bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Calogero–Moser derivative nonlinear Schrödinger equation
Authors: Gérard Patrick , Lenzmann Enno 
Published: May 2024

AbstractWe study the Calogero–Moser derivative nonlinear Schrödinger NLS equation
posed on the Hardy–Sobolev space with suitable . By using a Lax pair structure for this ‐critical equation, we prove global well‐posedness for and initial data with sub‐critical or critical ‐mass . Moreover, we prove uniqueness of ground states and also classify all traveling solitary waves. Finally, we study in detail the class of multi‐soliton solutions and we prove that they exhibit energy cascades in the following strong sense such that as for every .
Understanding the Mechanochemistry of Mechano‐Radicals in Self‐Growth Materials by Single‐Molecule Force Spectroscopy
Authors: Liu Jing , Yang Jiahui , Xue Bin , Cao Yi , Cheng Wei , Li Yiran 
Published: May 2024

AbstractRecent research on mechano‐radicals has provided valuable insights into self‐growth and adaptive responsive materials. Typically, mechanophores must remain inert in the absence of force but respond quickly to external tension before other linkages within the polymer network. Azo compounds exhibit promising combinations of mechanical stability and force‐triggered reactivity, making them widely used as mechano‐radicals in force‐responsive materials. However, the activation conditions and behavior of azo compounds have yet to be quantitatively explored. In this study, we investigated the mechanical strength of three azo compounds using single‐molecule force spectroscopy. Our results revealed that these compounds exhibit rupture forces ranging from ~500 to 1000 pN, at a loading rate of 3×104 pN s−1. Importantly, these mechanophores demonstrate distinct kinetic properties. Their unique mechanical attributes enable azo bond scission and free radical generation before causing major polymer backbone damage of entire material during polymer network deformation. This fundamental understanding of mechanophores holds significant promise for the development of self‐growth materials and their related applications.
Characterizing the Behavior of Water Interacting with a Nano‐Pore Material: A Structural Investigation in Native Environment Using Magnetic Resonance Approaches
Authors: Ye Kai , Chin Sze Yuet , Xi Nicole Lin , Sharma Bhargy , Lu Yunpeng , Xue Kai 
Published: May 2024

AbstractThe study of fluid absorption, particularly that of water, into nanoporous materials has garnered increasing attention in the last decades across a broad range of disciplines. However, most investigation approaches to probe such behaviors are limited by characterization conditions and may lead to misinterpretations. In this study, a combined MRI and MAS NMR method was used to study a nanoporous silica glass to acquire information about its structural framework and interactions with confined water in a native humid environment. Specifically, MRI was used for a quantitative analysis of water extent. While MAS NMR techniques provided structural information of silicate materials, including interactive surface area and framework packing. Analysis of water spin‐spin relaxation times (T2) suggested differences in water confinement within the characterized framework. Subsequent unsuccessful delivery of paramagnetic molecule into the pores enabled a quantitative assessment of the dimensions that “bottleneck” the pores. Finally, pore sizes were derived from the paramagnetic molecular size, density function theory (DFT) simulation and characterizations on standard samples. Our result matches with Brunauer‐Emmett‐Teller (BET) analysis that the pore size is less than 1.3 nm. The use of a paramagnetic probe for pore size determination introduces a new approach of characterization in the liquid phase, offering an alternative to the conventional BET analysis that uses gas molecule as probes.
The Chemical Bond at the Bottom of the Periodic Table: The Case of the Heavy Astatine and the Super‐Heavy Tennessine
Authors: Gamboni Giulia , Belpassi Leonardo , Belanzoni Paola 
Published: May 2024

AbstractIn this work, we study the chemical bond in molecules containing heavy and super‐heavy elements according to the current state‐of‐the‐art bonding models. An Energy Decomposition Analysis in combination with Natural Orbital for Chemical Valence (EDA‐NOCV) within the relativistic four‐component Dirac‐Kohn‐Sham (DKS) framework is employed, which allows to successfully include the spin‐orbit coupling (SOC) effects on the chemical bond description. Simple halogen‐bonded adducts ClX⋯L (X=At, Ts; L=NH3, Br−, H2O, CO) of astatine and tennessine have been selected to assess a trend on descending along a group, while modulating the ClX⋯L bond features through the different electronic nature of the ligand L. Interesting effects caused by SOC have been revealed: i) a huge increase of the ClTs dipole moment (which is almost twice as that of ClAt), ii) a lowering of the ClX⋯L bonding energy arising from different contributions to the ClX…L interaction energy strongly depending on the nature of L, iii) a quenching of one of the π back‐donation components to the bond. In the ClTs(CO) adduct, the back‐donation from ClTs to CO becomes the most important component. The analysis of the electronic structure of the ClX dimers allows for a clear interpretation of the SOC effects in these systems.
The Effects of Patient Preference on Clinical Outcome, Satisfaction and Adherence Within the Treatment of Anxiety and Depression: A Meta‐Analysis
Authors: Eigenhuis Eline , van Buuren Vanessa E. M. , Boeschoten Rosa E. , Muntingh Anna D. T. , Batelaan Neeltje M. , van Oppen Patricia 
Published: May 2024

ABSTRACTBackgroundTaking patient preference into consideration has received increased attention in the last decades. We conducted a meta‐analysis to estimate the effects of patient preference on clinical outcome, satisfaction and adherence regarding treatment of depression and anxiety.MethodsPubmed, Embase, PsycINFO and Scopus were searched for (cluster) randomized controlled trials. Twenty‐six randomized controlled clinical trials were included, comprising 3670 participants, examining the effect of patient preference regarding treatment of anxiety and depression on clinical outcome, satisfaction and/or adherence.ResultsNo effect of patient preference was found on clinical outcome [d = 0.06, 95% CI = (−0.03, 0.15), p = 0.16, n = 23 studies]. A small effect of patient preference was found on treatment satisfaction [d = 0.33, 95% CI = (0.08, 0.59), p = 0.01, n = 6 studies] and on treatment adherence [OR = 1.55, 95% CI = (1.28, 1.87), p < 0.001, n = 22 studies].LimitationsPatient preference is a heterogeneous concept, future studies should strive to equalize operationalization of preference. Subgroup analyses within this study should be interpreted with caution because the amount of studies per analysed subgroup was generally low. Most studies included in this meta‐analysis focused on patients with depression. The small number of studies (n = 6) on satisfaction, prevents us from drawing firm conclusions.ConclusionsWhile this meta‐analysis did not find a positive effect of considering patient preference on clinical outcome, it was associated with slightly better treatment satisfaction and adherence. Accommodating preference of patients with anxiety and depression can improve treatment.Trial RegistrationPROSPERO: CRD42020172556
Assessment of Voice Content for Voice Hearers: Psychometric Evaluation of the Perth Voice Content Questionnaire
Authors: Salt Erica , Skeffington Petra , Reddyhough Caitlin , Paulik Georgie 
Published: May 2024

ABSTRACTThe experience of hearing voices is common to an estimated 7% of the general population, with the presence of negative content being the best predictor of whether individuals will require clinical support. Whilst largely neglected in the literature to date, there are calls to consider the significance of voice content for reducing voice‐related distress. However, no quantitative and comprehensive measure of voice content with suitability for research and clinical use exists. This pilot study aimed to demonstrate preliminary psychometric properties of a newly developed measure, the Perth Voice Content Questionnaire (PVCQ), designed to measure the intensity and themes of positively and negatively valenced voice content, primarily of the dominant voice. The PVCQ and measures of voice severity and related beliefs were completed by 47 voice‐hearing participants. The measure was found to be internally consistent, loaded onto two distinct factors of positive and negative content, and these factors were associated with voice‐related distress and negative beliefs about voices and positive beliefs about voices, respectively, indicating good validity. The PVCQ offers the first self‐report measure of voice content, with preliminary psychometric properties indicating its suitability for clinical and research use.
Emission Color Tuning of Inverse Type Diarylethene Crystals
Authors: Kitagawa Daichi , Seto Yuya , Suganuma Misato , Nakahama Tatsumoto , Sotome Hikaru , Ito Syoji , Miyasaka Hiroshi , Kobatake Seiya 
Published: May 2024

AbstractOrganic luminescent solid materials have attracted much attention due to practical applications such as sensor materials and optical waveguides. We have previously reported that inverse type diarylethenes exhibit strong emission in crystal without causing aggregation‐caused quenching. However, the emission color was limited to mainly green. To tune the emission color, in this work, we newly synthesized inverse type diarylethenes having a shortened π‐conjugation length or a polar substituent and investigated their fluorescence properties in solutions and crystals. The crystals exhibited various emission colors from blue, green, yellow to red depending on the molecular structure. The emission color changes of the crystals were induced by the intermolecular interactions such as CH‐π interactions in addition to the shortened π‐conjugation length and the intramolecular charge transfer character.
Complex Droplet Microreactor for Highly Efficient and Controllable Esterification and Cascade Reactions
Authors: Wei Duo , Yin Nuoqing , Xu Dehua , Ge Lingling , Gao Zihan , Zhang Yanyan , Guo Rong 
Published: May 2024

AbstractA highly efficient complex emulsion microreactor has been successfully developed for multiphasic water‐labile reactions, providing a powerful platform for atom economy and spatiotemporal control of reaction kinetics. Complex emulsions, composing a hydrocarbon phase (H) and a fluorocarbon phase (F) dispersed in an aqueous phase (W), are fabricated in batch scale with precisely controlled droplet morphologies. A biphasic esterification reaction between 2‐bromo‐1,2‐diphenylethane‐1‐ol (BPO) and perfluoro‐heptanoic acid (PFHA) is chosen as a reversible and water‐labile reaction model. The conversion reaches up to 100 % under mild temperature without agitation, even with nearly equivalent amounts of reactants. This efficiency surpasses all reported single emulsion microreactors, i. e., 84~95 %, stabilized by various emulsifiers with different catalysts, which typically necessitate continuous stirring, a high excess of one reactant, and/or extended reaction time. Furthermore, over 3 times regulation threshold in conversion rate is attained by manipulating the droplet morphologies, including size and topology, e. g., transition from completely engulfed F/H/W double to partially engulfed (F+H)/W Janus. Addition‐esterification, serving as a model for triple phasic cascade reaction, is also successfully implemented under agitating‐free and mild temperature with controlled reaction kinetics, demonstrating the versatility and effectiveness of the complex emulsion microreactor.
Advances in SARMs anti‐doping analysis
Authors: Slíž Kristián , Mikuš Peter 
Published: May 2024

AbstractSelective androgen receptor modulators (SARMs) are performance‐enhancing drugs (PEDs) that stimulate anabolism, increase muscle mass and strength and promote recovery from exercise. The use of SARMs in sports is considered doping and is strictly prohibited by the World Anti‐Doping Agency (WADA) and the International Federation of Horseracing Authorities (IFHA). To monitor the abuse of SARMs in sports, it is essential to develop advanced, selective and sensitive analytical methods that provide reliable results. This review evaluates the advances in this area, with a focus on the identification of target analytes related to SARMs, such as SARMs, their metabolites or markers. The aim is to identify targets that could extend the detection windows of SARMs, provide scientific support for results management and/or offer an indirect biomarker‐based approach to doping control. This review also aims to evaluate the current liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) methods developed for the monitoring of SARMs in different biological matrices, including traditional matrices such as urine and serum/plasma samples, as well as alternative matrices such as dried blood spots, hair and nail samples.
Global patterns of nuclear and mitochondrial genetic diversity in marine fishes
Authors: Clark René D. , Pinsky Malin L. 
Published: May 2024

AbstractGenetic diversity is a fundamental component of biodiversity. Examination of global patterns of genetic diversity can help highlight mechanisms underlying species diversity, though a recurring challenge has been that patterns may vary by molecular marker. Here, we compiled 6862 observations of genetic diversity from 492 species of marine fish and tested among hypotheses for diversity gradients: the founder effect hypothesis, the kinetic energy hypothesis, and the productivity‐diversity hypothesis. We fit generalized linear mixed effect models (GLMMs) and explored the extent to which various macroecological drivers (latitude, longitude, temperature (SST), and chlorophyll‐a concentration) explained variation in genetic diversity. We found that mitochondrial genetic diversity followed geographic gradients similar to those of species diversity, being highest near the Equator, particularly in the Coral Triangle, while nuclear genetic diversity did not follow clear geographic patterns. Despite these differences, all genetic diversity metrics were correlated with chlorophyll‐a concentration, while mitochondrial diversity was also positively associated with SST. Our results provide support for the kinetic energy hypothesis, which predicts that elevated mutation rates at higher temperatures increase mitochondrial but not necessarily nuclear diversity, and the productivity‐diversity hypothesis, which posits that resource‐rich regions support larger populations with greater genetic diversity. Overall, these findings reveal how environmental variables can influence mutation rates and genetic drift in the ocean, caution against using mitochondrial macrogenetic patterns as proxies for whole‐genome diversity, and aid in defining global gradients of genetic diversity.
Brute force prey metabarcoding to explore the diets of small invertebrates
Authors: Flo Snorre , Vader Anna , Præbel Kim 
Published: May 2024

AbstractPrey metabarcoding has become a popular tool in molecular ecology for resolving trophic interactions at high resolution, from various sample types and animals. To date, most predator–prey studies of small‐sized animals (<1 mm) have met the problem of overabundant predator DNA in dietary samples by adding blocking primers/peptide nucleic acids. These primers aim to limit the PCR amplification and detection of the predator DNA but may introduce bias to the prey composition identified by interacting with sequences that are similar to those of the predator. Here we demonstrate the use of an alternative method to explore the prey of small marine copepods using whole‐body DNA extracts and deep, brute force metabarcoding of an 18S rDNA fragment. After processing and curating raw data from two sequencing runs of varying depths (0.4 and 5.4 billion raw reads), we isolated 1.3 and 52.2 million prey reads, with average depths of ~15,900 and ~120,000 prey reads per copepod individual, respectively. While data from both sequencing runs were sufficient to distinguish dietary compositions from disparate seasons, locations, and copepod species, greater sequencing depth led to better separation of clusters. As computation and sequencing are becoming ever more powerful and affordable, we expect the brute force approach to become a general standard for prey metabarcoding, as it offers a simple and affordable solution to consumers that is impractical to dissect or unknown to science.
Associations between in‐hospital daily protein intake and adverse clinical outcomes in older patients with heart failure
Authors: Katano Satoshi , Yano Toshiyuki , Yamano Kotaro , Numazawa Ryo , Nagaoka Ryohei , Honma Suguru , Fujisawa Yusuke , Ohori Katsuhiko , Kouzu Hidemichi , Kunihara Hayato , Fujisaki Hiroya , Katayose Masaki , Hashimoto Akiyoshi , Furuhashi Masato 
Published: May 2024

AbstractAimsThe adverse effects of low daily protein intake (DPI) on clinical outcomes in patients with heart failure (HF) are known; however, an optimal DPI to predict event adverse outcomes remains undetermined. Moreover, whether protein restriction therapy for chronic kidney disease is applicable in patients with HF and renal dysfunction remains unclear.Methods and resultsIn this single‐centre, ambispective cohort study, we included 405 patients with HF aged ≥65 years (mean age, 78.6 ± 7.5 years; 50% women). DPI was estimated from consumption over three consecutive days before discharge and normalized relative to the ideal body weight [IBW, 22 kg/m2 × height (m)2]. The primary outcome was a composite of all‐cause mortality and HF‐related readmission within the 2 year post‐discharge period.ResultsDuring an average follow‐up period of 1.49 ± 0.74 years, 100 patients experienced composite events. Kaplan–Meier survival curves revealed a significantly lower composite event‐free rate in patients within the lowest quartile of DPI than in the upper quartiles (log‐rank test, P = 0.02). A multivariate Cox proportional hazards analysis after adjusting for established prognostic markers and non‐proteogenic energy intake revealed that patients in the lowest DPI quartile faced a two‐fold higher risk of composite events than those in the highest quartile [hazard ratio (HR), 2.03; 95% confidence interval (CI), 1.08–3.82; P = 0.03]. The composite event risk linearly increased as DPI decreased (P for nonlinearity = 0.90), with each standard deviation (0.26 g/kg IBW/day) decrease in DPI associated with a 32% increase in composite event risk (HR, 1.32; 95% CI, 1.10–1.71; P = 0.04). There was significant heterogeneity in the effect of DPI, with the possible disadvantage of lower DPI in patients with HF with cystatin C‐based estimated glomerular filtration rate <30 mL/min/1.73 m2. The cutoff value of DPI for predicting the occurrence of composite events calculated from the Youden index was 1.12 g/kg IBW/day. Incorporating a DPI < 1.12 g/kg IBW/day into the baseline model significantly improved the prediction of post‐discharge composite events (continuous net reclassification improvement, 0.294; 95% CI, 0.072–0.516; P = 0.01).ConclusionsLower DPI during hospitalization is associated with an increased risk of mortality and HF readmission independent of non‐proteogenic energy intake, and the possible optimal DPI for predicting adverse clinical outcomes is >1.12 g/kg IBW/day in older patients with HF. Caution is warranted when protein restriction therapy is administered to older patients with HF and renal dysfunction.
Numerical and experimental analysis of edge wave defect control during TA2 circular tube cold roll forming
Authors: Yue Mingze , Zhang Jing , Xiao Bing , Chen Gang , Fang Qiang , Tang Xinxin , Peng Biyou 
Published: May 2024

AbstractThe increasing application of TA2 titanium profiles in marine and petrochemical industries has spurred in a growing demand for diverse forms, including U‐shaped, rectangular, and tubular thin‐walled profiles. Traditional methods like mechanical subtractive processing and extrusion, despite their prevalence, suffer from high production costs and low efficiency. As a metal sheet forming technology, roll forming stands out for its efficiency, accuracy, and capability of producing complex shapes continuously. Nevertheless, the application of cold rolling to TA2 profiles is challenging primarily due to its low elastic modulus and high yield strength. In view of this, this study employed finite element simulation to analyze the stress and strain distribution during the TA2 roll forming process, aiming to have a better understanding of edge wave defect formation mechanism. Orthogonal experiments were performed to assess the influence of frame spacing, forming speed, roll gap, and downhill amount, on edge wave defects. The findings revealed a predominant influence of the downhill amount. Maintaining the downhill volume at 0.6 times the tube diameter kept the longitudinal strain below 0.9%, effectively mitigating edge wave defects. Implementation of these optimized parameters in an actual TA2 roll forming process confirmed the reliability of the simulations. This study establishes a solid foundation for advancing the TA2 tube cold roll forming process, enhancing the production efficiency of titanium profiles, and shedding some light on current energy conservation and emission reduction.
Fermenting kale (Brassica oleracea L.) enhances its functional food properties by increasing accessibility of key phytochemicals and reducing antinutritional factors
Authors: Subedi Ujjwol , Raychaudhuri Samnhita , Fan Si , Ogedengbe Opeyemi , Obanda Diana N. 
Published: May 2024

AbstractThe properties of kale as a functional food are well established. We sought to determine how fermentation further enhances these properties. We tested different fermentation conditions: (i) spontaneous fermentation with naturally occurring bacteria, (ii) spontaneous fermentation with 2% salt, (iii) Lactococcus lactis, (iv) Lactobacillus acidophilus, (v) mixture of L. lactis and L. acidophilus, (vi) mixture of L. lactis, L. acidophilus, and Clostridium butyricum. We quantified selected bioactive components using high‐performance liquid chromatography (HPLC) and antinutritional factors using a gravimetric method and spectrophotometry. We then determined (i) the antioxidant capacity of the vegetable, (ii) anti‐inflammation capacity, and (iii) the surface microbiota composition by 16S sequencing. All fermentation methods imparted some benefits. However, fermentation with mixed culture of L. lactis and L. acidophilus was most effective in increasing polyphenols and sulforaphane accessibility, increasing antioxidant activity, and reducing antinutritional factors. Specifically, fermentation with L. lactis and L. acidophilus increased total polyphenols from 8.5 to 10.7 mgGAE/g (milligrams of gallium acid equivalent per gram) and sulforaphane from 960.8 to 1777 μg/g (microgram per gram) but decreased the antinutritional factors oxalate and tannin. Total oxalate was reduced by 49%, while tannin was reduced by 55%–65%. The antioxidant capacity was enhanced but not the anti‐inflammation potential. Both unfermented and fermented kale protected equally against lipopolysaccharide (LPS)‐induced inflammation in RAW 264.7 macrophages and prevented increases in inducible nitric oxide synthase (iNOS), tumor necrosis factor‐alpha (TNF‐α), interleukin‐1 beta (IL‐1β), and interleukin‐6 messenger RNA (IL‐6 mRNA) expression by 84.3%, 62%, 68%, and 85.5%, respectively. Unfermented and naturally fermented kale had high proportions of sulfur reducing Desulfubrio and Proteobacteria usually associated with inflammation. Fermenting with L. lactis and/or L. acidophilus changed the bacterial proportions, reducing the Proteobacteria while increasing the genera Lactobacilli and Lactococcus. In summary, fermentation enhances the well‐known beneficial impacts of kale. Fermentation with mixed cultures of L. lactis and L. acidophilus imparts higher benefits compared to the single cultures or fermentation with native bacteria present in the vegetable.