bluuebunny/crossref_metadata_2025 huggingface dataset:
Manganese Transfer Hydrogenases Based on the Biotin‐Streptavidin Technology
Authors: Wang Weijin , Tachibana Ryo , Zou Zhi , Chen Dongping , Zhang Xiang , Lau Kelvin , Pojer Florence , Ward Thomas R. , Hu Xile
Published: September 2023

Artificial (transfer) hydrogenases have been developed for organic synthesis, but they rely on precious metals. Native hydrogenases use Earth‐abundant metals, but these cannot be applied for organic synthesis due, in part, to their substrate specificity. Herein, we report the design and development of manganese transfer hydrogenases based on the biotin‐streptavidin technology. By incorporating bio‐mimetic Mn(I) complexes into the binding cavity of streptavidin, and through chemo‐genetic optimization, we have obtained artificial enzymes that hydrogenate ketones with nearly quantitative yield and up to 98 % enantiomeric excess (ee). These enzymes exhibit broad substrate scope and high functional‐group tolerance. According to QM/MM calculations and X‐ray crystallography, the S112Y mutation, combined with the appropriate chemical structure of the Mn cofactor plays a critical role in the reactivity and enantioselectivity of the artificial metalloenzyme (ArMs). Our work highlights the potential of ArMs incorporating base‐meal cofactors for enantioselective organic synthesis.
Ontogenetic habitat shift of Anguilla marmorata and A. japonica in the rivers of southern Japan: Implications for habitat use evaluation and conservation
Authors: Kumai Yusuke , Kuroki Mari , Goto Akihiko , Takai Kazuha , Muramatsu Kanta , Yamakawa Takashi
Published: September 2023

Understanding the habitat requirements of fishes throughout their life cycle is essential for effective conservation. Despite the growing need to conserve anguillid eels, the current understanding of the ontogenetic habitat shifts during their riverine stages remains limited, particularly for the Japanese eel Anguilla japonica and the Indo‐Pacific eel Anguilla marmorata.

Here, changes in habitat use during the riverine stages of these two eel species were investigated in the southern Japan rivers, where they coexist. Eels were classified into total length (TL) classes at 10 cm intervals, and generalized additive models were constructed using these classes as an ordinal, quasi‐continuous explanatory variable.

The models showed that the habitat use of the two species changed with growth; both species shifted to deeper and more lentic habitats as they grew larger. Small‐ and mid‐sized (<25 and 25–55 cm in TL, respectively) A. japonica used more lentic habitats with smaller substrates, ranging from sand/silt to cobbles, than small‐ and mid‐sized A. marmorata, which mainly used lotic habitats with cobble and boulder substrates. However, compared with small‐sized conspecifics, mid‐sized A. japonica mainly used habitats with larger substrates, such as pebbles and cobbles, suggesting that the interspecific overlap in habitat use is relatively high for mid‐sized individuals of both species. Large A. marmorata (
85 cm) mainly used habitats with smaller substrates as they grew larger.

The results suggest that using a fine body size classification and including these classes as a quasi‐continuous explanatory variable in habitat models capture gradual changes in habitat use, improving habitat use evaluation of anguillid eels. Preserving the environmental heterogeneity of river habitats in terms of water depth, current velocity and substrate size would facilitate habitat segregation of both conspecifics and allospecifics in the same rivers, thereby promoting the conservation of anguillid eels.
The Maunakea Spectroscopic Explorer: Thousands of fibers, infinite possibilities
Authors: Sheinis Andrew , Barden Samuel C. , Sobeck Jennifer ,   the MSE Team
Published: September 2023

The Maunakea Spectroscopic Explorer (MSE) is a massively multiplexed spectroscopic survey facility that will replace the Canada–France–Hawai'i Telescope over the next two decades. This 12.5‐m telescope, with its 1.5 square degree field of view, will observe 18,000–20,000 astronomical targets in every pointing from 0.36 to 1.80 m at low/moderate resolution (R3,000, 6,000) and from 0.36 to 0.90 m at high resolution (R30,000). Parallel positioning of all fibers in the field will occur, providing simultaneous full‐field coverage for both resolution modes. Unveiling the composition and dynamics of the faint Universe, MSE will impact nearly every field of astrophysics across all spatial scales, from individual stars to the largest scale structures in the Universe, including (i) the ultimate Gaia follow‐up facility for understanding the chemistry and dynamics of the distant Milky Way, including the distant halo at high spectral resolution, (ii) the unparalleled study of galaxy formation and evolution at cosmic noon, (iii) the determination of the neutrino mass, and (iv) the generation of insights into inflationary physics through a cosmological redshift survey that probes a large volume of the Universe with a high galaxy density. Initially, CFHT will build a Pathfinder instrument to fast‐track the development of MSE technology while providing multi‐object and IFU spectroscopic capability.
Metabolic regularity of bioactive compounds in Bufei Jianpi granule in rats using ultra‐high‐performance liquid chromatography coupled with triple quadrupole mass spectrometry analysis technology
Authors: Wang Shuai , Yang Xin Xin , Li Tian Jiao , Tian Xiang Mu , Wang Ying Li , Bai Gang , Bao Yong Rui , Meng Xian Sheng
Published: September 2023

Bufei Jianpi granule (BJG) is clinically effective for treating chronic obstructive pulmonary disease (COPD). At present, there is no report regarding the drug metabolism of BJG in vivo. This work developed an ultra‐high‐performance liquid chromatography coupled with triple quadrupole mass spectrometry method with high accuracy and sensitivity to determine drug metabolism of this compound in vivo. After continuous administration of BJG, the concentrations of 10 components in rat plasma, namely betaine, peimine, peiminine, astragaloside A, sinensetin, nobiletin, naringin, calycosin, formononetin, and magnolol, were determined at different time points. Meanwhile, the pharmacokinetic parameters and metabolic rules of these 10 components were evaluated: Cmax, 8.624–574.645 ng/mL; Tmax, 0.250–8.667 h; AUC0–t, 17.640–8947.393 ng h/mL; T1/2, 3.405–66.014 h; mean residence time (MRT), 6.893–11.223 h. All these components possessed anti‐inflammatory, antioxidant, and other biological activities to varying degrees, contributing to improving lung function, mitigating pneumonia and pulmonary fibrosis, and preventing and treating chronic obstructive pulmonary disease. Exploring the pharmacokinetic parameters and the laws of chemical components in BJG forms the scientific basis for applying the compound clinically and identifying quality markers for the control of the compound.
Weighted target feature regression neural networks based soft sensing for industrial process
Authors: Guo Xiaoping , Wang Qianqian , Li Yuan
Published: September 2023

There are often nonlinear and time‐varying characteristics in industrial processes. These characteristics cause difficulty in measuring product quality online. To address these issues, a weighted target feature regression neural network (WTFAER) was proposed for soft sensor modelling in this paper. The Pearson correlation coefficient was calculated to assign corresponding weights to process variables and design a weighted objective function. A target feature regression network (TFAER) was constructed using target correlation autoencoder with fully connected layer. After that, the weighted reconstructed information was applied to the TFAER model to extract deep quality‐related features and realize feature reuse. A deep network was formed by layered stacking to fully exploit the deep features for quality prediction. To make the proposed method domain adaptive, a maximum mean squared deviation (MMD) based regularization term was introduced in the loss function. Through the simulation experiments of debutanizer column and industrial polyethylene process, and compared with stacked autoencoder (SAE), variable‐wise weighted stacked autoencoder (VW‐SAE) and stacked target‐related autoencoder (STAE) methods, the effectiveness and generalization performance of the proposed modelling method were verified.
Competing Excited‐State Hydrogen and Proton‐Transfer Processes in 6‐Azaindole‐S3,4 and 2,6‐Diazaindole‐S3,4 Clusters (S=H2O, NH3)
Authors: Baweja Simran , Kalal Bhavika , Kumar Mitra Prajoy , Maity Surajit
Published: September 2023

Excited state hydrogen (ESHT) and proton (ESPT) transfer reaction pathways in the three and four solvent clusters of 6‐azaindole (6AI‐S3,4) and 2,6‐diazaindole (26DAI‐S3,4)(S=H2O, NH3) were computationally investigated to understand the fate of photo‐excited biomolecules. The ESHT energy barriers in (H2O)3 complexes (39.6–41.3 kJmol−1) were decreased in (H2O)4 complexes (23.1–20.2 kJmol−1). Lengthening the solvent chain lowered the barrier because of the relaxed transition states geometries with reduced angular strains. Replacing the water molecule with ammonia drastically decreased the energy barriers to 21.4–21.3 kJmol−1 in (NH3)3 complexes and 8.1–9.5 kJ mol−1 in (NH3)4 complexes. The transition states were identified as Ha atom attached to the first solvent molecule. The formation of stronger hydrogen bonds in (NH3)3,4 complexes resulted in facile ESHT reaction than that in the (H2O)3,4 complexes. The ESPT energy barriers in 6AI‐S3,4 and 26DAI‐S3,4 were found to range between 40–73 kJmol−1. The above values were significantly higher than that of the ESHT processes and hence are considered as a minor channel in the process. The effect of N(2) insertion was explored for the very first time in the isolated solvent clusters using local vibrational mode analysis. In DAI‐S4, the higher Ka(Ha⋯Sa) values depicted the increased photoacidity of the N(1)‐Ha group which may facilitate the hydrogen transfer reaction. However, the increased N(6)⋯Hb bond length elevated the reaction barriers. Therefore, in the ESHT reaction channel, the co‐existence of two competing factors led to a marginal/no change in the overall energy barriers due to the N(2) insertion. In the ESPT reaction pathway, the energy barriers showed notable increase upon N(2) insertion because of the increased N(6)⋯Hb bond length.
Attachment of Hydrogen Molecules to Atomic Ions (Na+, Cl−): Examination of an Adiabatic Separation of the H2 Rotational Motion
Authors: García‐Arroyo Esther , Campos‐Martínez José , Bartolomei Massimiliano , Hernández Marta I. , Pirani Fernando , Halberstadt Nadine
Published: September 2023

Interactions between molecular hydrogen and ions are of interest in cluster science, astrochemistry and hydrogen storage. In dynamical simulations, H2 molecules are usually modelled as point particles, an approximation that can fail for anisotropic interactions. Here, we apply an adiabatic separation of the H2 rotational motion to build effective pseudoatom‐ion potentials and in turn study the properties of (H2)nNa+/Cl− clusters. These interaction potentials are based on high‐level ab initio calculations and Improved Lennard‐Jones parametrizations, while the subsequent dynamics has been performed by quantum Monte Carlo calculations. By comparisons with simulations explicitly describing the molecular rotations, it is concluded that the present adiabatic model is very adequate. Interestingly, we find differences in the cluster stabilities and coordination shells depending on the spin isomer considered (para‐ or ortho‐H2), especially for the anionic clusters.
Expression of Untagged Arrestins in E. coli and Their Purification
Authors: Vishnivetskiy Sergey A. , Zhan Xuanzhi , Gurevich Vsevolod V.
Published: September 2023

Purified arrestin proteins are necessary for biochemical, biophysical, and structural studies of these versatile regulators of cell signaling. Described herein is a basic protocol for arrestin expression in Escherichia coli and purification of tag‐free wild‐type and mutant arrestins. The method includes ammonium sulfate precipitation of arrestins from cell lysates, followed by Heparin‐Sepharose chromatography. Depending on the arrestin type and/or mutations, the next step is Q‐Sepharose or SP‐Sepharose chromatography. In many cases, the nonbinding column is used as a filter to bind contaminants without retaining arrestin. In some cases, both chromatographic steps must be performed sequentially to achieve high purity. Purified arrestins can be concentrated up to 10 mg/ml, remain fully functional, and withstand several cycles of freezing and thawing, provided that the overall salt concentration is maintained at or above physiological levels. © 2023 Wiley Periodicals LLC.

Basic Protocol: Large‐scale expression and purification of arrestins

Alternate Protocol: Purification of arrestin‐3 and truncated form of arrestin‐1‐(1‐378)

Support Protocol: Small‐scale test expression of wild‐type and mutant arrestins in E. coli
Making supply chains more sustainable through customer and consumer engagement: The case of rare metals
Authors: Marty Justine , Christopher Martin , Ageron Blandine
Published: September 2023

The dramatic growth in customer connectivity and the Internet of Things has increased the demand for rare metals, but the extraction, refining and production of these materials can be environmentally damaging. Customers and consumers, meanwhile, are increasingly concerned about sustainability and want their voices to be heard. How and by what means, can B2B companies in the IoT and nanotechnology sector, using rare metals, engage downstream actors to address sustainable challenges in the supply chain? To answer this question, we first define the terms related to rare metals and their challenges; we then review the different methods of customer and consumer engagement proposed in the literature. Secondly, through interviews with companies in the Internet of Things sector and with consumers we analyze the downstream actors' engagement in the context of rare metals through integration methods. The results propose a mapping of the different methods that enable engagement for sustainability objectives.
Batch and Flow Green Microwave‐Assisted Catalytic Conversion Of Levulinic Acid to Pyrrolidones
Authors: Calcio Gaudino Emanuela , Manzoli Maela , Testa Maria Luisa , La Parola Valeria , Grillo Giorgio , Cravotto Giancarlo , Acciardo Elisa , Tabasso Silvia
Published: September 2023

This paper reports a new sustainable protocol for the microwave‐assisted catalytic conversion of levulinic acid into N‐substituted pyrrolidones over tailor‐made mono (Pd, Au) or bimetallic (PdAu) catalysts supported on either highly mesoporous silica (HMS) or titania‐doped HMS, exploiting the advantages of dielectric heating. MW‐assisted reductive aminations of levulinic acid with several amines were first optimized in batch mode under hydrogen pressure (5 bar) in solvent‐free conditions. Good‐to‐excellent yields were recorded at 150 °C in 90 min over the PdTiHMS and PdAuTiHMS, that proved recyclable and almost completely stable after six reaction cycles. Aiming to scale‐up this protocol, a MW‐assisted flow reactor was used in combination with different green solvents. Cyclopentyl methyl ether (CPME) provided a 99 % yield of N‐(4‐methoxyphenyl) pyrrolidin‐2‐one at 150 °C over PdTiHMS. The described MW‐assisted flow synthesis proves to be a safe procedure suitable for further industrial applications, while averting the use of toxic organic solvents.
A review on evolving domains of Internet of Things: Architecture, applications, and technical challenges
Authors: Sharma Jahanvi , Sangwan Anju , Singh Rishi Pal
Published: September 2023

The Internet of Things (IoT) is a system that includes smart items with different sensors, advanced technologies, analytics, cloud servers, and other wireless devices that integrate and work together to create an intelligent environment that benefits end users. With its wide spectrum of applications, IoT is revolutionizing both the current and future generations of the Internet. IoT systems can be employed for broad‐ranging real applications, such as agriculture, the environment, cities, healthcare, and the industrial sector. In this paper, we briefly discuss the three‐tier architectural view of IoT, its different communication technologies, and the smart sensors. Moreover, we study various application areas of IoT such as the environmental domain, healthcare, agriculture, smart cities, and industrial, commercial, and general aspects. A critical analysis is shown for the existing schemes and techniques related to this work. Further, this paper addresses the basic context, tools and evaluation approaches, future scope, and the advantages and disadvantages of the aforestated IoT applications. A comprehensive analysis is provided for each domain along with its fundamental parameters like the quality of service (QoS), network longevity, scalability, energy efficiency, accuracy, and cost. Finally, this study highlights the technical challenges and open research problems existing in different IoT applications.
Non‐invasive skin autofluorescence as a screening method for diabetic retinopathy
Authors: Martínez‐García Irene , Cavero‐Redondo Iván , Álvarez‐Bueno Celia , Pascual‐Morena Carlos , Gómez‐Guijarro María Dolores , Saz‐Lara Alicia
Published: September 2023

Diabetic retinopathy (DR) is a public health problem and a common cause of blindness. It is diagnosed by fundus examination; however, this is a costly and time‐consuming method. Non‐invasive skin autofluorescence (SAF) may be an accessible, fast and simple alternative for screening and early diagnosis of DR. The aim of this study was to evaluate the accuracy of SAF as a screening method for DR. A systematic search of MEDLINE, Scopus, and Web of Science databases was performed. Random effects models for sensitivity, specificity, positive likelihood ratio (PLR) and negative likelihood ratio (NLR), diagnostic odds ratio (dOR) value and 95% CIs were used to calculate test accuracy. In addition, hierarchical summary receiver operating characteristic curves (HSROC) were used to summarise the overall test performance. Four studies were included in the meta‐analysis. Pooled sensitivity and specificity were 0.79 (95% CI 0.72–0.88; I2 = 0.0%) and 0.54 (95% CI 0.32–0.92; I2 = 97.0%), respectively. The dOR value for the diagnosis of DR using SAF was 5.11 (95% CI 1.81–14.48: I2 = 85.9%). The PRL was 2.17 (95% CI 0.62–7.64) and the NRL was 0.27 (95% CI 0.07–1.03). Heterogeneity was not relevant in sensitivity and considerable in specificity. The 95% confidence region of the HSROC included all studies. SAF as a screening test for DR shows sufficient accuracy for its use in clinical settings. SAF may be an appropriate method for DR screening, and further research is needed to recommend it as a diagnostic method.
Leaf functional diversity and environmental filtering in a tropical dry forest: Comparison between two geological substrates
Authors: Sandoval‐Granillo Valentina , Meave Jorge A.
Published: September 2023

The role of geological substrate in shaping plant community functional diversity remains poorly understood. Considering the involvement of leaves in the energy, water, and nutrient economics of plants, we hypothesized that leaves experience geology‐related filtering, which in turn shapes their functional attributes and community leaf functional diversity on different substrates. We studied tropical dry forest communities on limestone and siliciclastic phyllite‐derived soils, comparing their functional diversity and soil physico‐chemical properties. We predicted the most benign habitat (less severe filter) to be associated with higher leaf functional diversity and an acquisitive strategy prevalence, while the more stressful habitat should show conservative leaf traits and lower leaf functional diversity. We measured six traits in 31 common tree species (representing ~80% of community crown cover): leaf area, specific leaf area, leaf thickness, leaf dry matter content, petiole length, and leaf blade narrowness. Leaf functional diversity was assessed through the functional trait dispersion metric. Intraspecific functional variation was examined in 25 species shared between substrates. The limestone substrate was more fertile (higher phosphorous) with higher water retention, while phyllite had higher nitrogen and lower humidity. Principal component analysis segregated plots by substrate, with limestone plots being more clustered. Community leaf functional diversity was higher in the limestone forest. Most species examined showed inter‐substrate trait differences in at least one leaf functional trait. The two substrates constituted distinct growth environments, with the more benign substrate associated with higher community leaf functional diversity. The intraspecific analysis revealed the prevalence of acquisitive traits in the more benign and more conservative traits in the more stressful habitat. This study advances our understanding of the role of geological substrate as an environmental filter in tropical dry forests, influencing leaf functional responses and emphasizing the importance of intraspecific functional variation.
Integrating forest structural diversity measurement into ecological research
Authors: Atkins Jeff W. , Bhatt Parth , Carrasco Luis , Francis Emily , Garabedian James E. , Hakkenberg Christopher R. , Hardiman Brady S. , Jung Jinha , Koirala Anil , LaRue Elizabeth A. , Oh Sungchan , Shao Gang , Shao Guofan , Shugart H. H. , Spiers Anna , Stovall Atticus E. L. , Surasinghe Thilina D. , Tai Xiaonan , Zhai Lu , Zhang Tao , Krause Keith
Published: September 2023

The measurement of forest structure has evolved steadily due to advances in technology, methodology, and theory. Such advances have greatly increased our capacity to describe key forest structural elements and resulted in a range of measurement approaches from traditional analog tools such as measurement tapes to highly derived and computationally intensive methods such as advanced remote sensing tools (e.g., lidar, radar). This assortment of measurement approaches results in structural metrics unique to each method, with the caveat that metrics may be biased or constrained by the measurement approach taken. While forest structural diversity (FSD) metrics foster novel research opportunities, understanding how they are measured or derived, limitations of the measurement approach taken, as well as their biological interpretation is crucial for proper application. We review the measurement of forest structure and structural diversity—an umbrella term that includes quantification of the distribution of functional and biotic components of forests. We consider how and where these approaches can be used, the role of technology in measuring structure, how measurement impacts extend beyond research, and current limitations and potential opportunities for future research.
Comorbidities and clinical response to cardiac resynchronization therapy: Patient‐level meta‐analysis from eight clinical trials
Authors: Fudim Marat , Dalgaard Frederik , Friedman Daniel J. , Abraham William T. , Cleland John G.F. , Curtis Anne B. , Gold Michael R. , Kutyifa Valentina , Linde Cecilia , Ali‐Ahmed Fatima , Tang Anthony , Olivas‐Martinez Antonio , Inoue Lurdes Y.T. , Al‐Khatib Sana M. , Sanders Gillian D.
Published: September 2023

Aims

Patients with heart failure usually have several other medical conditions that might alter the effects of interventions. We investigated whether the burden of comorbidity modified the clinical response to cardiac resynchronization therapy (CRT).

Methods and results

Original patient‐level data from eight randomized trials exploring the effects of CRT versus no CRT were pooled (BLOCK‐HF, MIRACLE, MIRACLE‐ICD, MIRACLE‐ICD II, RAFT, COMPANION, MADIT‐CRT and REVERSE). A prior history of the following comorbidities was considered: episodic or persistent atrial fibrillation (n = 920), coronary artery disease (n = 3732), diabetes (n = 2171), and hypertension (n = 3353). Patients were classified into three groups based on the number of comorbidities: 0, 1–2, or ≥3. The outcomes of interest were time to all‐cause mortality and time to the composite outcome of heart failure hospitalization (HFH) or all‐cause mortality. Outcomes were evaluated within each comorbidity group using a Bayesian hierarchical Weibull survival regression model. Of 6324 patients, 970 (15%) had no comorbidities, 4052 (64%) had 1–2 and 1302 (21%) had ≥3 comorbidities. The adjusted hazard ratio (aHR) for CRT versus no CRT for all‐cause mortality in the overall cohort was 0.79 (95% credible interval [CI] 0.68–0.93) (p = 0.010); for no comorbidities the aHR was 0.54 (95% CI 0.34–0.86), for 1–2 comorbidities was 0.81 (95% CI 0.67–0.97) and for ≥3 comorbidities was 0.83 (95% CI 0.64–1.07) (no significant interaction between CRT and comorbidity burden: p = 0.13). For the endpoint of HFH or all‐cause mortality, the aHR for the overall cohort was 0.74 (95% CI 0.65–0.84) (p = 0.001), for no comorbidities was 0.69 (95% CI 0.50–0.94), for 1–2 comorbidities was 0.77 (95% CI 0.66–0.90) and for ≥3 comorbidities was 0.68 (95% CI 0.55–0.82) (no significant interaction between CRT and comorbidity burden: p = 0.081).

Conclusion

In a meta‐analysis of patient‐level data from eight major trials, the totality of evidence suggests that CRT reduces HFH and/or all‐cause mortality even when several comorbid diseases are present.

Clinical Trial Registration: NCT00271154, NCT00251251, NCT00267098, NCT00180271.
Epimerization of trans‐Cycloalkenes with the X−C=C−SeR*‐Unit – The Steric Demand of X=H, F, Cl, Br, I, Me, Et and CF3
Authors: Poleschner Helmut , Heydenreich Matthias , Achazi Andreas J.
Published: September 2023

Trans‐cycloalkenes with the X−C=C−SeR*‐unit and ring sizes from 9 to 20 have been synthesized. R* bonding the selenium atom is the chiral (S)‐o‐(1‐Methoxypropyl)phenyl‐moiety, and X=H, F, Cl, Br, I, Me, Et and CF3. The planar‐chiral trans‐cycloalkenes in combination with the chiral residue R* exist as two diastereomers. These can be distinguished in principle by NMR spectroscopy. Here, we have studied the epimerization of the trans‐cycloalkenes, i. e., the 180° rotation of the X−C=C‐unit through the cavity of the ring. The measurements were done with variable temperature 13C NMR spectroscopy within the range from −110 to 140 °C. The obtained values of the Gibbs energy of activation ΔG≠C depend strongly on the ring size. Furthermore, the ΔG≠C values show dramatic steric effects due to the groups X. The steric requirement of X increases in the series H≪F≪Cl<Me<Br<I<Et<CF3. Here, F is significantly larger than H, and CF3 is larger than Et. The corresponding iPr‐compounds could not be synthesized. The transition state structures of the ring inversion for ring sizes 8–20 were calculated at the DFT level of theory.
A review of the nutritional guidance for athletes to prevent eating disorders
Authors: Hilling Jonathan Jesse , Robertson Claire
Published: September 2023

Since the 1980s eating disorders (ED) have gained increasing prevalence, with athletes proving to be at a higher risk compared to non‐athletes. Eating disorders can significantly impact the health and performance of an athlete, however, certain guidelines are in place for prevention, treatment and management. NICE and UK Sport were two guidelines that were identified as being referenced within the UK. This paper aimed to evaluate their utility and establish whether modifications are required to prevent ED within athletic populations. A checklist was created based on peer‐reviewed recommendations and used in conjunction with conceptualised case studies based on information sourced from proposed key informant interviews. Whilst both guidelines are extensive in the identification of symptoms associated with ED, they lack recognised recommended screening methods. Furthermore, although both contain some form of validated treatment, NICE recommends cognitive behavioural therapy despite acknowledging the lack of evidence supporting its beneficial application. In contrast to recommendations regarding physical therapy, NICE also states to avoid certain treatments, such as yoga, despite beneficial evidence of its treatment/rehabilitation for ED. When applied to case studies, both guidelines demonstrated the need for refinement and improvement in recommendations relating to weight loss and screening methods. To form an accurate critique of the guidelines, an assessment of their applicability and suitability in the prevention, treatment and management of ED in a practical sporting environment involving consenting participants is required.
Orthorexia nervosa versus healthy orthorexia: Anxiety, perfectionism, and mindfulness as risk and preventative factors of distress
Authors: Barlow Isabella Uma , Lee Eunro , Saling Lauren
Published: September 2023

Background

Orthorexia nervosa is a recently conceptualised pathological entity presenting as an obsessive focus on healthy eating with associated psychosocial impairment.

Aims

The present study investigated the differential associations between orthorexia nervosa and healthy orthorexia with distress and impairment.

Materials & Methods

With a community sample (N = 268) multiple measures of orthorexia nervosa and health orthorexia were compared as explanatory variables in mediation structural equation modelling (SEM). Outcome variables assessed and investigated were psychological distress while demographic variables were controlled. The mediating roles of perfectionism and health anxiety on orthorexia nervosa were examined with further preventative mediation role of mindfulness on distress.

Results

Distinctive to other eating disorders, gender showed no significant effects on orthorexia nervosa and healthy orthorexia. Signalling measurement issues for this disorder, the different measures of orthorexia nervosa resulted in mixed findings regarding body mass index and age. Findings supported perfectionism and health anxiety as risk factors, as well as mindfulness acceptance as a preventative factor in both orthorexia nervosa and healthy orthorexia. Orthorexia nervosa and healthy orthorexia assessed by most measures, contrary to the expectations, had significant positive associations with psychological distress indicated by stress, anxiety, and depression.

Discussion & Conclusion

The complexity in differentiating orthorexia nervosa from healthy orthorexia calls for further investigation. This research effort should serve to substantiate the status of orthorexia nervosa as a distinct clinical disorder.
Volatility forecasting with an extended GARCH‐MIDAS approach
Authors: Li Xiongying , Ye Cheng , Bhuiyan Miraj Ahmed , Huang Shuiren
Published: September 2023

This paper uses the generalized autoregressive conditional heteroscedasticity mixing data sampling (GARCH‐MIDAS) model to construct three types of extended models. Geopolitical risk uncertainty is included in the study as an introduced variable, and its impact on the Shanghai Stock Exchange (SSE) 50 index volatility is analyzed. The empirical analysis shows that the GARCH‐MIDAS‐RV‐EPU model with China's EPU is the best in predicting the volatility of China's stock market when the information of economic policy uncertainty (EPU) and geopolitical risk uncertainty (GPR) of other countries are included. When the common information model composed of China's economic policy uncertainty index and geopolitical uncertainty index is used to predict the volatility of the SSE, the model's prediction is better. Finally, when the model confidence set (MCS) and the interval length index that changes the forecast outside the sample are used to retest each conclusion, the results are very robust.
A Bayesian realized threshold measurement GARCH framework for financial tail risk forecasting
Authors: Wang Chao , Gerlach Richard
Published: September 2023

This paper proposes an innovative threshold measurement equation to be employed in a Realized‐Generalized Autoregressive Conditional Heteroskedastic (GARCH) framework. The proposed framework incorporates a nonlinear threshold regression specification to consider the leverage effect and model the contemporaneous dependence between the observed realized measure and hidden volatility. A Bayesian Markov chain Monte Carlo method is adapted and employed for model estimation, with its validity assessed via a simulation study. The validity of incorporating the proposed measurement equation in Realized‐GARCH type models is evaluated via an empirical study, forecasting the 1% and 2.5% Value‐at‐Risk and expected shortfall on six market indices with two different out‐of‐sample sizes. The proposed framework is shown to be capable of producing competitive tail risk forecasting results in comparison with the GARCH and Realized‐GARCH type models.
Recent advances in the treatment and prevention of peripheral neuropathy after multiple myeloma treatment
Authors: Wen Dan , Cao Song , Feng Yonghuai
Published: September 2023

The incidence of multiple myeloma (MM) is increasing year by year, requiring chemotherapy drugs to control the condition. With the advent of new proteasome inhibitors, immunomodulators, and monoclonal antibodies, the prognosis of patients has improved significantly. However, peripheral neuropathy caused by drugs limits the dose and duration of treatment, which seriously affects patients' quality of life and treatment outcome. Although the neuropathies induced by chemotherapy drugs have attracted much attention, their mechanism and effective prevention and treatment measures are not clear. Therefore, how to alleviate peripheral neuropathy caused by drugs for treatment of MM is a key issue in improving patients' quality of life and prolonging their survival time, which have some clinical value. In this paper, we review the current research on the pathogenesis, pharmacological and nonpharmacological treatment, and prevention, which expects to present instruction for peripheral neuropathy after treatment of MM.
An empirical analysis of US land‐use change under multiple climate change scenarios
Authors: Mihiar Christopher M. , Lewis David J.
Published: September 2023

This study empirically estimates the effects of climate on land‐use change across the conterminous United States and uses the empirical model to simulate the effects of a range of future climate change scenarios on the allocation of land to forestry, agriculture, and development. Ricardian estimation linking climate with the net returns to land production is integrated with a discrete‐choice estimation of plot‐level land‐use change. Comparing projected land‐use changes across scenarios, we find that drier and warmer climate scenarios favor forest land, wetter and cooler climate scenarios favor developed land, and wetter and warmer climate scenarios favor crop lands.
P7C3 Ameliorates Bone Loss by Inhibiting Osteoclast Differentiation and Promoting Osteogenesis
Authors: Tian Bo , Bai Jinyu , Sheng Lei , Chen Hao , Chang Wenju , Zhang Yue , Yao Chenlu , Zhou Chenmeng , Wang Xiaoyu , Shan Huajian , Dong Qirong , Wang Chao , Zhou Xiaozhong
Published: September 2023

Bone homeostasis, the equilibrium between bone resorption and formation, is essential for maintaining healthy bone tissue in adult humans. Disruptions of this process can lead to pathological conditions such as osteoporosis. Dual‐targeted agents, capable of inhibiting excessive bone resorption and stimulating bone formation, are being explored as a promising strategy for developing new treatments to address osteoporosis. In this study, we investigated the effects of P7C3 on bone remodeling and its potential therapeutic role in osteoporosis treatment in mice. Specifically, P7C3 can remarkably suppress receptor activator of nuclear factor‐κB (NF‐κB) ligand (RANKL)‐induced osteoclast differentiation in bone marrow macrophages via the Akt‐NF‐κB‐NFATc1 signaling pathway. Additionally, RNA sequencing (RNAseq) analysis revealed that P7C3 promoted osteoblast differentiation and function through the Wnt/β‐catenin signaling pathway, thereby enhancing bone formation. Furthermore, μCT analysis and histological examination of bone tissues from P7C3‐treated mice showed attenuation of both Ti‐induced bone erosion and ovariectomy (OVX)‐induced bone loss. These findings suggest that P7C3 may have a novel function in bone remodeling and may be a promising therapeutic agent for the treatment of osteoporosis. © 2023 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
On the aromaticity and stability of benzynes in the ground and lowest‐lying triplet excited states
Authors: Báez‐Grez Rodrigo , Pino‐Rios Ricardo
Published: September 2023

In this work, we have revisited the aromaticity of benzyne isomers at the unrestricted density functional theory level (UDFT) using the energetic, magnetic, and delocalization criteria. In addition, this last criterion has also been analyzed employing complete active space (CASSCF) calculations. The results show conservation of aromaticity in these monocycles. Additionally it is observed that this trend is maintained in polycyclic aromatic hydrocarbon derivatives such as biradical didehydrophenanthrenes. Do these results imply a violation of Baird's rule? The answer is No, because this conservation in aromaticity is due to the loss of hydrogen atoms affects only the electronic σ skeleton and exerts a minor influence on the π cloud. Additionally, we have analyzed the relative stability of benzyne isomers and their relationship with experimental ΔES‐T values. According to the literature, the stability of the benzynes in the singlet state is due to an effective interaction between the electrons of the biradical centers; however, this effect is completely reversed in the triplet state, which explains why the para isomer has the lowest ΔES‐T gap.
Uncontrollability of suicidal ideation adds incremental explanatory power in prediction of later suicidal ideation
Authors: Udupa Nikhila S. , Hanson Jetta , Gutierrez Peter M. , Mandel Abby A. , Johnson Sheri L. , Kleiman Evan , Bryan Craig J. , Jobes David A. , Joiner Thomas
Published: September 2023

Objective

Suicidal ideation and suicidal behaviors are major public health concerns in the United States and are difficult to treat and predict. Risk factors that are incrementally informative are needed to improve prediction and inform prevention of suicidal thoughts and behaviors. Uncontrollability of suicidal ideation, one parameter of suicidal ideation, is one such candidate.

Method

In the current study, we assessed the predictive power of uncontrollability of suicidal ideation, over and above overall suicidal ideation, for future suicidal ideation in a large sample of active‐duty service members. A total of 1044 suicidal military service members completed baseline assessments, of whom 664 (63.6%) completed 3‐month follow‐up assessments.

Results

While baseline overall suicidal ideation itself was the strongest predictor of future suicidal ideation, uncontrollability of suicidal ideation added some incremental explanatory power.

Conclusion

Further study of uncontrollability of suicidal thought is needed to elucidate its impact on suicidal outcomes.
A Bioartificial Pancreas with “Immune Stealth” and Continuous Oxygen Supply for Islet Transplantation
Authors: Zheng Yin , Yang Wenyi , Gao Weisong , Zhang Xinge , Wu Zhongming , Wang Mo
Published: September 2023

Transplantation of microencapsulated islet cells remains a promising strategy for the normalization of glucose metabolism control in type 1 diabetes mellitus. However, vigorous host immunologic rejection, fibrotic overgrowth around the microcapsules, and poor oxygen supply often lead to graft failure. Herein, a bioartificial pancreas is constructed, which incorporates the “stealth effect” based on polyethylene glycol copolymers and the high oxygen‐carrying performance of fluorinated nanoparticles. Polycationic poly(l‐lysine)‐grafted‐poly(ethylene glycol) is successfully coated on the surface of alginate microcapsules through electrostatic interaction, which can not only resist fibrinogen adhesion and avoid excessive fibrosis around the microcapsules but also isolate the host immune system from attacking, achieving a “stealth effect” of microencapsulated islet cells. Furthermore, the coloading of fluoride‐based O2 nanocarriers gives them enhanced oxygen‐carrying and continuous oxygen supply capabilities, thereby effectively prolonging the survival of islet cells. The intracapsular islet cells still display similar cell viability and almost normal insulin secretion function even in long‐term culture under hypoxic conditions. Collectively, here a new approach is opened for microencapsulated islets to efficiently evade host immune attack and improve oxygen supply and a promising strategy is provided for islet transplantation in type 1 diabetes mellitus.
Role of Extracellular Vesicles in Absorption and Functional Mechanisms of Quercetin
Authors: Ishisaka Akari , Sugimoto Ryosuke , Marumo Haruka , Doi Tomoki , Hamada Kaede , Fujimoto Misa , Fujiwara Nao , Yamasaki Masao , Murakami Akira
Published: September 2023

Scope

Quercetin (QUE), a phytochemical found in various plant foods, has been shown to have a variety of physiological activities in vivo, though biological sites where it has activities and the mechanisms of transport have not been fully elucidated.

Methods and results

In the present study, intracellular uptake of QUE into HT‐29 human colon adenocarcinoma cells is found to result in spontaneous release of extracellular vesicles (EVs), which are subsequently embedded with QUE. In addition, QUE‐embedded EVs are detected in serum of QUE‐administered Sprague‐Dawley rats. Interestingly, the rate of cellular uptake of QUE‐encapsulated EVs (EV‐QUE) into RAW264.7 macrophages is markedly higher than that of free QUE. Moreover, EV‐QUE suppresses lipopolysaccharide (LPS)‐induced nitric oxide at a lower concentration than free QUE.

Conclusion

The present findings suggest that QUE may be embedded in EVs in the gastrointestinal tract, then become absorbed and enter the bloodstream to exhibit biological activities.
Spectral performance of two split‐filter dual‐energy CT systems: A phantom study
Authors: Greffier Joël , Van Ngoc Ty Claire , Fitton Isabelle , Frandon Julien , Beregi Jean‐Paul , Dabli Djamel
Published: September 2023

Background

Recently, a second generation of split filter dual‐energy CT (SFCT) platform has been developed. The thicknesses of the gold and tin filters used to obtain both low‐ and high‐energy spectra have been changed. These differences in filter thickness may affect the spectral separation between the two spectra and thus the quality of spectral images.

Purpose

To compare the spectral performance of two Split‐Filter Dual‐Energy CT systems (SFCT‐1st and SFCT‐2nd) on virtual monoenergetic images (VMIs) and iodine map.

Methods

A Multi‐Energy CT phantom was scanned on two SFCT with a tube voltage of 120 kVp for both systems (SFCT‐1st‐120 and SFCT‐2nd‐120) and 140 kVp only for the second generation (SFCT‐2nd‐140). Acquisitions were performed on the phantom with a CTDIvol close to 11 mGy. Noise power spectrum (NPS) and task‐based transfer function (TTF) were evaluated on VMIs from 40 to 70 keV. A detectability index (d’) was computed to assess the detection of two contrast‐enhanced lesions on VMIs. Hounsfield Unit (HU) accuracy was assessed on VMIs and the accuracy of iodine concentration was assessed on iodine maps.

Results

For all keV, noise magnitude values were lower with the SFCT‐2nd‐120 than with the SFCT‐1st‐120 (on average: ‐22.5 ± 2.9%) and higher with the SFCT‐2nd‐140 than with the SFCT‐2nd‐120 (on average: 25.0 ± 6.2%). Average NPS spatial frequencies (fav) were lower with the SFCT‐1st‐120 than with the SFCT‐2nd‐120 (‐6.0 ± 0.5%) and the SFCT‐2nd‐140 (‐3.6 ± 1.6%). Similar TTF50% values were found for both systems and both kVp for blood and iodine inserts at 2 mg/mL (0.29 ± 0.01 mm−1) and at 4 mg/mL (0.31 ± 0.01 mm−1). d’ values peaked at 40 keV for the SFCT‐2nd and at 70 keV for the SFCT‐1st. Highest d’ values were found for the SFCT‐2nd‐120 for both simulated lesions. Accuracy of HU values and iodine concentration was higher with the SFCT‐2nd than with the SFCT 1st.

Conclusion

Compared to the SFCT‐1st, with similar spatial resolution and noise texture values, the SFCT‐2nd‐120 exhibited the lowest values for noise magnitude, the highest detectability index values, and more accurate HU values and iodine concentrations.
Fast deep learning reconstruction techniques for preclinical magnetic resonance fingerprinting
Authors: Cabini Raffaella Fiamma , Barzaghi Leonardo , Cicolari Davide , Arosio Paolo , Carrazza Stefano , Figini Silvia , Filibian Marta , Gazzano Andrea , Krause Rolf , Mariani Manuel , Peviani Marco , Pichiecchio Anna , Pizzagalli Diego Ulisse , Lascialfari Alessandro
Published: September 2023

We propose a deep learning (DL) model and a hyperparameter optimization strategy to reconstruct T1 and T2 maps acquired with the magnetic resonance fingerprinting (MRF) methodology. We applied two different MRF sequence routines to acquire images of ex vivo rat brain phantoms using a 7‐T preclinical scanner. Subsequently, the DL model was trained using experimental data, completely excluding the use of any theoretical MRI signal simulator. The best combination of the DL parameters was implemented by an automatic hyperparameter optimization strategy, whose key aspect is to include all the parameters to the fit, allowing the simultaneous optimization of the neural network architecture, the structure of the DL model, and the supervised learning algorithm. By comparing the reconstruction performances of the DL technique with those achieved from the traditional dictionary‐based method on an independent dataset, the DL approach was shown to reduce the mean percentage relative error by a factor of 3 for T1 and by a factor of 2 for T2, and to improve the computational time by at least a factor of 37. Furthermore, the proposed DL method enables maintaining comparable reconstruction performance, even with a lower number of MRF images and a reduced k‐space sampling percentage, with respect to the dictionary‐based method. Our results suggest that the proposed DL methodology may offer an improvement in reconstruction accuracy, as well as speeding up MRF for preclinical, and in prospective clinical, investigations.
Dimensional reduction for parametric projection‐based reduced‐order models in crash
Authors: Lesjak Mathias , Duddeck Fabian
Published: September 2023

Modern car development regarding passive safety strongly relies on finite element simulations. Many simulations are required to assess the behavior of the design regarding minor parameter variations that occur naturally in hardware tests. This avoids costly revisions later in the design process when the first hardware tests are conducted. However, due to the immense computational costs, multiquery analyses such as robustness studies, optimization, and uncertainty quantification are currently not feasible for large simulation models. Reduced‐order modeling uses already generated data to accelerate future simulations. Using a data‐driven method, a low‐rank structure can be identified. The generated mapping subsequently expresses the governing equations regarding the reduced variables. Projection‐based model order reduction (MOR) is therefore physics‐based and has no black‐box character as classical machine learning models. The accuracy of the reduced‐order model (ROM) heavily relies on the dimensional reduction. Currently, proper orthogonal decompositionis most commonly used. However, this linear method is variance‐based and nonlinear correlation cannot be resolved requiring more dimensions in the approximation. Effective hyperreduction depends on the dimension of the ROM. Hence, we provide an overview of different strategies for parametric MOR in the context of highly nonlinear solid dynamics, discussing potential benefits and drawbacks. We show a successful application of the local reduced‐order bases approach to a crash problem and present first results of an autoencoder that is a nonlinear‐dimensional reduction.