bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and Antiallodynic Activity of Cannabidiol Analogue on Peripheral Neuropathy in Mice
Authors: Marques Gabriel V. L. , Braga Alysson V. , Silva Iara R. , de Souza Adna R. B. , Kohlhoff Markus , César Isabela C. , Machado Renes R. , Oliveira Renata B.
Published: February 2024

Cannabidiol (CBD) is a substance that exerts several therapeutic actions, including analgesia. CBD is generally administered orally, but its poor water solubility and metabolism impair its bioavailability. Thus, the development of molecules with better pharmacokinetic profile from cannabidiol becomes an interesting strategy for the design of novel analgesic drugs for the relief of painful conditions that are difficult to manage clinically, such as neuropathic pain. In the present study, an unprecedented analogue of CBD (1) was synthesized and some of its physicochemical properties were evaluated in silico as well as its stability in an acid medium. Additionally, its effect was investigated in a model of neuropathic pain induced by the chemotherapy drug paclitaxel in mice, in comparison with cannabidiol itself. Cannabidiol (20 mg/kg), pregabalin (30 mg/kg), or analogue 1 (5, 10, and 20 mg/kg), administered on the 14th day after the first administration of paclitaxel, attenuated the mechanical allodynia of the sensitized animals. The antinociceptive activity of analogue 1 was attenuated by previous administration of a cannabinoid CB1 receptor antagonist, AM 251, which indicates that its mechanism of action is related to the activation of CB1 receptors. In conclusion, the CBD analogue 1 developed in this study shows great potential to be used in the treatment of neuropathic pain.
Synthesis, Kinetics and Computational Explorations of 4‐Phenylpiperazine Bearing N‐(Aryl)‐3‐substituted‐benzamides as Auspicious Tyrosinase Inhibitors
Authors: Zeb Aurang , Abbasi Muhammad Athar , Aziz‐ur‐Rehman  , Siddiqui Sabahat Zahra , Hassan Mubashir , Javed Qamar , Rafiq Muhammad , Ali Anser , Shah Syed Adnan Ali , Kloczkowski Andrzej
Published: February 2024

In the aimed research study, a new series of N‐(aryl)‐3‐[(4‐phenyl‐1‐piperazinyl)methyl]benzamides was synthesized, which was envisaged as tyrosinase inhibitor. The structures of these newly designed molecules were verified by IR, 1H‐NMR, 13C‐NMR, EI‐MS and CHN analysis data. These molecules were screened against tyrosinase and their inhibitory activity explored that these 3‐substituted‐benzamides exhibit good to excellent potential, comparative to the standard. The Kinetics mechanism was investigated through Lineweaver‐Burk plots which depicted that molecules inhibited this enzyme in a competitive mode. Moreover, molecular docking was also performed to determine the binding interaction of all synthesized molecules (ligands) with the active site of tyrosinase enzyme and the results showed that most of the ligands exhibited efficient binding energy values. Therefore, it is anticipated that these molecules might serve as auspicious therapeutic scaffolds for treatment of the tyrosinase associated skin disorders.
Sesquiterpenoids and Cytochalasins with Immunosuppressive Activity from Sonchus wightianus
Authors: Xie Zhi‐Xiang , Cui Yong‐Sheng , Liu Xi‐Hong , Yao Jia‐Ying , He Shi‐Jun , Zhou Bin , Yue Jian‐Min
Published: February 2024

The plant species, Sonchus wightianus DC., was historically used in China for both medicinal and dietary uses. In present study, seven new guaiane sesquiterpenoids (1–7) and one cytochalasin (8), along with five known guaianes (9–13) and two known cytochalasins (14 and 15), were isolated from the whole plants of S. wightianus. These guaianes showed structural variations in the substituents at C‐8 and/or C‐15, and compounds 6 and 7 are two sesquiterpenoid glycoside derivatives. Their structures were determined by extensive analysis of spectroscopic, electronic circular dichroism, and X‐ray diffraction data, and chemical method. Biological tests revealed that compounds 5 and 8 are potent and selective immunosuppressive reagents.
Synergistic Effects of Silica‐Supported Iron−Cobalt Catalysts for CO2 Reduction to Prebiotic Organics
Authors: Belthle Kendra S. , Martin William F. , Tüysüz Harun
Published: February 2024

To test the ability of geochemical surfaces in serpentinizing hydrothermal systems to catalyze reactions from which metabolism arose, we investigated H2‐dependent CO2 reduction toward metabolic intermediates over silica‐supported Co−Fe catalysts. Supported catalysts converted CO2 to various products at 180 °C and 2.0 MPa. The liquid product phase included formate, acetate, and ethanol, while the gaseous product phase consisted of CH4, CO, methanol, and C2−C7 linear hydrocarbons. The 1/1 ratio CoFe alloy with the same composition as the natural mineral wairauite yielded the highest concentrations of formate (6.0 mM) and acetate (0.8 mM), which are key intermediates in the acetyl‐coenzyme A (acetyl‐CoA) pathway of CO2 fixation. While Co‐rich catalysts were proficient at hydrogenation, yielding mostly CH4, Fe‐rich catalysts favored the formation of CO and methanol. Mechanistic studies indicated intermediate hydrogenation and C−C coupling activities of alloyed CoFe, in contrast to physical mixtures of both metals. Co in the active site of Co−Fe catalysts performed a similar reaction as tetrapyrrole‐coordinated Co in the corrinoid iron‐sulfur (CoFeS) methyl transferase in the acetyl‐CoA pathway. In a temperature range characteristic for deeper regions of serpentinizing systems, oxygenate product formation was favored at lower, more biocompatible temperatures.
Influence of Defects and Charges on the Colloidal Stabilization of Graphene in Water
Authors: Vita Damasceno João Paulo , Picheau Emmanuel , Hof Ferdinand , Zarbin Aldo J. G. , Pénicaud Alain , Drummond Carlos
Published: February 2024

Mastering graphene preparation is an essential step to its integration into practical applications. For large‐scale purposes, full graphite exfoliation appears as a suitable route for graphene production. However, it requires overpowering attractive van der Waals forces demanding large energy input, with the risk of introducing defects in the material. This difficulty can be overcome by using graphite intercalation compounds (GICs) as starting material. The greater inter‐sheet separation in GICs (compared with graphite) allows the gentler exfoliation of soluble graphenide (reduced graphene) flakes. A solvent exchange strategy, accompanied by the oxidation of graphenide to graphene, can be implemented to produce stable aqueous graphene dispersions (Eau de graphene, EdG), which can be readily incorporated into many processes or materials. In this work, we prove that electrostatic forces are responsible for the stability of fully exfoliated graphene in water, and explore the influence of the oxidation and solvent exchange procedures on the quality and stability of EdG. We show that the amount of defects in graphene is limited if graphenide oxidation is carried out before exposing the material to water, and that gas removal of water before the incorporation of pre‐oxidized graphene is advantageous for the long‐term stability of EdG.
Expanding Chemical Frontiers: Approaches for Generating Diverse and Bioactive Natural Product‐Like Compounds Libraries from Extracts
Authors: Beato Aurélien , Haudecoeur Romain , Boucherle Benjamin , Peuchmaur Marine
Published: February 2024

The realms of natural products and synthetic compounds exhibit distinct chemical spaces that not only differ but also complement each other. While the convergence of these two domains has been explored through semisynthesis and conventional pharmacomodulation endeavours applied to natural frameworks, a recent and innovative approach has emerged that involves the combinatorial generation of libraries of ‘natural product‐like compounds’ (NPLCs) through the direct synthetic derivatization of natural extracts. This has led to the production of numerous NPLCs that incorporate structural elements from both their natural (multiple saturated rings, oxygen content, chiral centres) and synthetic (aromatic rings, nitrogen and halogen content, drug‐like properties) precursors. Through careful selection of extracts and reagents, specific bioactivities have been achieved, and this strategy has been deployed in various ways, showing great promise without reaching its full potential to date. This review seeks to provide an overview of reported examples involving the chemical engineering of extracts, showcasing a spectrum of natural product alterations spanning from simple substitutions to complete scaffold remodelling. It also includes an analysis of the accomplishments, perspectives and technical challenges within this field.
Microfluidic devices, materials, and recent progress for petroleum applications: A review
Authors: Betancur Stefanía , Quevedo Lina , Olmos Carol M.
Published: February 2024

Microfluidic devices are miniaturized systems that manipulate fluids on a small scale, typically at microlitre or nanolitre volumes. They have received significant attention in various industries, including petroleum applications. The recent advancements in microfluidic devices for petroleum applications have the potential to improve oil recovery efficiency, reduce costs, and provide valuable insights into fluid behaviour and reservoir characterization. This paper aims to provide a comprehensive overview of microfluidic devices, their materials, and their applications in the petroleum industry. The first section of the paper focuses on describing the materials used in microfluidic devices specifically tailored for energy sector applications. In the second section, the paper highlights relevant applications and discoveries in petroleum research, showcasing the innovative techniques and special features enabled by microfluidic devices. These applications include but are not limited to asphaltenes characterization, enhanced oil recovery (EOR), and water treatment. The versatility and customization of microfluidic devices have allowed researchers to accurately represent fractures, ensure chemical conformance, simulate high pressure–high temperature conditions and reservoir heterogeneity, and study geochemical interaction. Additionally, molecular tagging and machine learning techniques have been employed for image analysis, further enhancing the capabilities of microfluidic devices. Throughout the paper, the advantages and disadvantages of implementing microfluidic devices and utilizing specific materials are thoroughly discussed. This analysis provides valuable insights into the challenges and potential limitations associated with this technology. To conclude, the paper offers suggestions, ideas, and highlights for future research paths, pointing toward promising directions for further exploration in this field.
Dual Stabilization of a Tri‐Metallofullerene Radical Er3@C80: Exohedral Derivatization and Endohedral Three‐Center Bonding
Authors: Wu Yabei , Zhou Zhonghao , Xu Dan , Jiang Yuhang , Zhou Dingyi , Wang Zhiyong
Published: February 2024

The enclosed space within fullerene molecules, capable of trapping metal clusters, offers an opportunity to investigate the behavior of metal atoms in a highly confined sub‐nanometer environment. However, the studies on trimetallofullerenes M3@C80 have been very limited due to their difficult obtainability. In this paper, we present a new method for obtaining a tri‐metallofullerene Er3@C80 through exohedral modification of the fullerene cage. Our findings reveal that Er3@C80 exhibits a radical character and can react with the dichlorobenzene radical to generate a stable derivative Er3@C80PhCl2. Theoretical calculations demonstrate the presence of a three‐center two‐electron metal‐metal bond in the center of the fullerene cage. This bond serves to counterbalance the Coulomb repulsion between the Er ions. Consequently, both exohedral derivatization and endohedral three‐center bonding contribute to the substantial stability of Er3@C80PhCl2. Furthermore, molecular dynamics simulations indicate that the Er3 cluster within the molecule possesses a rigid triangle structure. The availability of M3@C80 derivatives opens avenues for future investigations into interactions among metal atoms, such as magnetic coupling, within fullerene cages.
A Theoretical‐Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature
Authors: Nardi Alessandro Nicola , Olivieri Alessio , D'Abramo Marco , Amadei Andrea
Published: February 2024

The hydrolysis of the phosphodiester bond is an important chemical reaction involved in several biological processes. Here, we study the cleavage of this bond by means of a theoretical‐computational method in a model system, the dineopentyl phosphate. By such an approach, we reconstructed the kinetics and related thermodynamics of this chemical reaction along an isochore. In particular, we evaluated the kinetic constants of all the reaction steps within a wide range of temperatures, mostly corresponding to conditions where no experimental measures are available due to the extremely slow kinetics. Our results, in good agreement with the experimental data, show the robustness of our theoretical‐computational methodology which can be easily extended to more complex systems.
Performance and phenotypic stability of maize hybrids containing exotic introgressions in multi‐environment trials
Authors: Perkins Alden , Lima Dayane C. , Kaeppler Shawn M. , de Leon Natalia
Published: February 2024

Maize (Zea mays L.) grown in the US Midwest contains only a small fraction of the genetic diversity present in the species. Maize populations from other parts of the world may contain genetic variation that could be used to improve or increase the diversity of US germplasm. This study was conducted to assess the performance and phenotypic stability of hybrids containing diverse exotic introgressions across North American environments. Doubled haploid (DH) lines were created by the Germplasm Enhancement of Maize project from backcross 1 families that used 27 open‐pollinated populations from Latin America as donor parents and PHZ51, a non‐Stiff Stalk inbred developed in Iowa, as the recurrent parent. DH lines were testcrossed with LH195, a Stiff Stalk inbred developed in Iowa, and hybrid field trials were performed at 24 environments in the United States and Canada. Experimental hybrids had variable flowering time, plant and ear height, and test weight, but none had significantly greater yield than the PHZ51 × LH195 hybrid. The slopes of linear reaction norm models were significantly lower for the experimental hybrids than the US‐adapted reference hybrids for three traits: yield, growing degree units (GDU) to anthesis, and GDU to silking. The results suggest that unfavorable alleles and phenotypic stability should be considered when exotic open‐pollinated populations are used in US maize breeding.
Recent Progress of Oligomeric Non‐Fullerene Acceptors for Efficient and Stable Organic Solar Cells
Authors: Qi Feng , Li Yanxun , Lin Francis R. , Jen Alex K.‐Y.
Published: February 2024

Organic solar cells (OSCs) have achieved remarkable power conversion efficiencies (PCEs) of over 19 % in the past few years due to the rapid development of non‐fullerene acceptors (NFAs). However, the operational stability remains a great challenge that inhibits their commercialization. Recently, oligomeric NFAs (ONFAs) have attracted great attention, which not only can deliver excellent device performance, but also improve the thermal‐/photo‐ stability of OSCs. This is attributed to the suppressed molecular diffusion of ONFAs associated with their high glass‐transition temperature (Tg) and improved thermodynamic properties of ONFAs. Herein, we focus on investigating the correction between the ONFA chemical structure, material properties, device performance, and stability. In addition, we also try to point out the challenges in synthesizing ONFAs and provide potential directions for future ONFA designs.
Recent Advances in Iridium‐based Electrocatalysts for Acidic Electrolyte Oxidation
Authors: Li Wanqing , Bu Yunfei , Ge Xinlei , Li Feng , Han Gao‐Feng , Baek Jong‐Beom
Published: February 2024

Ongoing research to develop advanced electrocatalysts for the oxygen evolution reaction (OER) is needed to address demand for efficient energy conversion and carbon‐free energy sources. In the OER process, acidic electrolytes have higher proton concentration and faster response than alkaline ones, but their harsh strongly acidic environment requires catalysts with greater corrosion and oxidation resistance. At present, iridium oxide (IrO2) with its strong stability and excellent catalytic performance is the catalyst of choice for the anode side of commercial PEM electrolysis cells. However, the scarcity and high cost of iridium (Ir) and the unsatisfactory activity of IrO2 hinder industrial scale application and the sustainable development of acidic OER catalytic technology. This highlights the importance of further research on acidic Ir‐based OER catalysts. In this review, recent advances in Ir‐based acidic OER electrocatalysts are summarized, including fundamental understanding of the acidic OER mechanism, recent insights into the stability of acidic OER catalysts, highly efficient Ir‐based electrocatalysts, and common strategies for optimizing Ir‐based catalysts. The future challenges and prospects of developing highly effective Ir‐based catalysts are also discussed.
A simplified model‐based nonlinear control with fast response and simple design flow for HB‐LLC resonant converter
Authors: Yang Yuhang , Chen Yanfeng , Zhang Bo
Published: February 2024

LLC resonant converters have attracted much attention for its characteristics of high efficiency and high‐power density in recent years. Yet, with the diversity of application needs such as photovoltaic power generation and electric vehicles, traditional control solutions have gradually been unable to meet the increasing requirements, such as fast response to parameters perturbations. Besides, LLC converter is a high‐order nonlinear system, and it adds complexity to controller design. In order to solve these issues, taking the HB‐LLC converter as an example, this paper presents a simplified model‐based nonlinear control with fast response and simple design. The proposed controller is based on a second‐order model of LLC circuit, and the reverse design idea of the backstepping method is used to simplify the controller design. An experimental platform is built, and the results show that compared with PID control and linear active disturbance rejection control (LADRC), the proposed method has much smaller voltage undershoot (approximately 53.1% of PID and 68.4% of LADRC) and shorter settling time (approximately 27.8% of PID and 39.3% of LADRC) under input voltage change.
Are there specific cytologic features that can predict BRAFV600E mutational status of papillary thyroid carcinoma in fine‐needle aspiration specimens?
Authors: Mendes Juliann M. , Elsheikh Tarik M. , Di Marco Jessica , Russell Jennifer , Gladkaya Tatyana , Nicolas Marlo M. , Clapacs Elisha , Bena James F. , McAfee John L. , Policarpio‐Nicolas Maria Luisa C.
Published: February 2024

Background

BRAFV600E mutation is the most common molecular alteration found in papillary thyroid carcinoma (PTC) and has been linked to recurrent disease or possibly more aggressive behavior. Some studies have reported sickle‐shaped nuclei (SSN) and plump pink cells (PPC) to be predictive markers of BRAF mutation in FNA cytology. We aimed to evaluate the reproducibility of the aforementioned cytologic features.

Methods

A computerized search for diagnosed PTC surgical pathology cases tested for BRAFV600E mutation by Sanger DNA sequencing was performed. Blinded to BRAF results, the corresponding cytology was reviewed for presence of SSN and PPC. Classic nuclear PTC (CNPTC) features, cystic change, and psammoma bodies were also evaluated. The results were correlated with BRAFV600E mutational status and histologic subtypes.

Results

Study cohort consisted of 113 cases (74 BRAFV600E mutated, 39 BRAFV600E wild type).

SSN and combined CNPTC /SSN had positive predictive value of 74% and 75%, respectively. CNPTC showed 92% sensitivity and 20% specificity. Psammoma bodies had 92% specificity and 5% sensitivity. The presence of combined PPC/SSN showed 80% specificity, 27% sensitivity, and diagnostic accuracy of 45%. CNPTC was seen in 60/61 (98%) SSN and 45/45 (100%) PPC. There was no significant statistical association between SSN, PPC, and CNPTC with specific histologic subtypes and BRAF mutational status.

Conclusion

CNPTC is sensitive but not specific for BRAF mutational status. SSN, PPC, and CNPTC are not predictive markers for the presence of BRAF mutation or histologic subtypes. Additional studies may be needed to further corroborate these findings.
Routine application of SFC‐MS in doping control: Analysis of 3 × 1000 urine samples using three different SFC‐MS instruments
Authors: Gavrilović Ivana , Wüst Bernhard , Danaceau Jonathan , Braidman Emmanuelle , de la Torre Xavier , Botrè Francesco , Parr Maria Kristina , Cowan David
Published: February 2024

Supercritical fluid chromatography‐mass spectrometry (SFC‐MS) has proved to be a beneficial tool for sample analysis for a wide variety of compounds and, as such, has recently gained the attention of the anti‐doping community. We have tested the applicability of SFC‐MS for routine doping control analysing approximately 3 × 1000 identical anti‐doping samples utilising SFC‐MS instruments from three different vendors: Agilent Technologies, Waters Corporation and Shimadzu Corporation. A ‘dilute and inject’ approach either without or after hydrolysis of glucuronide metabolites was applied. Most of the compounds included in our study demonstrated excellent chromatography, whereas some showed co‐elution with endogenous interferences requiring MS discrimination. Retention times typically were very stable within batches (%CV ≤ 0.5%), although this appeared to be analyte and column dependent. Chromatographic peak shape was good (symmetrical) and stable over the period of the testing without any change of column. Our results suggest that SFC‐MS is a sensitive, reproducible and robust analytical tool ready to be used in anti‐doping laboratories alongside the currently applied techniques such as gas and liquid chromatography coupled to mass spectrometry. Even if instruments are designed slightly differently, all three setups demonstrated their fitness for the purpose in anti‐doping testing.
Genetic diversity assessment of Helichrysum arenarium (Asteraceae) for the genetic restoration of declining populations
Authors: Van Rossum Fabienne , Godé Cécile , Baruca Arbeiter Alenka , Raspé Olivier , Simsek Melike , Barigand Benjamin , Hardy Olivier J. , Bandelj Dunja
Published: February 2024

Helichrysum arenarium (L.) Moench (Asteraceae) is a self‐compatible, insect‐pollinated herb occurring in sand grasslands, and is declining and endangered in many parts of its European distribution range. A recovery plan of H. arenarium has been conducted in southern Belgium, involving plant translocations. We developed multiplex genotyping protocol for nine microsatellite markers previously published for Helichrysum italicum and two newly developed microsatellite markers for H. arenarium. Eleven polymorphic loci were associated (pooled) in two multiplex panels, to assess the genetic status of the only small remaining population in Belgium and of three large German populations used as seed source for propagating transplants. The small Belgian population was characterized by high clonality, with only two, however heterozygous, genets detected. The three large German populations showed high genetic diversity (He ranging from 0.635 to 0.670) and no significant inbreeding coefficient values, despite expectations of geitonogamous selfing. Management practices (grazing livestock) increasing seed dispersal distances, inbreeding depression at early stages of development, and mechanisms preventing or delaying selfing might be hypothesized to explain the observed patterns. The two Belgian genotypes remained within genetic variation range of German populations so that the high genetic differentiation between Belgian and German populations (FST values ranging from 0.186 to 0.206) likely resulted from genetic drift effects and small sample size. Transplants obtained from seeds sampled from the three large source populations from Germany constitute a highly diverse, noninbred gene pool, and are thus of high genetic quality for plant translocations.
Simultaneous species detection and discovery with environmental DNA metabarcoding: A freshwater mollusk case study
Authors: Vanderpool Daniel D. , Wilcox Taylor M. , Young Michael K. , Pilgrim Kristine L. , Schwartz Michael K.
Published: February 2024

Environmental DNA (eDNA) sampling is a powerful tool for rapidly characterizing biodiversity patterns for specious, cryptic taxa with incomplete taxonomies. One such group that are also of high conservation concern are North American freshwater gastropods. In particular, springsnails of the genus Pyrgulopsis (Family: Hydrobiidae) are prevalent throughout the western United States where >140 species have been described. Many of the described species are narrow endemics known from a single spring or locality, and it is believed that there are likely many additional species which have yet to be described. The distribution of these species across the landscape is of interest because habitat loss and degradation, climate change, groundwater mining, and pollution have resulted in springsnail imperilment rates as high as 92%. Determining distributions with conventional sampling methods is limited by the fact that these snails are often <5 mm in length with few distinguishing morphological characters, making them both difficult to detect and to identify. We developed an eDNA metabarcoding protocol that is both inexpensive and capable of rapid, accurate detection of all known Pyrgulopsis species. When compared with conventional collection techniques, our pipeline consistently resulted in detection at sites previously known to contain Pyrgulopsis springsnails and at a cost per site that is likely to be substantially less than the conventional sampling and individual barcoding that has been done historically. Additionally, because our method uses eDNA extracted from filtered water, it is non‐destructive and suitable for the detection of endangered species where “no take” restrictions may be in effect. This effort represents both a tool which is immediately applicable to taxa of high conservation concern across western North America and a case study in the broader application of eDNA sampling for landscape assessments of cryptic taxa of conservation concern.
Using the multivariate Hawkes process to study interactions between multiple species from camera trap data
Authors: Nicvert Lisa , Donnet Sophie , Keith Mark , Peel Mike , Somers Michael J. , Swanepoel Lourens H. , Venter Jan , Fritz Hervé , Dray Stéphane
Published: February 2024

Interspecific interactions can influence species' activity and movement patterns. In particular, species may avoid or attract each other through reactive responses in space and/or time. However, data and methods to study such reactive interactions have remained scarce and were generally limited to two interacting species. At this time, the deployment of camera traps opens new opportunities but adapted statistical techniques are still required to analyze interaction patterns with such data. We present the multivariate Hawkes process (MHP) and show how it can be used to analyze interactions between several species using camera trap data. Hawkes processes use flexible pairwise interaction functions, allowing us to consider asymmetries and variations over time when depicting reactive temporal interactions. After describing the theoretical foundations of the MHP, we outline how its framework can be used to study interspecific interactions with camera trap data. We design a simulation study to evaluate the performance of the MHP and of another existing method to infer interactions from camera trap‐like data. We also use the MHP to infer reactive interactions from real camera trap data for five species from South African savannas (impala Aepyceros melampus, greater kudu Tragelaphus strepsiceros, lion Panthera leo, blue wildebeest Connochaetes taurinus and Burchell's zebra Equus quagga burchelli). The simulation study shows that the MHP can be used as a tool to benchmark other methods of interspecific interaction inference and that this model can reliably infer interactions when enough data are considered. The analysis of real data highlights evidence of predator avoidance by prey and herbivore–herbivore attraction. Lastly, we present the advantages and limits of the MHP and discuss how it can be improved to infer attraction/avoidance patterns more reliably. As camera traps are increasingly used, the multivariate Hawkes process provides a promising framework to decipher the complexity of interactions structuring ecological communities.
Tyrosine to threonine ratio was related to heart failure with reduced or mildly reduced ejection fraction
Authors: Zhou Qing Fen , Yang Fan , Dai Yang , Chen Shuai , Zhang Feng Ru , Lu Lin , Lu Qiu Ya
Published: February 2024

Aims

We aim to explore the associations between serum tyrosine (Tyr) to threonine (Thr) ratio and chronic heart failure (HF) with reduced or mildly reduced ejection fraction (EF) (HFrEF or HFmrEF).

Methods and results

The study recruited 418 subjects (77.5% males, mean age 65.2 ± 12.5 years), including 318 HF subjects (HFrEF or HFmrEF) and 100 cardiovascular subjects without acute or chronic HF [including heart failure with preserved ejection fraction (HFpEF)] as controls. Serum levels of 21 kinds of amino acids (AAs) were measured by mass spectrometry. Logistic regression analysis was conducted to measuring the association between the AAs levels and the presence of HF. Event‐free survival was determined by Kaplan–Meier curves and differences in survival were assessed using log‐rank tests. Cox regression analysis was used to assess the prognostic value of AAs in HF. Receiver‐operating characteristic (ROC) curve was performed to further confirm regression analysis. Along with the control, HFmrEF, and HFrEF subjects, serum tyrosine (Tyr) gradually increased (64.43 ± 15.28 μmol/L vs. 71.79 ± 18.74 μmol/L vs. 77.32 ± 25.90 μmol/L, P < 0.001) while serum threonine (Thr) decreased (165.21 ± 40.09 μmol/L vs. 144.93 ± 44.56 μmol/L vs. 135.25 ± 41.25 μmol/L, P < 0.001). Tyr/Thr ratio was the independent risk factor for the presence of HF in all subjects [odds ratio (OR), 3.510; 95% confidence interval (CI): 2.445–5.040; P < 0.001]. After following up for a mean year (11.10 ± 2.80 months) in 269 HF subjects (75.1% males, mean age 65.2 ± 12.8 years), the higher Tyr/Thr ratio was associated with a higher risk of HF endpoint events in HF subjects [hazard ratio (HR), 2.901; 95% CI: 1.228–6.851; P = 0.015]. By comparing the area under the receiver‐operating characteristic curve (AUC), Tyr/Thr ratio was superior to Fischer's ratio (FR) in predicting HF occurrence (0.767:0.573, P < 0.001) or cardiovascular (CV) death (0.715:0.550, P = 0.047).

Conclusions

Circulating elevated Tyr/Thr ratio confer an increased risk for the presence of HF and poor prognosis. Tyr/Thr index outweighs FR index in predicting HF occurrence or CV death.
Chlorogenic acid attenuates cardiac hypertrophy via up‐regulating Sphingosine‐1‐phosphate receptor1 to inhibit endoplasmic reticulum stress
Authors: Ping Ping , Yang Ting , Ning Chaoxue , Zhao Qingkai , Zhao Yali , Yang Tao , Gao Zhitao , Fu Shihui
Published: February 2024

Aims

Cardiac hypertrophy, an adaptive response of the heart to stress overload, is closely associated with heart failure and sudden cardiac death. This study aimed to investigate the therapeutic effects of chlorogenic acid (CGA) on cardiac hypertrophy and elucidate the underlying mechanisms.

Methods and results

To simulate cardiac hypertrophy, myocardial cells were exposed to isoproterenol (ISO, 10 μM). A rat model of ISO‐induced cardiac hypertrophy was also established. The expression levels of cardiac hypertrophy markers, endoplasmic reticulum stress (ERS) markers, and apoptosis markers were measured using quantitative reverse transcription PCR and western blotting. The apoptosis level, size of myocardial cells, and heart tissue pathological changes were determined by terminal deoxynucleotidyl transferase dUTP nick‐end labelling staining, immunofluorescence staining, haematoxylin and eosin staining, and Masson's staining. We found that CGA treatment decreased the size of ISO‐treated H9c2 cells. Moreover, CGA inhibited ISO‐induced up‐regulation of cardiac hypertrophy markers (atrial natriuretic peptide, brain natriuretic peptide, and β‐myosin heavy chain), ERS markers (C/EBP homologous protein, glucose regulatory protein 78, and protein kinase R‐like endoplasmic reticulum kinase), and apoptosis markers (bax and cleaved caspase‐12/9/3) but increased the expression of anti‐apoptosis marker bcl‐2 in a dose‐dependent way (0, 10, 50, and 100 μM). Knockdown of sphingosine‐1‐phosphate receptor 1 (S1pr1) reversed the protective effect of CGA on cardiac hypertrophy, ERS, and apoptosis in vitro (P < 0.05). CGA also restored ISO‐induced inhibition on the AMP‐activated protein kinase (AMPK)/sirtuin 1 (SIRT1) signalling in H9c2 cells, while S1pr1 knockdown abolished these CGA‐induced effects (P < 0.05). CGA (90 mg/kg/day, for six consecutive days) protected rats against cardiac hypertrophy in vivo (P < 0.05).

Conclusions

CGA treatment attenuated ISO‐induced ERS and cardiac hypertrophy by activating the AMPK/SIRT1 pathway via modulation of S1pr1.
Clinical implications of subclinical left ventricular dysfunction in heart failure with preserved ejection fraction: The PARAGON‐HF study
Authors: Minamisawa Masatoshi , Inciardi Riccardo M. , Claggett Brian , Cikes Maja , Liu Li , Prasad Narayana , Biering‐Sørensen Tor , Lam Carolyn S.P. , Shah Sanjiv J. , Zile Michael R. , O'Meara Eileen , Redfield Margaret M. , McMurray John J.V. , Solomon Scott D. , Shah Amil M.
Published: February 2024

Aims

Left ventricular (LV) subclinical impairment has been described in heart failure with preserved ejection fraction (HFpEF). We assessed the relationship between LV myocardial deformation by strain imaging and recurrent hospitalization for heart failure (HF) or cardiovascular death in a large international HFpEF population.

Methods and results

We assessed two‐dimensional speckle‐tracking based global longitudinal strain (GLS) in 790 patients (mean age 74 ± 8 years, 54% female) with adequate image quality enrolled in the PARAGON‐HF echocardiography study. We examined the relationship of GLS with total HF hospitalizations and cardiovascular death (the primary composite outcome) after accounting for clinical confounders. Approximately 47% of the population had evidence of LV subclinical dysfunction, defined as absolute GLS <16%. Impaired GLS was significantly associated with higher values of circulating baseline N‐terminal pro‐B‐type‐natriuretic peptide. After a median follow‐up of 3.0 years, there were 407 total HF hospitalizations and cardiovascular deaths. After multivariable adjustment, worse GLS was associated with a greater risk for the primary composite outcome (adjusted hazard ratio per 1% decrease: 1.06; 95% confidence interval 1.02–1.11; p = 0.008). GLS did not modify the treatment effect of sacubitril/valsartan compared with valsartan for the composite outcome (p for interaction >0.1).

Conclusions

In a large HFpEF population, impaired LV function was observed even among patients with preserved ejection fraction, and was associated with an increased risk of total HF hospitalizations or cardiovascular death, accounting for clinical confounders. These findings highlight the key role of subtle LV systolic impairment in the pathophysiology of HFpEF.
Market sentiment and price dynamics in weak markets: A comprehensive empirical analysis of the soybean meal option market
Authors: Yan Bo , Liang Mengru , Zhao Yinxin
Published: February 2024

This study addresses key issues of market efficiency in weak global futures markets, focusing on the intricate relationship between market sentiment and options pricing. Employing rolling variance ratio tests and information‐sharing models for market dynamics analysis, and supplemented with Granger causality tests and impulse response findings, it reveals a significant, unidirectional impact of market sentiment on options pricing, especially during periods of heightened sentiment. These insights underscore the importance of considering time dynamics in market behavior analysis, offering a novel perspective on futures and options market understanding.
Early exercise, implied volatility spread and future stock return: Jumps bind them all
Authors: Garrett Ian , Gazi Adnan
Published: February 2024

We find that early exercise premiums of exchange‐traded single‐stock American puts, in excess of the GBM‐world premium, can negatively predict future stock returns. Simulations suggest that asset‐value jumps, especially the mean jump‐size, can positively drive this excess premium, while jump‐size can also negatively induce the implied volatility (IV) spread of equivalent American option‐pairs. Empirically, controlling for the effect of jump‐size in excess premiums, the premium loses its predictive power. Furthermore, controlling for the excess premium or jump‐size, IV spreads' predictability shown in the literature also diminishes. Our evidence survives under alternative explanations like informed trading, stock mispricing or market frictions.
AI and Global Climate Change: The political economy of data and energy in geographic perspective
Authors: Alvarez Leon Luis F.
Published: February 2024

Artificial Intelligence (AI) and Global Climate Change are two developments that will come to define the twenty‐first century. As such, examining their intersections is crucial and can yield important insights. Geography is well positioned to study these intersections through its diverse conceptual and methodological toolkit, which bridges the physical and environmental science, the social sciences and the humanities, as well as the human and more‐than‐human worlds. A first step in deploying a geographic analysis can be to ground the links between AI and Global Climate Change in concrete geographic contexts. I illustrate this exercise in the paragraphs that follow and identify its productive potential. Specifically, this text deploys a geographic perspective grounded in political economy to connect concerns about the data and energy inequalities embedded in various AI applications while showing how such inequalities are intertwined both with the monitoring of Global Climate Change and with its material impacts.
Describing inherently anisotropic behaviours of natural clay by a hypoplastic model
Authors: Fu Liaoyi , Zhou Jian , Gong Xiaonan , Guo Panpan
Published: February 2024

The purpose of this paper is to model the loading direction‐dependent behaviours of inherently anisotropic intact clay by means of the hypoplastic framework. The basic hypoplastic model for clays proposed by Mašín (2013) is enhanced by incorporating a predefined anisotropic asymptotic state boundary surface formulation which is based on an anisotropic variable by projecting the microstructure tensor onto the normal of the spatially mobilized plane. The capability of the proposed hypoplastic model is first illustrated by simulations of intact Wenzhou soft clay under drained torsional shear tests using the hollow cylinder apparatus. The model is then used to predict undrained shear results on San Francisco Bay mud. Comparisons between the predicted and measured results demonstrate that the proposed hypoplastic model is capable of modelling the combined effect of the principal stress direction and intermediate principal stress on the stress‐strain behaviour of natural soft clay with inherent anisotropy.
Geriatric depression and anxiety screening via deep learning using activity tracking and sleep data
Authors: Lee Tae‐Rim , Kim Geon Ha , Choi Mun‐Taek
Published: February 2024

Background

Geriatric depression and anxiety have been identified as mood disorders commonly associated with the onset of dementia. Currently, the diagnosis of geriatric depression and anxiety relies on self‐reported assessments for primary screening purposes, which is uncomfortable for older adults and can be prone to misreporting. When a more precise diagnosis is needed, additional methods such as in‐depth interviews or functional magnetic resonance imaging are used. However, these methods can not only be time‐consuming and costly but also require systematic and cost‐effective approaches.

Objective

The main objective of this study was to investigate the feasibility of training an end‐to‐end deep learning (DL) model by directly inputting time‐series activity tracking and sleep data obtained from consumer‐grade wrist‐worn activity trackers to identify comorbid depression and anxiety.

Methods

To enhance accuracy, the input of the DL model consisted of step counts and sleep stages as time series data, along with minimal depression and anxiety assessment scores as non‐time‐series data. The basic structure of the DL model was designed to process mixed‐input data and perform multi‐label‐based classification for depression and anxiety. Various DL models, including the convolutional neural network (CNN) and long short‐term memory (LSTM), were applied to process the time‐series data, and model selection was conducted by comparing the performances of the hyperparameters.

Results

This study achieved significant results in the multi‐label classification of depression and anxiety, with a Hamming loss score of 0.0946 in the Residual Network (ResNet), by applying a mixed‐input DL model based on activity tracking data. The comparison of hyper‐parameter performance and the development of various DL models, such as CNN, LSTM, and ResNet contributed to the optimization of time series data processing and achievement of meaningful results.

Conclusions

This study can be considered as the first to develop a mixed‐input DL model based on activity tracking data for the multi‐label identification of late‐life depression and anxiety. The findings of the study demonstrate the feasibility and potential of using consumer‐grade wrist‐worn activity trackers in conjunction with DL models to improve the identification of comorbid mental health conditions in older adults. The study also established a multi‐label classification framework for identifying the complex symptoms of depression and anxiety.
Numerical analysis of convective heat loss from a cylindrical–hemispherical receiver using a glass cover and an air curtain
Authors: Kumar Kolli Harish , Karmakar Malay , Mondal Bittagopal
Published: February 2024

It is imperative to mitigate the convective heat loss from the receiver to improve the overall efficiency of the parabolic dish concentrator. In this study, the reductions of convective heat loss from the cylindrical‐hemispherical receiver are numerically analyzed and the model was validated by the experimental data from literature. In the first case, the impact of the glass cover on convective heat loss is examined under conditions of both natural and forced convections at various receiver orientations (γ = 0°, 30°, 60°, and 90°). Numerical results clearly demonstrate that the use of a glass cover significantly reduces the intrusion of surrounding air into the receiver cavity which leads to an enhancement of the stagnation zone inside the cavity and, as a consequence, a noticeable reduction in convective heat loss is observed. To perform analysis of the receiver with glass cover under forced convective condition, the wind velocities over the receiver are considered in the range of 1–6 m/s. The maximum reduction of convective heat loss using the glass cover is achieved to be 58.44% with wind velocity of 5 m/s at γ = 60°. In the second case, the influence of air curtain at the receiver aperture under natural convective heat loss conditions is analyzed. The analysis incorporates three variables: receiver orientation (γ = 0°–60°), nozzle width ( = 0.002–0.004 m), and nozzle outlet velocity ( = 0.5–3.5 m/s). The results show that the air curtain minimizes the outflow of receiver inside air and results in an improvement in the stagnation zone inside the cavity. The maximum effectiveness of the air curtain is found to be 43.2% at nozzle width of  = 0.004 m and nozzle velocity of  = 1.5 m/s at receiver orientation of 60°. It is also noteworthy that the optimal nozzle velocity decreases with the increase of nozzle widths.
Phenothiazines: Nrf2 activation and antioxidant effects
Authors: Egbujor Melford C. , Tucci Paolo , Buttari Brigitta , Nwobodo David C. , Marini Pietro , Saso Luciano
Published: February 2024

Phenothiazines (PTZs) are an emerging group of molecules showing effectiveness toward redox signaling and reduction of oxidative injury to cells, via the activation on Kelch‐like ECH‐associated protein 1/nuclear factor erythroid 2‐related factor 2 (Nrf2). Although several electrophilic and indirect Nrf2 activators have been reported, the risk of “off‐target” effect due to the complexity of their molecular mechanisms of action, has aroused research interest toward non‐electrophilic and direct modulators of Nrf2 pathway, such as PTZs. This review represents the first overview on the roles of PTZs as non‐electrophilic Nrf2 activator and free radical scavengers, as well as on their potential therapeutic effects in oxidative stress‐mediated diseases. Here, we provide a collective and comprehensive information on the PTZs ability to scavenge free radicals and activate the Nrf2 signaling pathway, with the aim to broaden the knowledge of their therapeutic potentials and to stimulate innovative research ideas.
Bisphenol A regulates bladder cells responses via control of G2/M‐phase cell cycle, apoptotic signaling, MAPK pathway, and transcription factor‐associated MMP modulation
Authors: Song Jun‐Hui , Hwang Byungdoo , Park Solbi , Kim Soobin , Kim Dong‐Ho , Choi Yung Hyun , Kim Wun‐Jae , Moon Sung‐Kwon
Published: February 2024

Bisphenol A (BPA), an exogenous endocrine‐disrupting chemical, is widely used to produce polycarbonate plastics. The widely used BPA has been detected in human urine samples, raising public anxiety about the detrimental effects of BPA on the bladder. In this study, we explored regulatory mechanisms for the adverse effects of BPA in human bladder BdFC and T24 cells. BPA induced extrinsic and intrinsic apoptosis and G2/M cell cycle arrest caused by the ATM‐CHK1/CHK2‐CDC25c‐CDC2 signaling, which ultimately inhibited the growth of human bladder cells. We also found that BPA decreased the binding activity of AP‐1 and NF‐κB transcription factors in human bladder cells, which inhibited migration and invasion through matrix metallopeptidase‐2 and ‐9 inactivation. Phosphorylation of MAPKs was implicated with BPA‐mediated detrimental effects in human bladder cells. Collectively, our results provide a novel explanation for the underlying molecular mechanisms that BPA induces cytotoxicity in human bladder cells.