bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantifying the feeding behavior and trophic impact of a widespread oceanic ctenophore
Authors: Potter Betsy , Corrales-Ugalde Marco , Townsend James P. , Colin Sean P. , Sutherland Kelly R. , Costello John H. , Collins Richard , Gemmell Brad J.
Published: February 2023

Oceanic ctenophores are widespread predators on pelagic zooplankton. While data on coastal ctenophores often show strong top-down predatory impacts in their ecosystems, differing morphologies, prey capture mechanisms and behaviors of oceanic species preclude the use of coastal data to draw conclusion on oceanic species. We used high-resolution imaging methods both in situ and in the laboratory to quantify interactions of Ocyropsis spp. with natural copepod prey. We confirmed that Ocyropsis spp. uses muscular lobe contraction and a prehensile mouth to capture prey, which is unique amongst ctenophores. This feeding mechanism results in high overall capture success whether encountering single or multiple prey between the lobes (71 and 81% respectively). However, multiple prey require several attempts for successful capture whereas single prey are often captured on the first attempt. Digestion of adult copepods takes 44 min at 25 °C and does not vary with ctenophore size. At high natural densities, we estimate that Ocyropsis spp. consume up to 40% of the daily copepod standing stock. This suggests that, when numerous, Ocyropsis spp. can exert strong top-down control on oceanic copepod populations. At more common densities, these animals consume only a small proportion of the daily copepod standing stock. However, compared to data from pelagic fishes and oceanic medusae, Ocyropsis spp. appears to be the dominant copepod predator in this habitat.
Biventricular shape modes discriminate pulmonary valve replacement in tetralogy of Fallot better than imaging indices
Authors: Govil Sachin , Mauger Charlène , Hegde Sanjeet , Occleshaw Christopher J. , Yu Xiaoyang , Perry James C. , Young Alistair A. , Omens Jeffrey H. , McCulloch Andrew D.
Published: February 2023

Current indications for pulmonary valve replacement (PVR) in repaired tetralogy of Fallot (rTOF) rely on cardiovascular magnetic resonance (CMR) image-based indices but are inconsistently applied, lead to mixed outcomes, and remain debated. This study aimed to test the hypothesis that specific markers of biventricular shape may discriminate differences between rTOF patients who did and did not require subsequent PVR better than standard imaging indices. In this cross-sectional retrospective study, biventricular shape models were customized to CMR images from 84 rTOF patients. A statistical atlas of end-diastolic shape was constructed using principal component analysis. Multivariate regression was used to quantify shape mode and imaging index associations with subsequent intervention status (PVR, n = 48 vs. No-PVR, n = 36), while accounting for confounders. Clustering analysis was used to test the ability of the most significant shape modes and imaging indices to discriminate PVR status as evaluated by a Matthews correlation coefficient (MCC). Geometric strain analysis was also conducted to assess shape mode associations with systolic function. PVR status correlated significantly with shape modes associated with right ventricular (RV) apical dilation and left ventricular (LV) dilation (p < 0.01), RV basal bulging and LV conicity (p < 0.05), and pulmonary valve dilation (p < 0.01). PVR status also correlated significantly with RV ejection fraction (p < 0.05) and correlated marginally with LV end-systolic volume index (p < 0.07). Shape modes discriminated subsequent PVR better than standard imaging indices (MCC = 0.49 and MCC = 0.28, respectively) and were significantly associated with RV and LV radial systolic strain. Biventricular shape modes discriminated differences between patients who did and did not require subsequent PVR better than standard imaging indices in current use. These regional features of cardiac morphology may provide insight into adaptive vs. maladaptive types of structural remodeling and point toward an improved quantitative, patient-specific assessment tool for clinical use.
Dressed jeff-1/2 objects in mixed-valence lacunar spinel molybdates
Authors: Petersen Thorben , Prodan Lilian , Geirhos Korbinian , Nakamura Hiroyuki , Kézsmárki István , Hozoi Liviu
Published: February 2023

The lacunar-spinel chalcogenides exhibit magnetic centers in the form of transition-metal tetrahedra. On the basis of density-functional computations, the electronic ground state of an Mo413+ tetrahedron has been postulated as single-configuration a12 e4 t25, where a1, e, and t2 are symmetry-adapted linear combinations of single-site Mo t2g atomic orbitals. Here we unveil the many-body tetramer wave-function: we show that sizable correlations yield a weight of only 62% for the a12 e4 t25 configuration. While spin–orbit coupling within the peculiar valence orbital manifold is still effective, the expectation value of the spin–orbit operator and the g factors deviate from figures describing nominal t5jeff = 1/2 moments. As such, our data documents the dressing of a spin–orbit jeff = 1/2 object with intra-tetramer excitations. Our results on the internal degrees of freedom of these magnetic moments provide a solid theoretical starting point in addressing the intriguing phase transitions observed at low temperatures in these materials.
Reduced glucosinolate content in oilseed rape (Brassica napus L.) by random mutagenesis of BnMYB28 and BnCYP79F1 genes
Authors: Jhingan Srijan , Harloff Hans-Joachim , Abbadi Amine , Welsch Claudia , Blümel Martina , Tasdemir Deniz , Jung Christian
Published: February 2023

The presence of anti-nutritive compounds like glucosinolates (GSLs) in the rapeseed meal severely restricts its utilization as animal feed. Therefore, reducing the GSL content to < 18 µmol/g dry weight in the seeds is a major breeding target. While candidate genes involved in the biosynthesis of GSLs have been described in rapeseed, comprehensive functional analyses are missing. By knocking out the aliphatic GSL biosynthesis genes BnMYB28 and BnCYP79F1 encoding an R2R3 MYB transcription factor and a cytochrome P450 enzyme, respectively, we aimed to reduce the seed GSL content in rapeseed. After expression analyses on single paralogs, we used an ethyl methanesulfonate (EMS) treated population of the inbred winter rapeseed ‘Express617’ to detect functional mutations in the two gene families. Our results provide the first functional analysis by knock-out for the two GSL biosynthesis genes in winter rapeseed. We demonstrate that independent knock-out mutants of the two genes possessed significantly reduced seed aliphatic GSLs, primarily progoitrin. Compared to the wildtype Express617 control plants (36.3 µmol/g DW), progoitrin levels were decreased by 55.3% and 32.4% in functional mutants of BnMYB28 (16.20 µmol/g DW) and BnCYP79F1 (24.5 µmol/g DW), respectively. Our study provides a strong basis for breeding rapeseed with improved meal quality in the future.
A deconvolution approach to modelling surges in COVID-19 cases and deaths
Authors: Melnyk Adam , Kozarov Lena , Wachsmann-Hogiu Sebastian
Published: February 2023

The COVID-19 pandemic continues to emphasize the importance of epidemiological modelling in guiding timely and systematic responses to public health threats. Nonetheless, the predictive qualities of these models remain limited by their underlying assumptions of the factors and determinants shaping national and regional disease landscapes. Here, we introduce epidemiological feature detection, a novel latent variable mixture modelling approach to extracting and parameterizing distinct and localized features of real-world trends in daily COVID-19 cases and deaths. In this approach, we combine methods of peak deconvolution that are commonly used in spectroscopy with the susceptible-infected-recovered-deceased model of disease transmission. We analyze the second wave of the COVID-19 pandemic in Israel, Canada, and Germany and find that the lag time between reported cases and deaths, which we term case-death latency, is closely correlated with adjusted case fatality rates across these countries. Our findings illustrate the spatiotemporal variability of both these disease metrics within and between different disease landscapes. They also highlight the complex relationship between case-death latency, adjusted case fatality rate, and COVID-19 management across various degrees of decentralized governments and administrative structures, which provides a retrospective framework for responding to future pandemics and disease outbreaks.
Development and validation of a decision model for the evaluation of novel lung cancer treatments in the Netherlands
Authors: Mfumbilwa Zakile A. , Wilschut Janneke A. , Simons Martijn J. H. G. , Ramaekers Bram , Joore Manuela , Retèl Valesca , der Welle Christine M. Cramer-van , Schramel Franz M. N. H. , van de Garde Ewoudt M. W. , Coupé Veerle M. H.
Published: February 2023

Recent discoveries in molecular diagnostics and drug treatments have improved the treatment of patients with advanced (inoperable) non-squamous non-small cell lung cancer (NSCLC) from solely platinum-based chemotherapy to more personalized treatment, including targeted therapies and immunotherapies. However, these improvements come at considerable costs, highlighting the need to assess their cost-effectiveness in order to optimize lung cancer care. Traditionally, cost-effectiveness models for the evaluation of new lung cancer treatments were based on the findings of the randomized control trials (RCTs). However, the strict RCT inclusion criteria make RCT patients not representative of patients in the real-world. Patients in RCTs have a better prognosis than patients in a real-world setting. Therefore, in this study, we developed and validated a diagnosis-treatment decision model for patients with advanced (inoperable) non-squamous NSCLC based on real-world data in the Netherlands. The model is a patient-level microsimulation model implemented as discrete event simulation with five health events. Patients are simulated from diagnosis to death, including at most three treatment lines. The base-model (non-personalized strategy) was populated using real-world data of patients treated with platinum-based chemotherapy between 2008 and 2014 in one of six Dutch teaching hospitals. To simulate personalized care, molecular tumor characteristics were incorporated in the model based on the literature. The impact of novel targeted treatments and immunotherapies was included based on published RCTs. To validate the model, we compared survival under a personalized treatment strategy with observed real-world survival. This model can be used for health-care evaluation of personalized treatment for patients with advanced (inoperable) NSCLC in the Netherlands.
Empirical investigations into Kruskal-Wallis power studies utilizing Bernstein fits, simulations and medical study datasets
Authors: Clark Jeremy S. C. , Kulig Piotr , Podsiadło Konrad , Rydzewska Kamila , Arabski Krzysztof , Białecka Monika , Safranow Krzysztof , Ciechanowicz Andrzej
Published: February 2023

Bernstein fits implemented into R allow another route for Kruskal-Wallis power-study tool development. Monte-Carlo Kruskal-Wallis power studies were compared with measured power, a Monte-Carlo ANOVA equivalent and with an analytical method, with or without normalization, using four simulated runs, each with 60–100 populations (each population with N = 30,000 from a set of Pearson-type ranges): random selection gave 6300 samples analyzed for predictive power. Three medical-study datasets (Dialysis/systolic blood pressure; Diabetes/sleep-hours; Marital-status/high-density-lipoprotein cholesterol) were also analyzed. In three from four simulated runs (run_one, run_one_relaxed, and run_three) with Pearson types pooled, Monte-Carlo Kruskal-Wallis gave predicted sample sizes significantly slightly lower than measured but more accurate than with ANOVA methods; the latter gave high sample-size predictions. Populations (run_one_relaxed) with ANOVA assumptions invalid gave Kruskal-Wallis predictions similar to those measured. In two from three medical studies, Kruskal-Wallis predictions (Dialysis: similar predictions; Marital: higher than measured) were more accurate than ANOVA (both higher than measured) but in one (Diabetes) the reverse was found (Kruskal-Wallis: lower; Monte-Carlo ANOVA: similar to measured). These preliminary studies appear to show that Monte-Carlo Kruskal-Wallis power studies, based on Bernstein fits, might perform better than ANOVA equivalents in many settings (and provide reasonable results when ANOVA cannot be used); and both Monte-Carlo methods appeared to be considerably more accurate than the analytical version analyzed.
Information extraction from German radiological reports for general clinical text and language understanding
Authors: Jantscher Michael , Gunzer Felix , Kern Roman , Hassler Eva , Tschauner Sebastian , Reishofer Gernot
Published: February 2023

Recent advances in deep learning and natural language processing (NLP) have opened many new opportunities for automatic text understanding and text processing in the medical field. This is of great benefit as many clinical downstream tasks rely on information from unstructured clinical documents. However, for low-resource languages like German, the use of modern text processing applications that require a large amount of training data proves to be difficult, as only few data sets are available mainly due to legal restrictions. In this study, we present an information extraction framework that was initially pre-trained on real-world computed tomographic (CT) reports of head examinations, followed by domain adaptive fine-tuning on reports from different imaging examinations. We show that in the pre-training phase, the semantic and contextual meaning of one clinical reporting domain can be captured and effectively transferred to foreign clinical imaging examinations. Moreover, we introduce an active learning approach with an intrinsic strategic sampling method to generate highly informative training data with low human annotation cost. We see that the model performance can be significantly improved by an appropriate selection of the data to be annotated, without the need to train the model on a specific downstream task. With a general annotation scheme that can be used not only in the radiology field but also in a broader clinical setting, we contribute to a more consistent labeling and annotation process that also facilitates the verification and evaluation of language models in the German clinical setting.
Accelerated degradation of plastic products via yeast enzyme treatment
Authors: Kitamoto Hiroko , Koitabashi Motoo , Sameshima-Yamashita Yuka , Ueda Hirokazu , Takeuchi Akihiko , Watanabe Takashi , Sato Shun , Saika Azusa , Fukuoka Tokuma
Published: February 2023

Biodegradable plastics can solve the problem of unwanted plastics accumulating in the environment if they can be given the contradictory properties of durability in use and rapid degradation after use. Commercially available agricultural biodegradable mulch films are made from formulations containing polybutylene adipate-co-terephthalate (PBAT) to provide mechanical and UV resistance during the growing season. Although used films are ploughed into the soil using a tiller to promote decomposition, it is difficult if they remain durable. We showed that an enzyme produced by the leaf surface yeast Pseudozyma antarctica (PaE) degrades PBAT-containing films. In laboratory studies, PaE randomly cleaved the PBAT polymer chain and induced erosion of the film surface. In the field, commercial biodegradable films containing PBAT placed on ridges were weakened in both the warm and cold seasons by spraying the culture filtrate of P. antarctica. After the field was ploughed the next day, the size and total weight of residual film fragments decreased significantly (p < 0.05). Durable biodegradable plastics used in the field are degraded using PaE treatment and are broken down into small fragments by the plough. The resultant degradation products can then be more readily assimilated by many soil microorganisms.
Differential expression patterns of long noncoding RNAs in a pleiomorphic diatom and relation to hyposalinity
Authors: Debit Ahmed , Charton Florent , Pierre-Elies Priscillia , Bowler Chris , Cruz de Carvalho Helena
Published: February 2023

Long non-coding (lnc)RNAs have been shown to have central roles in stress responses, cell identity and developmental processes in multicellular organisms as well as in unicellular fungi. Previous works have shown the occurrence of lncRNAs in diatoms, namely in Phaeodactylum tricornutum, many of which being expressed under specific stress conditions. Interestingly, P. tricornutum is the only known diatom that has a demonstrated morphological plasticity, occurring in three distinct morphotypes: fusiform, triradiate and oval. Although the morphotypes are interchangeable, the fusiform is the dominant one while both the triradiate and the oval forms are less common, the latter often being associated with stress conditions such as low salinity and solid culture media, amongst others. Nonetheless, the molecular basis underpinning morphotype identity in P. tricornutum remains elusive. Using twelve previously published transcriptomic datasets originating from the three morphotypes of P. tricornutum, we sought to investigate the expression patterns of lncRNAs (lincRNAs and NATs) in these distinct morphotypes, using pairwise comparisons, in order to explore the putative involvement of these noncoding molecules in morphotype identity. We found that differentially expressed lncRNAs cluster according to morphotype, indicating that lncRNAs are not randomly expressed, but rather seem to provide a specific (noncoding) transcriptomic signature of the morphotype. We also present evidence to suggest that the major differences in DE genes (both noncoding and coding) between the stress related oval morphotype and the most common fusiform morphotype could be due, to a large extent, to the hyposaline culture conditions rather than to the morphotype itself. However, several lncRNAs associated to each one of the three morphotypes were identified, which could have a potential role in morphotype (or cell) identity in P. tricornutum, similar to what has been found in both animals and plant development.
Intra-individual variation of hen movements is associated with later keel bone fractures in a quasi-commercial aviary
Authors: Montalcini Camille M. , Toscano Michael J. , Gebhardt-Henrich Sabine G. , Petelle Matthew B.
Published: February 2023

Measuring intra- and inter-individual variation in movement can bring important insights into the fundamental ecology of animals and their welfare. Although previous studies identified consistent differences in movements of laying hens within commercial aviaries, the level of consistency was not quantified, limiting our capacity to understand the importance of individual movements for welfare. We aimed to quantify the scope of intra- and inter-individual differences in movements of commercial laying hens and examined their associations with indicators of welfare at the end of production. We quantified individual differences in one composite daily movement score for 80 hens over 54 days post-transfer to a quasi-commercial aviary. Results showed consistent inter-individual differences in movement averages, explaining 44% of the variation, as well as individual variation in predictability and temporal plasticity (at the population-level, hens increased their movements for 39 days). Hens that were more predictable in their daily movements had more severe keel bone fractures at the end of production while we found no such correlation between daily movement averages (individual intercept) and welfare indicators. Our findings highlight the importance of inter-individual difference in intra-individual variation of movements to improve poultry welfare.
Whole genome sequence analysis of the first reported isolate of Salmonella Agona carrying blaCTX-M-55 gene in Brazil
Authors: de Jesus Bertani Amanda Maria , Vieira Thais , Reis Alex Domingos , dos Santos Carla Adriana , de Almeida Elisabete Aparecida , Camargo Carlos Henrique , Casas Monique Ribeiro Tiba
Published: February 2023

This study analyzes the genomic findings of the first report of Salmonella isolate carrying the blaCTX-M-55 gene, recovered from a bacteremic patient from Brazil. A bacterial isolate positive for the blaCTX-M-55 gene was submitted to antimicrobial susceptibility testing by disk diffusion and epsilometric test. Whole genome sequencing was performed using Illumina technology. Conjugation assay was performed; plasmid sizes determined by S1-PFGE and plasmid content were investigated by hybrid assembly after MinION long reads sequencing. Isolate 288_18 was identified as sequence type ST13, resistant to ampicillin, cefotaxime, ceftazidime, cefepime, ceftriaxone, and aztreonam. A transferable IncFII plasmid sized approximately 67 kb was found to carry the blaTEM-1 and blaCTX-M-55 in a module consisting of IS26-blaTEM-1B-WbuC-blaCTX-M-55-IS26. In addition, an 117 kb IncI1plasmid was also identified in the 288_18 isolate, but without additional resistance genes. To the best of our knowledge, this is the first report of blaCTX-M-55 in Salmonella isolated from human infection in Brazil. The occurrence of blaCTX-M-55 in the IncFII epidemic plasmid in a relevant clinical human isolate of Salmonella Agona underscores the urgent need for enhanced and effective continuous surveillance for controlling its dissemination.
Versatile clinical movement analysis using statistical parametric mapping in MovementRx
Authors: Alhossary Amr , Pataky Todd , Ang Wei Tech , Chua Karen Sui Geok , Kwong Wai Hang , Donnelly Cyril John
Published: February 2023

Clinical gait analysis is an important biomechanics field that is often influenced by subjectivity in time-varying analysis leading to type I and II errors. Statistical Parametric Mapping can operate on all time-varying joint dynamics simultaneously, thereby overcoming subjectivity errors. We present MovementRx, the first gait analysis modelling application that correctly models the deviations of joints kinematics and kinetics both in 3 and 1 degrees of freedom; presented with easy-to-understand color maps for clinicians with limited statistical training. MovementRx is a python-based versatile GUI-enabled movement analysis decision support system, that provides a holistic view of all lower limb joints fundamental to the kinematic/kinetic chain related to functional gait. The user can cascade the view from single 3D multivariate result down to specific single joint individual 1D scalar movement component in a simple, coherent, objective, and visually intuitive manner. We highlight MovementRx benefit by presenting a case-study of a right knee osteoarthritis (OA) patient with otherwise undetected postintervention contralateral OA predisposition. MovementRx detected elevated frontal plane moments of the patient’s unaffected knee. The patient also revealed a surprising adverse compensation to the contralateral limb.
Biodegradable photothermal thermosensitive hydrogels treat osteosarcoma by reprogramming macrophages
Authors: Luo Guowen , Xu Ziyang , Zhong Hua , Shao Hongwei , Liao Hongyi , Liu Nan , Jiang Xulin , Zhang Yu , Ji Xiongfa
Published: February 2023

A biocompatible, injectable, and thermalsensitive hydrogel, HTA, exhibited tumor-killing and reprogramming of TAMs effects by photothermal therapy.
Macroporous SnO2/MoS2 inverse opal hierarchitecture for highly efficient trace NO2 gas sensing
Authors: Liu Hang , Zhao Ying , Liu Yaoda , Liang Tingting , Tian Yahui , Sakthivel Thangavel , Peng Shengjie , Kim Soo Young , Dai Zhengfei
Published: February 2023

A macroporous SnO2/MoS2 inverse opal hierarchitecture has been synthesized via a self-assembled colloidal template method and hydrothermal treatment, demonstrating highly sensitive and selective sensing properties towards trace NO2 detection.
A bead–string Co/C@BNNT nanocomposite: preparation and tunable electromagnetic wave absorption performance
Authors: Liu Lu , Wen Bianying
Published: February 2023

A bead–string Co/C@BNNT nanocomposite was fabricated by in situ synthesis combined with the carbonization method using the Co-MOF ZIF-67 as the precursor and rigid insulating boron nitride nanotubes (BNNTs) as the carrier.
Thermodynamic and optical properties of HCOOH(H2O)n and HCOOH(NH3)(H2O)(n−1) clusters at various temperatures and pressures: a computational study
Authors: Patla Arnab , Subramanian Ranga
Published: February 2023

Density functional theory has been used to compute the gas-phase geometries, thermodynamical, and optical properties of and cluster with n = 1–8, 10, 12, 14, 16, 18, and 20.
Molecular dynamics simulation-based trinucleotide and tetranucleotide level structural and energy characterization of the functional units of genomic DNA
Authors: Sharma Dinesh , Sharma Kopal , Mishra Akhilesh , Siwach Priyanka , Mittal Aditya , Jayaram B.
Published: February 2023

Our work focuses on the structural and energetic analysis of promoters and exon–intron boundaries within DNA using Molecular Dynamics simulation-based parameters mapped over trinucleotides and tetranucleotides.
Modern non-polarizable force fields diverge in modeling the enzyme–substrate complex of a canonical serine protease
Authors: Belyaeva Julia , Zlobin Alexander , Maslova Valentina , Golovin Andrey
Published: February 2023

Significantly diverging results may be obtained while modeling the behavior of an enzyme–substrate complex with modern non-polarizable force fields.
A study on theoretical models for investigating time-resolved photoluminescence in halide perovskites
Authors: Chen Jing , Lv Jing , Liu Xiaolin , Lin Jia , Chen Xianfeng
Published: February 2023

By theoretical models, the inside physical picture and corresponding parameters of carrier dynamics in halide perovskites from the TRPL curves can be obtained. Here, we review and compare the usage preferences of the models reported up to now.
Perylene-based molecular device: multifunctional spintronic and spin caloritronic applications
Authors: Wu Xuming , Xiao Shifa , Quan Jun , Tian Chunhua , Gao Guoying
Published: February 2023

The eigenstate distribution of the HOMO and LUMO in the perylene-based device.
Supported boron-based catalysts for oxidative dehydrogenation of light alkanes to olefins
Authors: Lu Wen-Duo , Qiu Bin , Liu Zhan-Kai , Wu Fan , Lu An-Hui
Published: February 2023

Boron-based catalysts have shown great fundamental and practical value in oxidative dehydrogenation (ODH) of light alkanes to olefins.
Mapping the photochemistry of cyclopentadiene: from theory to ultrafast X-ray scattering
Authors: Bertram Lauren , Weber Peter M. , Kirrander Adam
Published: February 2023

The photochemistry of cyclopentadiene is investigated using nonadiabatic dynamics simulations. Observables for ultrafast X-ray scattering experiments are predicted and mapped onto the structural dynamics.
The protection of luteolin against diabetic cardiomyopathy in rats is related to reversing JNK-suppressed autophagy
Authors: Xiao Chi , Chen Meng-Yuan , Han Yu-Peng , Liu Li-Juan , Yan Jia-Lin , Qian Ling-Bo
Published: February 2023

Luteolin improves cardiac function and myocardial remodeling with down-regulation of JNK/c-Jun/miR-221 pathway-inhibited autophagy in the diabetic heart, suggesting that luteolin's inhibition of DCM is associated with reversing JNK-suppressed autophagy.
Sodium-iodide-promoted nickel-catalyzed C–N cross-coupling of aryl chlorides andN-nucleophiles under visible-light irradiation
Authors: Feng Yunhui , Luo Hang , Yu Fangnian , Liao Qian , Lin Luqing
Published: February 2023

Sodium iodide facilitates halogen exchange in single nickel photocatalysis, which is critical to achieve C–N couplings of aryl chlorides and diverse nitrogen nucleophiles under visible-light irradiation in the absence of an exogenous photocatalyst.
Universal ion-transport descriptors and classes of inorganic solid-state electrolytes
Authors: López Cibrán , Emperador Agustí , Saucedo Edgardo , Rurali Riccardo , Cazorla Claudio
Published: February 2023

A comprehensive first-principles database is introduced for prototypical families of inorganic solid-state electrolytes containing sets of zero-temperature DFT and finite-temperature ab initio molecular dynamic results.
Incorporation of viridicatin alkaloid-like scaffolds into DNA-encoded chemical libraries
Authors: Fang Xianfu , Liao Huilin , Fan Xiaohong , Wang Yiting , Wang Huihong , Zhang Gong , Fang Wei , Li Yangfeng , Li Yizhou
Published: February 2023

We have developed an efficient on-DNA synthesis of viridicatin alkaloid-like conjugates from isatins and DNA-tagged aldehydes.
Manipulating the formation of cesium lead bromide nanocrystals via oleic acid
Authors: Wang Miao , Yu Qiyu , Yu Tian , Zhang Sijie , Gong Min , Liu Yuehui
Published: February 2023

The phase-selective controlled synthesis of Cs4PbBr6 and CsPbBr3 nanocrystals was realized by adjusting the dosage of oleic acid.
Kinetic study of polydopamine sphere synthesis using TRIS: relationship between synthesis conditions and final properties
Authors: García-Mayorga Juan Carlos , Rosu Haret-Codratian , Jasso-Salcedo Alma Berenice , Escobar-Barrios Vladimir Alonso
Published: February 2023

Synthesized PDA shows unexpected regular structure giving crystallinity. Kinetic parameters for spherical PDA are reported showing that polymerization depends upon TRIS concentration and temperature.
Thermal degradation and flame retardancy of nylon 6/aluminum methylmethoxy phosphonate composites
Authors: Vothi Hai , Kim Chowon , Nguyen TanBinh , Lee Jinwoo , Nguyen Lan-Anh T. , Suhr Jonghwan
Published: February 2023

Synthesis scheme of aluminum methylmethoxyphosphonate (AlPo).
One-step hydrothermal preparation of Ta-doped ZnO nanorods for improving decolorization efficiency under visible light
Authors: Ha Luu Thi Viet , Dao Ngoc Nhiem , Le Pham Hoang Ai , Nguyen Quang Bac , Nguyen Van Cuong , Dang Phuc Huu
Published: February 2023

The Ta doped ZnO nanorods (Ta-ZnO) were synthesized by a hydrothermal method at different temperatures (110, 150, and 170 °C) for the photodegradation of methylene blue (MB) under visible light.
Preparation of core–shell catalyst for the tandem reaction of amino compounds with aldehydes
Authors: Liang Jinhua , Wu Lan , Li Zhenhua , Liu Yang , Ding Nana , Dong Zhengping
Published: February 2023

One-pot reductive amination: benzaldehyde and aniline were converted into high-value secondary amines by using a heterogeneous Pd-based core–shell catalyst and H2as a hydrogen source.
Concentration-dependent dielectric and electro-optical properties of composites based on nematic liquid crystals and CdS:Mn quantum dots
Authors: Kurilov Alexander D. , Chausov Denis N. , Osipova Valentina V. , Sagdeev Dmitriy O. , Chekulaev Igor S. , Kucherov Roman N. , Belyaev Victor V. , Galyametdinov Yuriy G.
Published: February 2023

In liquid crystal/quantum dots composites, a nonmonotonic increase in the electrooptical performance with a change in dopant concentration was found. The changes are explained within the framework of the self-organization hypothesis of quantum dots.
A metallic La3C2 monolayer with remarkable activity for the hydrogen evolution reaction: a first-principles study
Authors: Lou Huan , Yang Guochun
Published: February 2023

The key challenge to realizing large-scale hydrogen production via the hydrogen evolution reaction (HER) is the search for efficient and cost-effective catalysts.
Fluorinated MXenes accelerate the hydrogen evolution activity of in situ induced snowflake-like nano-Pt
Authors: Zhao Xue , Chen Mengshan , Zhou Yingtang , Zhang Haibo , Hu Guangzhi
Published: February 2023

The weak reducing agent closo-[B12H12]2− was cleverly modified onto the surface of MXenes to introduce snowflake-like nano-Pt in situ, and thus achieve high-quality active hydrogen evolution reaction.
Ultrafast photoinduced carrier dynamics in single crystalline perovskite films
Authors: Huo Tianyu , Yan Lihe , Si Jinhai , Ma Peipei , Hou Xun
Published: February 2023

Carrier dynamic processes in CsPbBr3 single crystalline perovskite, including hot carrier cooling, defect state trapping and carrier recombination, were studied using micro-region transient absorption technique.
Skin-like copper/carbon nanotubes/graphene composites and low thermogenesis during electromagnetic interference shielding
Authors: Liu Haizhou , Xu Ying , Yang Kang , Yong Haiyang , Huang Yan , Han Dong , Hong Xiuping , Yang Qiaowen
Published: February 2023

Electromagnetic interference (EMI) shielding is essential for protecting the biological and electronic devices from electromagnetic waves.
N-Doped branched carbon nanofibers@S as a cathode for lithium–sulfur batteries
Authors: Zhou Yongsheng , Qin Yu , Zhu Yingchun , Xu Bingshe
Published: February 2023

NBCNF@S was designed for Li–S batteries via physical and chemical confinement strategies.
Boosting photocatalytic performance of CdxZn1–xS for H2 production by Mo2C MXene with large interlayer distance
Authors: Jin Sen , Wu Jiabin , Jiang Jizhou , Wang Ruige , Zhou Bingxin , Wang Libo , Hu Qianku , Zhou Aiguo
Published: February 2023

CdxZn1−xS solid solution grow up on the surface of Mo2C MXene with in situ intercalation of CTA+.
Protein kinase C showcases allosteric control: activation of LRRK1
Authors: Tovell Hannah , Newton Alexandra C.
Published: February 2023

Allosteric regulation of multi-domain protein kinases provides a common mechanism to acutely control kinase activity. Protein kinase C serves as a paradigm for multi-domain proteins whose activity is exquisitely tuned by interdomain conformational changes that keep the enzyme off in the absence of appropriate stimuli, but unleash activity in response to second messenger binding. Allosteric regulation of protein kinase C signaling has been optimized not just for itself: Alessi and colleagues discover that protein kinase C phosphorylates LRRK1, a kinase with even more domains, at sites on its CORB GTPase domain to allosterically activate LRRK1.
Review and analysis of deep neural network models for Alzheimer's disease classification using brain medical resonance imaging
Authors: Pallawi Shruti , Singh Dushyant Kumar
Published: February 2023

Alzheimer's disease is a type of progressive neurological disorder which is irreversible and the patient suffers from severe memory loss. This disease is the seventh largest cause of death across the globe. As yet there is no cure for this disease, the only way to control it is its early diagnosis. Deep Learning techniques are mostly preferred in classification tasks because of their high accuracy over a large dataset. The main focus of this paper is on fine‐tuning and evaluating the Deep Convolutional Networks for Alzheimer's disease classification. An empirical analysis of various deep learning‐based neural network models has been done. The architectures evaluation includes InceptionV3, ResNet with 50 layers and 101 layers and DenseNet with 169 layers. The dataset has been taken from Kaggle which is publicly available and comprises of four classes which represents the various stages of Alzheimer's disease. In our experiment, the accuracy of DenseNet consistently improved with the increase in the number of epochs resulting in a 99.94% testing accuracy score better than the rest of the architectures. Although the results obtained are satisfactory, but for future research, we can apply transfer learning on other deep models like Inception V4, AlexNet etc., to increase accuracy and decrease computational time. Also, in future we can work on other datasets like ADNI or OASIS and use Positron emitted tomography, diffusion tensor imaging neuroimages and their combinations for better result.
Compliant‐based robotic 3D bin packing with unavoidable uncertainties
Authors: Shuai Wei , Gao Yang , Wu Peichen , Cui Guowei , Zhuang Qinghao , Chen Rongya , Chen Xiaoping
Published: February 2023

Robotic 3D bin packing (R‐3dBPP), aiming to place deformed cases in various sizes in the container without fences, is a comprehensive application that includes perception, planning, execution, and hardware design. Traditional studies assume that the context of the real space must be accurately perceived and represented. However, disjunctions between the planner and reality are unavoidable in R‐3dBPP, especially with low‐cost sensors. As far as the author knows, there is no practical solution. In this paper, the above assumption is discarded and the typical types of uncertainties prevalent to guide the design of the algorithms are formulated. A new online bin‐packing algorithm is proposed, keeping deformed boxes stacked in close contact with each other, so that the whole pallet is kept stable by friction between the boxes and the container. In order to meet the requirement of close contact under the non‐negligible errors from sensors and planners, a compliant‐based motion planning system is introduced. It replaces the precision‐based feedback with a compliant end‐effector and accompanying motion strategies. Last but not least, a complete online bin‐packing robot system is developed and the system's performance under the influence of the uncertainties mentioned above through simulation and physical experiments is evaluated.
Novel green synthesis of tin nanoparticles by medicinal plant: Chemical characterization and determination of cytotoxicity, cutaneous wound healing and antioxidant properties
Authors: Shu Miaoqing , Mahdavi Behnam , Balčiūnaitienė Aiste , Goorani Samaneh , Mahdavi Amir Ali
Published: February 2023

In the present study, tin nanoparticles were green‐synthesized using the aqueous extract of Foeniculum vulgare leaf aqueous extract. The synthesized SnNPs (tin nanoparticles) were characterized by analytical techniques including EDX (energy dispersive X‐ray), FE‐SEM (field emission scanning electron microscopy), XRD (X‐ray diffraction), UV–vis and FT‐IR (Fourier transform‐infrared). The cytotoxicity activity of SnNPs was evaluated using MTT (3‐[4,5‐dimethylthiazol‐2‐yl]‐2,5 diphenyl tetrazolium bromide) assay. The nanoparticles were formed in a spherical shape in the range size of 26.45–38.53 nm. In the antioxidant test, the IC50 of F. vulgare, SnNPs@FV (Sn nanoparticles@ F. vulgare) and BHT (butylated hydroxytoluene) against DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) free radicals were 384, 119 and 71 µg/mL, respectively. In the cellular and molecular part of the recent study, the treated cells with SnNPs@FV were assessed by MTT assay for 48h about the cytotoxicity property on normal HUVEC (human umbilical vein endothelial cells) cell line. In vivo experiment, SnNPs@FV ointment significantly decreased (p ≤ 0.01) the wound area, total cells, neutrophil and lymphocyte and notably increased (p ≤ 0.01) the wound contracture, vessel, hydroxyl proline, hexosamine, hexuronic acid and fibrocyte compared to other groups in rats. Further clinical trials are necessary for confirmation of these remedial properties of SnNPs@FV in humans.
Online path planning of cooperative mobile robots in unknown environments using improved Q‐Learning and adaptive artificial potential field
Authors: Ataollahi Melika , Farrokhi Mohammad
Published: February 2023

Online path planning in unknown environments with obstacles is a challenging issue in mobile robot systems. Cooperative mobile robots have received much attention in recent years due to their robustness and ability to perform more complex tasks and operations faster. In this article, by unifying the Dyna Q‐learning and a novel concept (introduced as a feature matrix) an improved Q‐learning is proposed that accelerates the learning process even with poor choice of parameters. In addition, to overcoming the local minima, an adaptive artificial potential field method is developed, so that two parameters of the new concept named the virtual obstacle are controlled using the massachusetts institute of technology (MIT) method to navigate the mobile robot in the proper direction. Then, with proper utilizing of the improved Q‐learning and adaptive artificial potential field method, the path planning is performed online effectively while target tracking and collision avoidance are guaranteed. Finally, the performance of the proposed method is tested on decentralized cooperative mobile robots. The simulation results showed optimal path planning in terms of the distance in an unknown environment and collision avoidance with the obstacles. In addition, getting out of the local minima (i.e. immobility) is guaranteed in all situations.
Active power balance capability of security and stability control system (SSCS) against outage of UHVDC
Authors: Li Shenghu , Yan Yunsong , Ren Jianfeng , Han Wei
Published: February 2023

The aim of the security and stability control system (SSCS) is to maintain active power balance and frequency stability. For large SSCS, it is difficult to find the state space and the transition rates of the paths. The flat design yields more complex topology. Considering the random outages, the ultra‐high‐voltage dc (UHVDC) has more capacity levels and states. The existing evaluation cannot quantify the power balance capability of the SSCS. This paper newly quantifies active power balance capability of the multi‐level SSCS with partial or complete outage of the UHVDC. An incidence matrix is proposed to describe the topology of the SSCS. A recursive solution to calculate the transition rates is proposed. The equivalent downward transition rate is newly defined. The increasable generation and the transition rates of the UHVDC at any initial state are newly included. The numerical analysis shows that the incidence matrix and recursive algorithm reduces the calculation effort for the practical SSCS with multi‐level, redundancy component, and flat design. The active power balance capability of the SSCS is decided by the increasable power, the reduced generation and the downward transition rate.
Understanding the uptake of diagnostics for sustainable gastrointestinal nematode control by European dairy cattle farmers: a multi-country cross-sectional study
Authors: Vande Velde Fiona , Hektoen Lisbeth , Phythian Claire J. , Rinaldi Laura , Bosco Antonio , Hinney Barbara , Gehringer Martin , Strube Christina , May Katharina , Knubben-Schweizer Gabriela , Martins Oliva M.D. , Mateus Teresa L. , Simion Violeta-Elena , Charlier Johannes , Bartley David J. , Claerebout Edwin
Published: February 2023

To mitigate emerging anthelmintic resistance (AR) in cattle, sustainable gastrointestinal nematode control strategies should be adopted. A multi-centre study was set up to understand the factors affecting European dairy cattle farmers’ adoption of diagnostics and to gauge for differences between regions. The data were collected through a multi-lingual survey by participating countries of the European Co-operation in Science and Technology (COST) action COMbatting Anthelmintic Resistance in ruminants (COMBAR). Four countries provided sufficient data to be included in the data analysis: Norway, Italy, Germany and Austria. Three models were estimated and validated through structural equation modelling. Norway, along with Germany and Austria (pooled dataset) showed similar trends that align with previous studies. AR risk perception had no influence on the adoption intention of diagnostics, a positive influence was found for attitude towards diagnostics and subjective norms (i.e., perceived opinion of others), and a negative influence of attitudes towards anthelminthics. Additionally, routine (i.e., perception of the current treatment) had an indirect effect on adoption intention through attitudes. Italy’s data deviated from these findings, presenting a positive effect of the perceived severity of AR, and perceived behavioural control (i.e., perceived ability to perform a specific behaviour) on adoption intention of diagnostics. Finally, Norway’s data set allowed for inclusion of a measurement of current behaviour in the model, identifying a direct positive effect of the perceived actual behaviour of other farmers on their own behaviour.
Schematherapie mit Schafen: Tiergestützte Intervention in der
schematherapeutischen, psychiatrischen Suchtbehandlung
Authors: Schmid Petra , Nauss Carmen , Uhlmann Carmen
Published: February 2023

Ziel der Studie Abhängigkeitserkrankungen werden unter anderem
schematherapeutisch behandelt. Es stellt sich die Frage, ob
tiergestützte Interventionen die Effekte verbessern können.

Methodik Während einer stationären psychiatrischen
Suchtbehandlung mit schematherapeutischem Schwerpunkt wurde eine
tiergestützte Intervention mit Schafen durchgeführt. Eine
Kasuistik wird vorgestellt.

Ergebnisse Das individuelle Modusmodell der vorgestellten Patientin weist
nach der Intervention deutliche Veränderungen hin zu einer
Stärkung des gesunden Erwachsenenmodus und fröhlichen Kindmodus
und einer Reduktion der dysfunktionalen Modi auf.

Schlussfolgerung Die tiergestützte Intervention, eingebettet in
einen schematherapeutischen Kontext, wurde bei dieser Patientin als gut
umsetzbar sowie beeindruckend wirkungsvoll hinsichtlich einer Modifikation des
Modusmodells erlebt.
Die Aggressive Fibromatose. Eine retrospektive Analyse von 110
Patienten
Authors: Lehnhardt Marcus , Weskamp Pia , Sogorski Alexander , Reinkemeier Felix , von Glinski Maxi , Behr Björn , Harati Kamran
Published: February 2023

Die aggressive Fibromatose, histologisch aufgrund der ausbleibenden
Metastasierung als benigne klassifiziert, ist charakterisiert durch ein lokal
invasives und destruierendes Wachstum mit hohen Rezidivraten nach der Resektion.
Aus diesem Grund sind prognostische Rezidivfaktoren, insbesondere das
Ausmaß der Resektion viel diskutiert und Therapieentscheidungen
herausfordernd für interdisziplinäre Tumorkonferenzen. Zwischen
den Jahren 2000–2020 wurden 110 Patienten mit einer aggressiven
Fibromatose der Extremitäten oder des Körperstamms am BG
Universitätsklinikum Bergmannsheil Bochum chirurgisch behandelt. Zur
Aufdeckung potenzieller Prognosefaktoren für die lokale Kontrolle wurden
univariate Analysen durchgeführt. Die mediane Nachbeobachtungszeit war
5,9 Jahre. Insgesamt entwickelten 57 (51,8%) der nachuntersuchten
Patienten in diesem Zeitraum ein Rezidiv. Das rezidivfreie
5-Jahresüberleben lag in der gesamten Kohorte bei 52,9%
(95%-KI: 42,4–62,3). Bei R0-resezierten Patienten war das
rezidivfreie Überleben (RFÜ) nach 5 Jahren mit 69,2% im
Vergleich zu Patienten mit R1- oder R2 resezierten Tumoren (32,6%)
signifikant besser (P<0,001). Darüber hinaus konnten keine
weiteren signifikanten Einflussfaktoren ausgemacht werden. Die Ergebnisse der
vorliegenden Studie zeigen, dass eine R0-Resektion bzw. eine
R0-Resektabilität des Primärtumors mit einer signifikant
besseren lokalen Kontrolle assoziiert ist. Die Therapieempfehlung zur Resektion
sollte hierbei durch ein interdisziplinäres Tumorboard individuell nach
Prüfung der Tumorprogression, möglicher Therapiealternativen und
absehbarer Funktionsbeeinträchtigungen getroffen werden.
Pulmonale Hypertonie – Update Diagnostik und Screening
Authors: Richter Manuel , Tello Khodr
Published: February 2023

Die pulmonale Hypertonie (PH) ist eine multifaktorielle pulmonalvaskuläre Erkrankung. Bei Patienten mit Belastungsdyspnoe sollte an eine PH als seltene Differenzialdiagnose gedacht werden.
Im klinischen Alltag ist die wichtigste Screeningmethode die Echokardiografie. Zentral zur Stellung der Verdachtsdiagnose ist die Bestimmung der maximalen Geschwindigkeit des
Regurgitationsjets über der Trikuspidalklappe. Zusätzlich berücksichtigt werden sollten weitere echokardiografische PH-Zeichen wie die Dilatation des rechten Vorhofs oder des Ventrikels. Die
Diagnose einer pulmonalen Hypertonie kann abschließend nur im Rechtsherzkatheter gestellt werden. In den neuesten Leitlinien wurde die hämodynamische Definition der PH verändert. Der
mittlere pulmonalarterielle Druck zur Diagnosestellung einer PH wurde aktuell auf > 20 mmHg gesenkt. Gerade im Hinblick auf die neue hämodynamische Definition ist die sorgfältige
Diagnosestellung in einem erfahrenen PH-Zentrum entscheidend.