and impaired global longitudinal strain (GLS). Patients with elevated troponin T showed abnormal GLS, reduced left ventricular ejection fraction and impaired tricuspid annular plane systolic excursion. The majority of patients with PCS shows a normal cardiac function. Only the small subgroup of patients with severe functional impairment and patients with elevated troponin T is at risk for impaired cardiac function and likely to benefit from specialized care by a cardiologist.
Prognostic model for survival of patients with abdominal aortic aneurysms treated with endovascular aneurysm repair
Authors: Meuli Lorenz , Zimmermann Alexander , Menges Anna-Leonie , Stefanikova Sandra , Reutersberg Benedikt , Makaloski Vladimir
Published: November 2022

The role of endovascular aneurysm repair (EVAR) in patients with asymptomatic abdominal aortic aneurysm (AAA) who are unfit for open surgical repair has been questioned. The impending risk of aneurysm rupture, the risk of elective repair, and the life expectancy must be balanced when considering elective AAA repair. This retrospective observational cohort study included all consecutive patients treated with standard EVAR for AAA at a referral centre between 2001 and 2020. A previously published predictive model for survival after EVAR in patients treated between 2001 and 2012 was temporally validated using patients treated at the same institution between 2013 and 2020 and updated using the overall cohort. 558 patients (91.2% males, mean age 74.9 years) were included. Older age, lower eGFR, and COPD were independent predictors for impaired survival. A risk score showed good discrimination between four risk groups (Harrel’s C = 0.70). The 5-years survival probabilities were only 40% in “high-risk” patients, 68% in “moderate-to-high-risk” patients, 83% in “low-to-moderate-risk”, and 89% in “low-risk” patients. Low-risk patients with a favourable life expectancy are likely to benefit from EVAR, while high-risk patients with a short life expectancy may not benefit from EVAR at the current diameter threshold.
Microfluidic dose–response platform to track the dynamics of drug response in single mycobacterial cells
Authors: Mistretta Maxime , Gangneux Nicolas , Manina Giulia
Published: November 2022

Preclinical analysis of drug efficacy is critical for drug development. However, conventional bulk-cell assays statically assess the mean population behavior, lacking resolution on drug-escaping cells. Inaccurate estimation of efficacy can lead to overestimation of compounds, whose efficacy will not be confirmed in the clinic, or lead to rejection of valuable candidates. Time-lapse microfluidic microscopy is a powerful approach to characterize drugs at high spatiotemporal resolution, but hard to apply on a large scale. Here we report the development of a microfluidic platform based on a pneumatic operating principle, which is scalable and compatible with long-term live-cell imaging and with simultaneous analysis of different drug concentrations. We tested the platform with mycobacterial cells, including the tubercular pathogen, providing the first proof of concept of a single-cell dose–response assay. This dynamic in-vitro model will prove useful to probe the fate of drug-stressed cells, providing improved predictions of drug efficacy in the clinic.
Optimization of adult mosquito trap settings to monitor populations of Aedes and Culex mosquitoes, vectors of arboviruses in La Reunion
Authors: Claudel Iris , Brouazin Ronan , Lancelot Renaud , Gouagna Louis-Clément , Dupraz Marlène , Baldet Thierry , Bouyer Jérémy
Published: November 2022

Competent arbovirus vectors are found in the culicid mosquito fauna of south-west Indian Ocean (SWIO) islands. In La Reunion, Aedes albopictus and Aedes aegypti mosquitoes are known vectors of dengue and chikungunya viruses. Culex quinquefasciatus is a potential vector of Rift Valley fever and West Nile viruses. To prepare a vector-control field trial against Ae. aegypti, this study aimed at identifying the best trapping strategy to catch adult Ae. aegypti, using BG-Sentinel traps (Biogents, Germany). It was implemented in two sites in southern La Reunion. Catches of Ae. albopictus and Cx. quinquefasciatus mosquitoes were also recorded. A Latin square design was used to estimate the detection probability and the apparent daily density—according to the BG-Sentinel trapping strategy: none, carbon dioxide (CO2), a commercial attractant—BG-Lure (Biogents, Germany), or both. The use of CO2 alone was associated with a higher detection probability for Ae. aegypti and Cx. quinquefasciatus mosquitoes, as well as a large increase in their apparent density. Traps with BG-Lure—alone or in combination with CO2, did not improve the detection probability of Ae. aegypti and Cx. quinquefasciatus mosquitoes. The same result was found for male Ae. albopictus. For females, baiting BG-Sentinel traps with CO2 or BG-Lure had no significant effect. The same apparent densities were found for Ae. aegypti and Ae. albopictus mosquitoes in both study sites—where Ae. aegypti mosquitoes were found at very low densities during previous surveys.
3D scattering microphantom sample to assess quantitative accuracy in tomographic phase microscopy techniques
Authors: Krauze Wojciech , Kuś Arkadiusz , Ziemczonok Michał , Haimowitz Max , Chowdhury Shwetadwip , Kujawińska Małgorzata
Published: November 2022

In this paper we present a structurally-complex biomimetic scattering structure, fabricated with two-photon polymerization, and utilize this object in order to benchmark a computational imaging system. The phantom allows to tailor the scattering by modifying its degrees of freedom i.e. refractive index contrast and scattering layer dimensions and incorporates a 3D imaging quality test, representing a single cell within tissue. While the sample may be used with multiple 3D microscopy techniques, we demonstrate the impact of scattering on three tomographic phase microscopy (TPM) reconstruction methods. One of these methods assumes the sample to be weak-scattering, while the other two take multiple scattering into account. The study is performed at two wavelengths (visible and near-infrared), which serve as a scaling factor for the scattering phenomenon. We find that changing the wavelength from visible into near-infrared impacts the applicability of TPM reconstruction methods. As a result of reduced scattering in near-infrared region, the multiple-scattering-oriented techniques perform in fact worse than a method aimed for weak-scattering samples. This implies a necessity of selecting proper approach depending on sample’s scattering characteristics even in case of subtle changes in the object-light interaction.
Perceived urban environment attributes and obesity indices in adults: an 8-Nation study from Latin America
Authors: Ferrari Gerson , Alberico Claudia , Marques Adilson , Kovalskys Irina , Gómez Georgina , Rigotti Attilio , Cortés Lilia Yadira , García Martha Yépez , Pareja Rossina G. , Herrera-Cuenca Marianella , Drenowatz Clemens , Leme Ana Carolina B. , Cristi-Montero Carlos , da Costa Roberto Fernandes , Farías‑Valenzuela Claudio , Fisberg Mauro
Published: November 2022

This study examines the associations between perceived urban environment attributes and obesity indices by country using data from an eight-nation study from Latin America. The data were collected from 8185 adults. The Neighbourhood Environment Walkability-abbreviated scale was used to assess perceived urban environment attributes. Obesity indices considered were body mass index, waist circumference, neck circumference, a body shape index and waist-to-height ratio. The perception of a more and better land use mix-diversity (β − 0.44; 95% CI − 0.59, − 0.28), traffic safety (− 0.39; − 0.66, − 0.12), and safety from crime (− 0.36; − 0.57, − 0.15) was associated with lower body mass index across the entire sample. Land use mix-diversity (− 1.21; − 1.60, − 0.82), street connectivity (− 0.26; − 0.37, − 0.15), and traffic safety (− 0.79; − 1.47, − 0.12) were negatively associated with waist circumference. Land use mix-diversity (− 0.11; − 0.20, − 0.03), land use mix-access (− 0.23; − 0.34, 0.12), walking/cycling facilities (− 0.22; − 0.37, − 0.08), and safety from crime (− 0.27; − 0.42, − 0.12) were negatively associated with neck circumference. No associations between perceived urban environment attributes and a body shape index were found. Land use mix-diversity (− 0.01; − 0.02, − 0.01), aesthetics (− 0.02; − 0.03, − 0.01), and safety from crime (− 0.02; − 0.04, − 0.01) were associated with waist-to-height ratio. Environmental interventions involving urban environment attributes are associated with obesity indices and, therefore, may help decrease the prevalence of overweight and obesity.
Neuroticism and adverse life events are important determinants in functional somatic disorders: the DanFunD study
Authors: Weinreich Petersen Marie , Wisbech Carstensen Tina Birgitte , Frostholm Lisbeth , Bro Wellnitz Kaare , Ørnbøl Eva , Tandrup Lamm Thomas , Meinertz Dantoft Thomas , Falgaard Eplov Lene , Jørgensen Torben , Fink Per
Published: November 2022

Several psychological factors have been proposed to be associated with functional somatic disorders (FSD). However, large population-based studies investigating the importance of both personality and adverse life events (ALE) are sparse. This study aimed to investigate the association between FSD and neuroticism and the accumulated number of ALE, respectively. This cross-sectional study included a random sample of the adult Danish population (N = 7493). FSD were established by means of self-reported questionnaires and diagnostic interviews. Neuroticism was measured with the Danish version of the short-form NEO Personality Inventory. ALE were measured with the Danish version of the Cumulative Lifetime Adversity Measure. Strong positive associations were found between neuroticism and FSD, and ALE and questionnaire-based FSD. For interview-based FSD, strong positive associations were found for FSD, multi-organ type, and for the subtype of the general symptoms. The level of self-efficacy did not modify these associations, and no moderating effect of neuroticism and ALE in combination on the probability of having FSD was found. FSD were strongly associated with both neuroticism and the accumulated number of ALE, and these associations were not modified by self-efficacy. In combination, neuroticism and ALE did not have a moderating effect on the probability of having FSD.
17β-estradiol ameliorates delirium-like phenotypes in a murine model of urinary tract infection
Authors: Guidry Gena , Sparrow Nicklaus A. , Marshall Hyyat S. , De Souza Santos Roberta , Bharath Suman P. , Gezalian Michael M. , Pisarska Margareta D. , Vit Jean-Philippe , Kelly Scott A. , Karumanchi S. Ananth , Lahiri Shouri
Published: November 2022

Urinary tract infections (UTIs) are common and frequently precipitate delirium-like states. Advanced age coincident with the postmenopausal period is a risk factor for delirium following UTIs. We previously demonstrated a pathological role for interleukin-6 (IL-6) in mediating delirium-like phenotypes in a murine model of UTI. Estrogen has been implicated in reducing peripheral IL-6 expression, but it is unknown whether the increased susceptibility of postmenopausal females to developing delirium concomitant with UTIs reflects diminished effects of circulating estrogen. Here, we tested this hypothesis in a mouse model of UTI. Female C57BL/6J mice were oophorectomized, UTIs induced by transurethral inoculation of E. coli, and treated with 17β-estradiol. Delirium-like behaviors were evaluated prior to and following UTI and 17β-estradiol treatment. Compared to controls, mice treated with 17β-estradiol had less neuronal injury, improved delirium-like behaviors, and less plasma and frontal cortex IL-6. In vitro studies further showed that 17β-estradiol may also directly mediate neuronal protection, suggesting pleiotropic mechanisms of 17β-estradiol-mediated neuroprotection. In summary, we demonstrate a beneficial role for 17β-estradiol in ameliorating acute UTI-induced structural and functional delirium-like phenotypes. These findings provide pre-clinical justification for 17β-estradiol as a therapeutic target to ameliorate delirium following UTI.
Development and validation of deep learning ECG-based prediction of myocardial infarction in emergency department patients
Authors: Gustafsson Stefan , Gedon Daniel , Lampa Erik , Ribeiro Antônio H. , Holzmann Martin J. , Schön Thomas B. , Sundström Johan
Published: November 2022

Myocardial infarction diagnosis is a common challenge in the emergency department. In managed settings, deep learning-based models and especially convolutional deep models have shown promise in electrocardiogram (ECG) classification, but there is a lack of high-performing models for the diagnosis of myocardial infarction in real-world scenarios. We aimed to train and validate a deep learning model using ECGs to predict myocardial infarction in real-world emergency department patients. We studied emergency department patients in the Stockholm region between 2007 and 2016 that had an ECG obtained because of their presenting complaint. We developed a deep neural network based on convolutional layers similar to a residual network. Inputs to the model were ECG tracing, age, and sex; and outputs were the probabilities of three mutually exclusive classes: non-ST-elevation myocardial infarction (NSTEMI), ST-elevation myocardial infarction (STEMI), and control status, as registered in the SWEDEHEART and other registries. We used an ensemble of five models. Among 492,226 ECGs in 214,250 patients, 5,416 were recorded with an NSTEMI, 1,818 a STEMI, and 485,207 without a myocardial infarction. In a random test set, our model could discriminate STEMIs/NSTEMIs from controls with a C-statistic of 0.991/0.832 and had a Brier score of 0.001/0.008. The model obtained a similar performance in a temporally separated test set of the study sample, and achieved a C-statistic of 0.985 and a Brier score of 0.002 in discriminating STEMIs from controls in an external test set. We developed and validated a deep learning model with excellent performance in discriminating between control, STEMI, and NSTEMI on the presenting ECG of a real-world sample of the important population of all-comers to the emergency department. Hence, deep learning models for ECG decision support could be valuable in the emergency department.
Alteration in tyrosine phosphorylation of cardiac proteome and EGFR pathway contribute to hypertrophic cardiomyopathy
Authors: Xu Mingguo , Bermea Kevin C. , Ayati Marzieh , Kim Han Byeol , Yang Xiaomei , Medina Andres , Fu Zongming , Heravi Amir , Zhang Xinyu , Na Chan Hyun , Everett Allen D. , Gabrielson Kathleen , Foster D. Brian , Paolocci Nazareno , Murphy Anne M. , Ramirez-Correa Genaro A.
Published: November 2022

Alterations of serine/threonine phosphorylation of the cardiac proteome are a hallmark of heart failure. However, the contribution of tyrosine phosphorylation (pTyr) to the pathogenesis of cardiac hypertrophy remains unclear. We use global mapping to discover and quantify site-specific pTyr in two cardiac hypertrophic mouse models, i.e., cardiac overexpression of ErbB2 (TgErbB2) and α myosin heavy chain R403Q (R403Q-αMyHC Tg), compared to control hearts. From this, there are significant phosphoproteomic alterations in TgErbB2 mice in right ventricular cardiomyopathy, hypertrophic cardiomyopathy (HCM), and dilated cardiomyopathy (DCM) pathways. On the other hand, R403Q-αMyHC Tg mice indicated that the EGFR1 pathway is central for cardiac hypertrophy, along with angiopoietin, ErbB, growth hormone, and chemokine signaling pathways activation. Surprisingly, most myofilament proteins have downregulation of pTyr rather than upregulation. Kinase-substrate enrichment analysis (KSEA) shows a marked downregulation of MAPK pathway activity downstream of k-Ras in TgErbB2 mice and activation of EGFR, focal adhesion, PDGFR, and actin cytoskeleton pathways. In vivo ErbB2 inhibition by AG-825 decreases cardiomyocyte disarray. Serine/threonine and tyrosine phosphoproteome confirm the above-described pathways and the effectiveness of AG-825 Treatment. Thus, altered pTyr may play a regulatory role in cardiac hypertrophic models.
Extra-hematopoietic immunomodulatory role of the guanine-exchange factor DOCK2
Authors: Scharler Cornelia , Poupardin Rodolphe , Ebner-Peking Patricia , Wolf Martin , Schreck Christina , Brachtl Gabriele , Cronemberger Andrade Andre , Krisch Linda , Daheron Laurence , Schallmoser Katharina , Jürchott Karsten , Küchler Judit , Stachelscheid Harald , Volk Hans-Dieter , Oostendorp Robert A. J. , Strunk Dirk
Published: November 2022

Stromal cells interact with immune cells during initiation and resolution of immune responses, though the precise underlying mechanisms remain to be resolved. Lessons learned from stromal cell-based therapies indicate that environmental signals instruct their immunomodulatory action contributing to immune response control. Here, to the best of our knowledge, we show a novel function for the guanine-exchange factor DOCK2 in regulating immunosuppressive function in three human stromal cell models and by siRNA-mediated DOCK2 knockdown. To identify immune function-related stromal cell molecular signatures, we first reprogrammed mesenchymal stem/progenitor cells (MSPCs) into induced pluripotent stem cells (iPSCs) before differentiating these iPSCs in a back-loop into MSPCs. The iPSCs and immature iPS-MSPCs lacked immunosuppressive potential. Successive maturation facilitated immunomodulation, while maintaining clonogenicity, comparable to their parental MSPCs. Sequential transcriptomics and methylomics displayed time-dependent immune-related gene expression trajectories, including DOCK2, eventually resembling parental MSPCs. Severe combined immunodeficiency (SCID) patient-derived fibroblasts harboring bi-allelic DOCK2 mutations showed significantly reduced immunomodulatory capacity compared to non-mutated fibroblasts. Conditional DOCK2 siRNA knockdown in iPS-MSPCs and fibroblasts also immediately reduced immunomodulatory capacity. Conclusively, CRISPR/Cas9-mediated DOCK2 knockout in iPS-MSPCs also resulted in significantly reduced immunomodulation, reduced CDC42 Rho family GTPase activation and blunted filopodia formation. These data identify G protein signaling as key element devising stromal cell immunomodulation.
The protein conformational basis of isoflavone biosynthesis
Authors: Wang Xiaoqiang , Pan Haiyun , Sagurthi Someswar , Paris Vincent , Zhuo Chunliu , Dixon Richard A.
Published: November 2022

Isoflavonoids play important roles in plant defense and also exhibit a range of mammalian health-promoting activities. Their biosynthesis is initiated by two enzymes with unusual catalytic activities; 2-hydroxyisoflavanone synthase (2-HIS), a membrane-bound cytochrome P450 catalyzing a coupled aryl-ring migration and hydroxylation, and 2-hydroxyisoflavanone dehydratase (2-HID), a member of a large carboxylesterase family that paradoxically catalyzes dehydration of 2-hydroxyisoflavanones to isoflavone. Here we report the crystal structures of 2-HIS from Medicago truncatula and 2-HID from Pueraria lobata. The 2-HIS structure reveals a unique cytochrome P450 conformation and heme and substrate binding mode that facilitate the coupled aryl-ring migration and hydroxylation reactions. The 2-HID structure reveals the active site architecture and putative catalytic residues for the dual dehydratase and carboxylesterase activities. Mutagenesis studies revealed key residues involved in substrate binding and specificity. Understanding the structural basis of isoflavone biosynthesis will facilitate the engineering of new bioactive isoflavonoids.
Human social conditions predict the risk of exposure to zoonotic parasites in companion animals in East and Southeast Asia
Authors: Colella Vito , Wongnak Phrutsamon , Tsai Yi-Lun , Nguyen Viet-Linh , Tan D. Y. , Tong Kenneth B. Y. , Lu Na , Fang Fang , Zhijuan Yin , Wang Jiangwei , Liu Xin , Dong Junyan , Nurcahyo Wisnu , Hadi Upik K. , Venturina Virginia , Taweethavonsawat Piyanan , Tiwananthagorn Saruda , Le Thong Q. , Bui Khanh L. , Watanabe Malaika , Rani Puteri A. M. A. , Traub Rebecca J. , Beugnet Frédéric , Chalvet-Monfray Karine , Halos Lénaïg
Published: November 2022

Background

A recent dramatic surge in pet ownership has been observed across metropolitan areas in Asia. To date, there is a dearth of information on the risk associated with pet ownership for the transmission of parasites on a large scale in Asia, despite this continent giving rise to the largest burden of zoonotic infections worldwide.

Methods

We explored the nature and extent of zoonotic internal (endo-) and external (ecto-) parasites and arthropod-borne pathogens in 2381 client-owned dogs and cats living in metropolitan areas of eight countries in East and Southeast Asia using reliable diagnostic tests and then undertook extensive statistical analyses to define predictors of exposure to zoonotic pathogens.

Results

The estimated ORs for overall parasite infections are 1.35 [95% CIs 1.07;1.71] in young animals and 4.10 [1.50;11.2] in the animal group older than 15 years as compared with adult animals, 0.61 [0.48;0.77] in neutered animals as compared to unneutered animals, 0.36 [0.26;0.50] in animals living in urban areas as compared with rural areas, 1.14 [1.08;1.21] for each 1 °C increase of annual mean temperature which varies from 12.0 to 28.0 °C, and 0.86 [0.78;0.95] for each year of life expectancy which varies from 70.9 to 83.3 years.

Conclusions

Here we highlight the influence of human life expectancy and the neutering status of the animals, which reflect increased living standards through access to education and human and veterinary health care, to be both strongly associated with exposure to zoonotic parasites. An integrated approach of local and international authorities to implement and manage educational programs will be crucial for the control of zoonotic infections of companion animals in Asia.
Comment on “Zinc/selenium conversion battery: a system highly compatible with both organic and aqueous electrolytes” by Z. Chen, F. Mo, T. Wang, Q. Yang, Z. Huang, D. Wang, G. Liang, A. Chen, Q. Li, Y. Guo, X. Li, J. Fan and C. Zhi, Energy Environ. Sci., 2021, 14, 2441
Authors: Zhang Jerry , Wang Chao , Leothand Alexander J.
Published: November 2022

The discharge capacity between 0.7 and 1.5 V is due to the conversion of Se4+ to Se(0).
Recent advances in responsive antibacterial materials: design and application scenarios
Authors: Zhang Bo , Lu Derong , Duan Hongwei
Published: November 2022

Recent development in stimuli-responsive antibacterial materials is reviewed with particular focus on smart systems that can be tailored by intrinsic and external stimuli for selective and localized activation and treatment of specific diseases.
Identification and characterisation of G-quadruplex DNA-forming sequences in the Pseudomonas aeruginosa genome
Authors: Evans Lindsay , Kotar Anita , Valentini Martina , Filloux Alain , Jamshidi Shirin , Plavec Janez , Rahman Khondaker Miraz , Vilar Ramon
Published: November 2022

We report identification and characterisation of G-quadruplex DNA forming sequences in the Pseudomonas aeruginosa genome in genes associated with antimicrobial resistance.
VO2·0.26H2O nanobelts@reduced graphene oxides as cathode materials for high-performance aqueous zinc ion batteries
Authors: Xie Ling , Xiao Wenhai , Shi Xiaoyan , Hong Junzhi , Cai Junjie , Zhang Kaili , Shao Lianyi , Sun Zhipeng
Published: November 2022

A simple microwave-assisted hydrothermal approach is adopted to synthesize VO2·0.26H2O nanobelts@reduced graphene oxide (VO2·0.26H2O@rGO), which is regarded as a promising cathode material for ZIBs.
Gallate-MOF derived CoS2/C composites as an accelerated catalyst for room-temperature sodium–sulfur batteries
Authors: Ma Qiuyang , Ai Jing , Zou Haoda , He Hengli , Li Zhongyuan , Mujtaba Jawayria , Fang Zhen
Published: November 2022

The fabricated microprism S@CoS2/C cathode contributes to enhanced adsorption and catalytic conversion of sodium polysulfides, resulting in enhanced electrochemical energy storage.
Cinnamaldehyde hydrogenation over carbon supported molybdenum and tungsten carbide catalysts
Authors: Führer Marlene , van Haasterecht Tomas , Bitter Johannes Hendrik
Published: November 2022

The potential of molybdenum and tungsten carbides supported on carbon-nanofibers to replace Pt is shown for the hydrogenation of cinnamaldehyde.
Efficient hydrogen isotopic analysis with Cu–Fe/ZSM-5 zeolite as a cryogenic chromatographic stationary phase
Authors: Zhang Jingjing , Rong Huazhen , Feng Xingwen , Li Peilong , Guan Yixing , An Yongtao , Zou Xiaoqin
Published: November 2022

A bimetal-functionalized zeolite of Cu–Fe/ZSM-5 is synthesized as the stationary phase material for an efficient chromatographic analysis of hydrogen gas isotopes.
Improvement of the fluorescent sensing biomarker 3-nitrotyrosine for a new luminescent coordination polymer by size regulation
Authors: Geng Jun , Lin Hongyan , Li Xiaohui , Lu Junjun , Wang XiuLi
Published: November 2022

A new 3D luminescent coordination polymer (LCP) 1 was synthesized for detecting biomarker 3-nitrotyrosine. By adjusting the reaction conditions, Nano-LCP 1 was synthesized, which has a more lower detection limit compared with LCP 1.
Measuring mutual diffusion coefficients in aqueous binary mixtures with unidimensional drying cells
Authors: Roger Kevin , Atasi Omer , Lalanne Benjamin
Published: November 2022

Unidirectional drying of a mixture leads to the build-up of a concentration gradient in the vicinity of the air/liquid interface, which can be transformed analytically into an expression of the concentration-dependent mutual diffusion coefficient.
Perspectives on weak interactions in complex materials at different length scales
Authors: Fiedler J. , Berland K. , Borchert J. W. , Corkery R. W. , Eisfeld A. , Gelbwaser-Klimovsky D. , Greve M. M. , Holst B. , Jacobs K. , Krüger M. , Parsons D. F. , Persson C. , Presselt M. , Reisinger T. , Scheel S. , Stienkemeier F. , Tømterud M. , Walter M. , Weitz R. T. , Zalieckas J.
Published: November 2022

Weak interactions are essential in modern research and technologies, such as nanocomposite materials, nanometer-sized quantum objects embedded in a host material or van der Waals heterostructures. Various fields address their characterisations and descriptions.
Catalytic activity of 1D chains of gold oxide on a stepped gold surface from density functional theory
Authors: Li Shikun , Olaniyan Okikiola , Carroll Lenard L. , Bäumer Marcus , Moskaleva Lyudmila V.
Published: November 2022

The formation of a 1D surface gold oxide along the step edge of the Au(221) surface may enhance the reactivity of low-temperature CO oxidation.
Decoration of defective graphene with MoS2enabling enhanced anchoring and catalytic conversion of polysulfides for lithium–sulfur batteries: a first-principles study
Authors: Li Yanan , Pan Yuanyuan , Cong Yao , Zhu Yifan , Liu Haosong , Wan Yi , Yao Yazhen , Ding Peibin , Wu Mingbo , Hu Han
Published: November 2022

The potential of carbon materials for electrochemical processes in Li–S batteries could be largely activated by the delicate regulation of their intrinsic defects, and this prospect could be further enhanced after hybridizing with MoS2.
Determination of the highest occupied molecular orbital and conformational structures of morpholine based on its conformer-specific photoionization dynamics
Authors: Eom So Young , Lee Yu Ran , Park Sung Man , Kwon Chan Ho
Published: November 2022

Morpholine, a heterocycle composed of an ether and amine, is commonly used as a precursor in many organic synthesis processes because of the nucleophilicity induced by the lone-pair electrons of the nitrogen atom within its ring.
Facile CO bond cleavage on polynuclear vanadium nitride clusters V4N5−
Authors: Wang Si-Dun , Chen Jiao-Jiao , Liu Yun-Zhu , Ma Tong-Mei , Li Xiao-Na , He Sheng-Gui
Published: November 2022

Identifying the structural configurations of precursors for CO dissociation is fundamentally interesting and industrially important in the fields of, e.g., Fischer–Tropsch synthesis.
Characterizing the ligand-binding affinity toward SARS-CoV-2 Mproviaphysics- and knowledge-based approaches
Authors: Ngo Son Tung , Nguyen Trung Hai , Tung Nguyen Thanh , Vu Van V. , Pham Minh Quan , Mai Binh Khanh
Published: November 2022

Computational approaches, including physics- and knowledge-based methods, have commonly been used to determine the ligand-binding affinity toward SARS-CoV-2 main protease (Mpro or 3CLpro).
The effect of vacancy defects on the electromechanical properties of monolayer NiTe2 from first principles calculations
Authors: Yeoh K. H. , Chew K.-H. , Chang Y. H. R. , Yoon T. L. , Ong D. S.
Published: November 2022

Electromechanical properties of monolayer 1T-NiTe2 under charge actuation can be modulated by vacancy defects.
Development of a unique Niδ+ (0 < δ < 2) in NiMoP/Al2O3 catalyst for dry reforming of methane
Authors: Zhu Yuwei , Ding Wei , Yao Zhiwei
Published: November 2022

Choosing an appropriate reaction temperature that can simultaneously remove surface oxygen and carbon species is important for maintaining the oxidation–reduction cycle of phosphides in CH4–CO2 reforming.
Efficient synthetic route to heterobimetallic trinuclear complexes [Ln–Mn–Ln] and their single molecule magnetic properties
Authors: Ghazali Nurul F. , Vignesh Kuduva R. , Phonsri Wasinee , Murray Keith S. , Junk Peter C. , Deacon Glen B. , Turner David R.
Published: November 2022

Mononuclear lanthanoidate complexes [Bu4N][Ln(QCl4)] have been used as precursors to obtain new heterobimetallic complexes [Ln2Mn(QCl)8]. The change from mononuclear to trinuclear complexes enhances their single molecule magnetic (SMM) behaviour.
Hydrazone- and imine-containing [PdPtL4]4+ cages: a comparative study of the stability and host–guest chemistry
Authors: Lisboa Lynn S. , Riisom Mie , Dunne Henry J. , Preston Dan , Jamieson Stephen M. F. , Wright L. James , Hartinger Christian G. , Crowley James D.
Published: November 2022

A new [PdPtL4]4+ heterobimetallic cage containing hydrazone linkages has been synthesised using the sub-component self-assembly approach.
Symmetric CEST-active lanthanide complexes for redox monitoring
Authors: Mouchel dit Leguerrier Damien , Barré Richard , Ruet Quentin , Frachet Véronique , Imbert Daniel , Thomas Fabrice , Molloy Jennifer K.
Published: November 2022

Two symmetric ligands harbouring two TEMPO radicals and two functionalized acetamide arms (R = OMe (L1), CF3(L2)) were prepared and chelated to lanthanide ions (EuIII, YbIIIfor both L1 and L2, DyIIIfor L1).
The rates of Cu(ii)–ATCUN complex formation. Why so slow?
Authors: Kotuniak Radosław , Szczerba Paulina , Sudzik Dobromiła , Strampraad Marc J. F. , Hagedoorn Peter-Leon , Bal Wojciech
Published: November 2022

Lifetimes of kinetic intermediates of Cu(ii) complexes with GGH analogues revealed rules for rate modulation for ATCUN biological copper transporters.
Hydrophilic polypyrrole and g-C3N4 co-decorated ZnO nanorod arrays for stable and efficient photoelectrochemical water splitting
Authors: Xie Xiaoyu , Wang Ru , Chen Jinping , Ma Yi , Li Zhiyong , Cui Qiannan , Shi Zengliang , Xu Chunxiang
Published: November 2022

Hydrophilic polypyrrole and g-C3N4 co-decorated ZnO nanorod arrays were synthesized for stable and efficient photoelectrochemical water splitting.
Tailoring a bio-based adsorbent for sequestration of late transition and rare earth elements
Authors: Breijaert Troy C. , Budnyak Tetyana M. , Kessler Vadim K. , Seisenbaeva Gulaim A.
Published: November 2022

A bio-based adsorbent material with enhanced selectivity towards late transition metals was constructedviagrafting a poly-amino ligand on a nano cellulose matrix.
Control of spin coupling through a redox-active bridge in a dinickel(ii) porphyrin dimer: step-wise oxidations enable isolations of a chlorin–porphyrin heterodimer and a dication diradical with a singlet ground state
Authors: Pandit Younis Ahmad , Usman Mohammad , Sarkar Anindya , Shah Syed Jehanger , Rath Sankar Prasad
Published: November 2022

Controlled oxidations of a dinickel(ii) porphyrin dimer resulted in the isolations of two different products, as shown.
Correction: Synthesis and evaluation of photocatalytic and photoluminescent properties of Zn2+-doped Bi2WO6
Authors: Lovisa L. X. , Nunes T. B. O. , Wilson R. R. Y. O. V. , Longo E. , Teodoro M. D. , Bomio M. R. D. , Motta F. V.
Published: November 2022

Correction for ‘Synthesis and evaluation of photocatalytic and photoluminescent properties of Zn2+-doped Bi2WO6’ by L. X. Lovisa, et al., Dalton Trans., 2022, https://doi.org/10.1039/d2dt03175b.
Phosphorus recovery by re-dissolution from activated sludge – effects of carbon source and supplementation level revisited
Authors: Anders Annika , Weigand Harald , Platen Harald
Published: November 2022

Acetate most efficiently induced fast biological phosphorus re-dissolution from activated sludge of a full-scale WWTP, which contributes to the development and implementation of environmentally friendly phosphorus recovery strategies.
Pre-analytical aspects in metabolomics of human biofluids – sample collection, handling, transport, and storage
Authors: Garwolińska Dorota , Kot-Wasik Agata , Hewelt-Belka Weronika
Published: November 2022

We provide key information regarding the pre-analytical variables affecting the metabolomics studies of biological fluids.
Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate
Authors: Yan Han , Che Zi-Wei , Sun Wen-Bin
Published: November 2022

A series of lanthanide-based multifunctional materials with SMM, luminescence and MCE properties were constructed by deliberately selecting β-diketonate and phosphine oxide ligands combined with lanthanide ions.
Palladium incorporated MIL-101(Cr): a heterogeneous and reusable catalyst for the C–H functionalization of unactivated arenes
Authors: Sarkar Fillip Kumar , Gajurel Sushmita , Kyndiah Lenida , Sarkar Rajib , Devan Rupesh S. , Pal Amarta Kumar
Published: November 2022

Palladium incorporated MIL-101(Cr) as an efficient heterogeneous catalyst has been developed for the C–H functionalization of unactivated arenes.
Surface double modification and photocatalytic performance of graphite carbon nitride
Authors: Luo Jing , Liu Yanxiu , Li Jinqi , Song Hua
Published: November 2022

Grafting of the surface hydroxyl group with a coupling agent enhanced the visible light catalytic activity of graphite carbon nitride.
Syntheses of ferrocene-functionalized indium-based metal–organic frameworks for third order nonlinear optical application
Authors: Zhang Rong , Wang Bing , Wang Fei , Chen Shu-Mei , Zhang Jian
Published: November 2022

Presented here are a series of ferrocene-functionalized indium-based metal–organic frameworks (In-MOFs) with good third order nonlinear optical properties and redox activity.
Enhancement of the triiodide reduction reaction by doping molybdenum in NiSe hierarchical microspheres: a theoretical and experimental study
Authors: Lv Chunmei , Zhang Tao , Wang Xiuwen , Pan Hong , Xie Zhiyu , Lu Hong , Pan Kai , Xie Ying
Published: November 2022

A theoretical and experimental study on the catalytic activity for the IRR of Mo–NiSe was carried out to guide the design of cost-effective catalysts in the field of energy conversion.
Quantitative detection of corrosion minerals in carbon steel using shortwave infrared hyperspectral imaging
Authors: De Kerf Thomas , Gestels Arthur , Janssens Koen , Scheunders Paul , Steenackers Gunther , Vanlanduit Steve
Published: November 2022

This study presents a novel method for the detection and quantification of atmospheric corrosion products on carbon steel.
Installation of electrophiles onto the C-terminus of recombinant ubiquitin and ubiquitin-like proteins
Authors: Farnung Jakob , Tolmachova Kateryna A. , Bode Jeffrey W.
Published: November 2022

Preparation of acyl-hydrazide derived activity-based probes for ubiquitin-like proteins that show high reactivity and selectivity for deubiquitylases and E2 enzymes.
Detecting low-brominated diphenyl ethers by highly sensitive biosensors based on the blocking effect on glucose oxidase
Authors: Jiang Xuerui , Bai Xiaoyun , Liu Xiaohui , Wang Xuemei , Shiu Kwok-Keung
Published: November 2022

A novel GOD∼/AuNPs#rGO-CHIT/GC electrode was fabricated to realize the direct electron transfer of glucose oxidase (GOD) for rapid, highly sensitive and cost-effective determination of BDE-15 based on the blocking effect.
Use of hemicellulose-derived xylose for environmentally sustainable starch production by mixotrophic duckweed
Authors: Sun Zuoliang , Zhao Xuyao , Xia Manli , Yang Jingjing , Chen Yan , Li Xiaozhe , Hou Hongwei
Published: November 2022

Schematic diagrams of xylose-enriched wastewater treatments and value-added product production by mixotrophic duckweed.
Salt engineering toward stable cation migration of Na metal anodes
Authors: Ji Yingying , Sun Hengchao , Li Zhibin , Ma Liang , Zhang Wanggang , Liu Yiming , Pan Likun , Mai Wenjie , Li Jinliang
Published: November 2022

KFSI salt as an additive in electrolyte can enable highly reversible and nondendritic plating–stripping of Na metal anodes.
An internal electric field and interfacial S–C bonds jointly accelerate S-scheme charge transfer achieving efficient sunlight-driven photocatalysis
Authors: Sun Linlin , Liu Xiaoshuo , Jiang Xiaohan , Feng Yibing , Ding Xunlei , Jiang Nan , Wang Jigang
Published: November 2022

An interfacial electric field and S–C bonds as well as their effects benefiting the regulation of the efficiency of electrons transfer for efficient photocatalytic reactions are deeply investigated and comprehended.
Mn2+-doped Cs2ZnBr4 scintillator for X-ray imaging
Authors: Su Binbin , Han Kai , Xia Zhiguo
Published: November 2022

Cs2ZnBr4:Mn2+ and its composite film demonstrate good X-ray scintillation performances with a spatial resolution of 5.06 lp mm−1 in X-ray imaging.
CEACAM5 inhibits the lymphatic metastasis of head and neck squamous cell carcinoma by regulating epithelial–mesenchymal transition via inhibiting MDM2
Authors: Wang Xudong , Li Yanshi , Pan Min , Lu Tao , Wang Min , Wang Zhihai , Liu Chuan , Hu Guohua
Published: November 2022

Lymph node (LN) metastasis affects both the management and prognosis of head and neck squamous cell carcinoma (HNSCC). Here, we explored the relationship between lymphatic metastasis and CEA family member 5 (CEACAM5), including its possible regulatory role in HNSCC. The levels of CEACAM5 in tissues from patients with HNSCC, with and without LN metastases, were assessed by transcriptome sequencing. The associations between CEACAM5 and the N stage of LN metastasis in HNSCC were predicted through The Cancer Genome Atlas (TCGA) and Gene Expression Omnibus (GEO) databases and a pan-cancer analysis of CEACAM5 expression in 33 common human tumors was conducted. CEACAM5 levels were analyzed in tumor and normal tissue specimens from HNSCC patients and the correlation between CEACAM5 levels and prognosis was evaluated. The influence of CEACAM5 on cell proliferation, invasion, migration, and apoptosis was investigated in HNSCC cell lines, as were the downstream regulatory mechanisms. A mouse model of LN metastasis was constructed. CEACAM5 levels were significantly higher in HNSCC tissue without LN metastasis than in that with LN metastasis. Similar findings were obtained for the clinical specimens. CEACAM5 levels were associated with better clinical prognosis. CEACAM5 was found to inhibit the proliferation and migration and promote the apoptosis of HNSCC cells. A mouse xenograft model showed that CEACAM5 inhibited LN metastasis. In conclusions, CEACAM5 inhibited epithelial–mesenchymal transition (EMT) in HNSCC by reducing murine double minute 2 (MDM2) expression and thereby suppressing LN metastasis. CEACAM5 has potential as both a prognostic marker and a therapeutic target in HNSCC.
Simulating an End-of-Life Care Conference Using Standardized Patients: Examining Students' Professional Communication
Authors: Stead Amanda , Vinson Monica , Michael Paul , Henry Sara , Fryer Melissa , Fitzgerald Caitlin , Dow Frankie
Published: November 2022

Purpose:

Lack of preparation for working with patients near the end of life (EoL) can lead to poor outcomes for patients and burnout for clinicians. Additionally, graduate students must also receive preparation in professional communication skills necessary for family and interprofessional interactions. Simulation provides an opportunity to practice and demonstrate these skills in a safe environment. This study examined student performance and perceptions following a simulation of clinical communication in the context of an EoL care (EoLC) conference discussion.

Method:

By utilizing a formative simulation with standardized patients, students demonstrated skills associated with navigating an EoLC conference discussion. The supervising educators and standardized patients evaluated students on their clinical communication and debriefing skills through rubrics. Students also provided feedback on the simulation experience.

Results:

Results from this simulation indicated that most students demonstrated effective clinical communication skills. Judgments from educators and standardized patients corroborate students' skill demonstration in the areas of content delivery, delivering compassionate care, communicating evidence, representing their roles, and reflection. Students struggled more in the areas of terminology use and using summary and validation skills. Student feedback about the simulation was resoundingly positive. Students remarked how the simulation advanced their learning, helped them reflect on their clinical communication skills, and provided them with exposure to fragile medical patients.

Conclusion:

This study provides an example of a high-fidelity replicable simulation that can be implemented to measure and encourage student skill development in clinical communication and EoLC.
The Mantis network
Authors: Kitzmann D. , Hoeijmakers H. J. , Grimm S. L. , Borsato N. W. , Lueber A. , Prinoth B.
Published: November 2022

The atmospheres of ultra-hot Jupiters are highly interesting and unique chemical laboratories. Due to the very high atmospheric temperatures, their chemical composition is dominated by atoms and ions instead of molecules, and the formation of aerosols on their day-sides is unlikely. Thus, for these planets detailed chemical characterisations via the direct detection of elements through high-resolution day-side and transit spectroscopy are possible. This in principle allows the element abundances of these objects to be directly inferred, which may provide crucial constraints on their formation process and evolution history. In the recent past, several chemical species, mostly in the form of atoms and ions, have already been detected using high-resolution spectroscopy in combination with the cross-correlation technique. As part of the Mantis network, we provide a grid of standard templates in this study, designed to be used together with the cross-correlation method. This allows for the straightforward detection of chemical species in the atmospheres of hot extrasolar planets. In total, we calculate high-resolution templates for more than 140 different species across several atmospheric temperatures. In addition to the high-resolution templates, we also provide line masks that just include the position of line peaks and their absorption depths relative to the spectral continuum. A separate version of these line masks also takes potential blending effects with lines of other species into account.
KOBEsim: A Bayesian observing strategy algorithm for planet detection in radial velocity blind-search surveys
Authors: Balsalobre-Ruza O. , Lillo-Box J. , Berihuete A. , Silva A. M. , Santos N. C. , Castro-González A. , Faria J. P. , Huélamo N. , Barrado D. , Demangeon O. D. S. , Marfil E. , Aceituno J. , Adibekyan V. , Azzaro M. , Barros S. C. C. , Bergond G. , Galadí-Enríquez D. , Pedraz S. , Santerne A.
Published: November 2022

Context. Ground-based observing time is precious in the era of exoplanet follow-up and characterization, especially in high-precision radial velocity instruments. Blind-search radial velocity surveys thus require a dedicated observational strategy in order to optimize the observing time, which is particularly crucial for the detection of small rocky worlds at large orbital periods.

Aims. We developed an algorithm with the purpose of improving the efficiency of radial velocity observations in the context of exoplanet searches, and we applied it to the K-dwarfs Orbited By habitable Exoplanets experiment. Our aim is to accelerate exoplanet confirmations or, alternatively, reject false signals as early as possible in order to save telescope time and increase the efficiency of both blind-search surveys and follow-up of transiting candidates.

Methods. Once a minimum initial number of radial velocity datapoints is reached in such a way that a periodicity starts to emerge according to generalized Lomb-Scargle periodograms, that period is targeted with the proposed algorithm, named KOBEsim. The algorithm selects the next observing date that maximizes the Bayesian evidence for this periodicity in comparison with a model with no Keplerian orbits.

Results. By means of simulated data, we proved that the algorithm accelerates the exoplanet detection, needing 29-33% fewer observations and a 41–47% smaller time span of the full dataset for low-mass planets (mp < 10 M⊕) in comparison with a conventional monotonic cadence strategy. For 20 M⊕ planets we found a 16% enhancement in the number of datapoints. We also tested KOBEsim with real data for a particular KOBE target and for the confirmed planet HD 102365 b. These two tests demonstrate that the strategy is capable of speeding up the detection by up to a factor of 2 (i.e., reducing both the time span and number of observations by half).