bluuebunny/crossref_metadata_2025 huggingface dataset:
Tuning surface wettability of MoS2 to enhance solar‐driven evaporation rates
Authors: Emrinaldi Tengku , Dwiputra Muhammad Adam , Fareza Ananta R. , Umar Akrajas Ali , Nugroho Ferry Anggoro Ardy , Ginting Riski Titian , Fauzia Vivi
Published: July 2023

Molybdenum disulfide (MoS2), a promising two‐dimensional photothermal material, possesses the capability to convert solar irradiation into thermal energy. This conversion is beneficial for processes like wastewater treatment and seawater desalination. Nevertheless, the influence of the surface chemical properties of MoS2, particularly its wettability, on the evaporation rate of water confined to the surface remains unexplored. In our study, we demonstrate that the wettability degree of MoS2 significantly influences its water evaporation rate performance. Interestingly, this parameter can be simply and accurately modulated by altering the synthesis time of MoS2. We synthesized MoS2 via a simple hydrothermal method at three different durations: 16, 20, and 24 h, at 200°C. Subsequently, we impregnated the resultant MoS2 onto air‐laid paper (ALP), forming a solar‐driven evaporator system. We found that the MoS2 nanosheets synthesized within the shortest duration (MoS2‐16 h) exhibited the highest evaporation rate of 1.77 kg m−2 h−1, along with 92% energy efficiency. MoS2‐16 h resulted in MoS2 rich in defects, featuring the largest surface area and the smallest contact angle. The hydrophilic areas of MoS2‐16 h facilitated the continuous diffusion of water molecules through defect sites, treating them as contact lines. Additionally, the expansive surface area introduced a larger region for light absorption, enhancing water‐solid interactions. The presence of molybdenum oxide on the surface of the nanosheet system also contributed to superior wettability behavior. Notably, all the tested MoS2/ALP systems in this study displayed excellent performance in salt rejection and heavy metal ion concentration reduction.
Investigation of the antimicrobial, antioxidant, hemolytic, and thrombolytic activities of Camellia sinensis, Thymus vulgaris, and Zanthoxylum armatum ethanolic and methanolic extracts
Authors: Rafique Sobia , Murtaza Mian Anjum , Hafiz Iram , Ameer Kashif , Qayyum Mir Muhammad Nasir , Yaqub Shazia , Mohamed Ahmed Isam A.
Published: July 2023

Camellia sinensis is rich in antioxidants such as polyphenols; Thymus vulgaris contains bioactive compounds (flavonoids, terpenoids, and tannins) and Zanthoxylum armatum is primarily composed of volatile oils, amides, alkaloids, flavonoids, lignan, and coumarin. The antibacterial, antifungal, biofilm inhibition, antioxidant, hemolytic, and thrombolytic activities of Camellia sinensis, Thymus vulgaris, and Zanthoxylum armatum ethanol and methanol extracts at different concentrations (30%, 50%, and 80%) were determined. The antioxidant activity and content were measured as free radical scavenging assay (DPPH), total flavonoid content (TFC), and total phenolic content (TPC). Furthermore, hemolytic and thrombolytic analysis was carried out to determine toxicity. In antimicrobial assays, 80% methanol thyme extract showed highest (15.31 mm) antibacterial activity against Bacillus subtilis, and 80% ethanol green tea extract showed optimal antibacterial activity against Staphylococcus aureus. Ethanol 30% green tea extract resulted in highest (26.61 mm) antifungal activity against Aspergillus niger. The maximum (54.73%) biofilm inhibition was resulted by methanol 50% thyme extract for Escherichia coli. In antioxidant activity and content, methanol 50% green tea extract had highest (80.82%) antioxidant activity, whereas, ethanol 80% green tea extract had maximum (1474.55 mg CE/g DW) TFC and methanol 80% green tea extract had maximum (593.05 mg GAE/g) TPC. In toxicological assays, methanol 30% green tea extract had highest (25.28%) thrombolytic activity, and ethanol 80% tejphal extract had maximum (18.24%) hemolytic activity. This study has highlighted the significant antimicrobial, antioxidant, hemolytic, and thrombolytic activities of Camellia sinensis, Thymus vulgaris, and Zanthoxylum armatum extracts that could be beneficial to treat various diseases (cancer, diabetes, and respiratory diseases) and may be utilized as functional ingredient in the preparation of functional foods and drinks.
Safety and efficacy of elapegademase in patients with adenosine deaminase deficiency: A multicenter, open‐label, single‐arm, phase 3, and postmarketing clinical study
Authors: Onodera Masafumi , Uchiyama Toru , Ariga Tadashi , Yamada Masafumi , Miyamura Takako , Arizono Hironori , Morio Tomohiro
Published: July 2023

Introduction

Adenosine deaminase (ADA) deficiency is an ultrarare inherited purine metabolism disorder characterized by severe combined immunodeficiency. Elapegademase‐lvlr is a new pegylated recombinant bovine ADA used in enzyme‐replacement therapy (ERT) for ADA deficiency. Therefore, replacement with the new drug may eliminate the infectious risks associated with the currently used bovine intestinal‐derived product, pegademase.

Methods

We conducted a multicenter, single‐arm, open‐label, phase 3, and postmarketing clinical study of elapegademase for patients with ADA deficiency. The following biochemical markers were monitored to determine an appropriate dose of elapegademase: the trough deoxyadenosine nucleotide (dAXP) level ≤0.02 μmol/mL in erythrocytes or whole blood and the trough serum ADA activity ≥1100 U/L (equivalent to plasma levels ≥15 μmol/h/mL) indicated sufficient enzyme activity and detoxification as efficacy endpoints and monitored adverse events during the study as safety endpoints.

Results

A total of four patients (aged 0–25 years) were enrolled. One infant patient died of pneumonia caused by cytomegalovirus infection whereas the other three completed the study and have been observed in the study period over 3 years. The infant patient had received elapegademase at 0.4 mg/kg/week until decease and the others received elapegademase at maximum doses of 0.3 mg/kg/week for 164–169 weeks. As a result, all four patients achieved undetectable levels of dAXPs together with sufficient enzyme activity, increased T and B cell numbers, and slightly elevated and maintained IgM and IgA immunoglobulin levels. Serious adverse events occurred in three patients, all of which were assessed as unrelated to elapegademase.

Conclusions

This study showed that elapegademase had comparable safety and efficacy to pegademase as ERT for ADA deficiency by demonstrating stable maintenance of sufficient ADA activity and lowering dAXP to undetectable levels, while no drug‐related adverse events were reported (Trial registration: JapicCTI‐163204).
Consumer bankruptcy: Decision, choice and access to credit afterwards
Authors: Gumus Atilla , Kara Alper , Ahmad Ahmad Hassan , Glass Karligash
Published: July 2023

We examine the effects of the bankruptcy benefit and adverse events on the consumer bankruptcy decision. Employing zero‐inflated ordered probit models and a unique longitudinal survey of approximately 66,000 individuals in Great Britain, we find that consumers are more likely to enter into bankruptcy proceedings when the bankruptcy benefit increases and when they become unemployed. We find that the effects of adverse events differ across bankruptcy types. Individuals who experience the onset of health problems are more likely to choose reorganization of debts (i.e., income gleaning), whereas individuals who get divorced or separated are more likely to prefer the discharge of debts (i.e., fresh start). We also examine access to credit after bankruptcy. We find that individuals are excluded from the credit markets post‐bankruptcy and the impact differs across bankruptcy types. Credit exclusion for fresh starters is dramatic, swift but short‐lived, while for income gleaners, it is gradual, slow but lasts longer.
Cryptocurrencies and Lucky Factors: The value of technical and fundamental analysis
Authors: Wei Mingzhe , Kyriakou Ioannis , Sermpinis Georgios , Stasinakis Charalampos
Published: July 2023

This study explores the effectiveness of technical and fundamental analysis in predicting and trading the returns of 12 cryptocurrencies, namely Bitcoin, Ethereum, Ripple, Dash, Cardano, Avalanche, Binance Coin, Dogecoin, Polkadot, Litecoin, Terra and Solana. A universe of 7846 technical rules, five log moving average‐based ratios and 59 fundamental factors are used to test predictability and profitability through the Lucky Factors methodology and Superior Predictive Ability test. We observe predictability for a small set of technical and fundamental rules, while only the short‐term log moving average‐based ratio and Hashrate Index demonstrate genuine in‐sample and out‐of‐sample profitability. Our findings question the value of both technical and fundamental analysis on cryptocurrencies.
Impact of near‐miss event during pregnancy and childbirth on maternal health at 12 months
Authors: Keepanasseril Anish , Maurya Dilip Kumar , Velmurugan Bharathi , Karuppusamy Dhamotharan , Pillai Ajith Ananthakrishna , Parameswaran Sreejith , Kar Sitanshu Sekhar
Published: July 2023

Objective

To assess the impact of maternal near‐miss on late maternal death and the prevalence of hypertension or chronic kidney disease (CKD) and mental health problems at 12 months of follow up.

Methods

This prospective cohort study was conducted in a tertiary hospital in the southeastern region of India from May 2018 to August 2019, enrolling those with maternal near‐miss and with follow up for 12 months. The primary outcomes were incidence of late maternal deaths and prevalence of hypertension and CKD during follow up.

Results

Incidence of maternal near miss was 6.7 per 1000 live births. Among those who had a near miss, late maternal deaths occurred in 7.2% (95% confidence interval [CI] 3.1%–11.3%); prevalence of CKD was 23.0% (95% CI 16.2%–29.8%), and of hypertension was 56.2% (95% CI 50.5%–66.5%) and only two women had depression on follow up. After adjusting for age, parity, socioeconomic status, gestational age at delivery, hemoglobin levels, and perinatal loss, only serum creatinine was independently associated with late maternal death and CKD on follow up.

Conclusions

Women who survive a life‐threatening complication during pregnancy and childbirth are at increased risk of mortality and one or more long‐term sequelae contributing to the non‐communicable disease burden. A policy shift to increase postpartum follow‐up duration, following a high‐risk targeted approach after a near‐miss event, is needed.
Procedural Democracy and Electronic Agents
Authors: Gupta Suman
Published: July 2023

In recent years, firms offering political campaigning and fundraising services have claimed that artificial intelligence is used to maximize their clients' interests. Numerous news reports suggest that artificial intelligence capacities have influenced high‐profile voting events; publications decrying the threat posed to democratic procedures are proliferating. This article takes a skeptical view of such claims, with an argument in six sections. First, the received principles of procedural democracy in relation to voting events are outlined. Second, the kind of services in question are considered. Third, to what extent these services actually involve artificial intelligence is pondered. Fourth, how such technological capacities may bear upon the tenets of procedural democracy are raised. Fifth, it is argued that it is unlikely that those tenets are indeed significantly undermined in practice. And sixth, this article concludes by considering the implications of it being proven that such technological capacities do play a decisive role in voting events.
Machine Learning Techniques for Accountability
Authors: Kim Been , Doshi‐Velez Finale
Published: July 2023

Artificial intelligence systems have provided us with many everyday conveniences. We can easily search for information across millions of web‐pages via text and voice. Paperwork processing is increasingly automated. Artificial intelligence systems flag potentially fraudulent credit‐card transactions and filter our e‐mail. Yet these artificial intelligence systems have also experienced significant failings. Across a range of applications, including loan approvals, disease severity scores, hiring algorithms, and face recognition, artificial‐intelligence‐based scoring systems have exhibited gender and racial bias. Self‐driving cars have had serious accidents. As these systems become more prevalent, it is increasingly important that we identify the best ways to keep them accountable.
Report on the First and Second Workshops on Hierarchical Planning Held at the International Conference on Automated Planning and Scheduling
Authors: Bercher Pascal , Höller Daniel , Behnke Gregor , Biundo Susanne , Shivashankar Vikas , Alford Ron
Published: July 2023

Hierarchical planning has attracted renewed interest in the last few years. Consequently, the time was right to establish a workshop devoted entirely to hierarchical planning — an insight shared by many supporters. In this article, we report on the first International Conference on Automated Planning and Scheduling workshop on hierarchical planning held in Delft, The Netherlands, in 2018 as well as on the second workshop held in Berkeley, CA, USA, in 2019.
The Case Against Registered Reports
Authors: Gundersen Odd Erik
Published: July 2023

Registered reports have been proposed as a way to move from eye‐catching and surprising results and toward methodologically sound practices and interesting research questions. However, none of the top‐twenty artificial intelligence journals support registered reports, and no traces of registered reports can be found in the field of artificial intelligence. Is this because they do not provide value for the type of research that is conducted in the field of artificial intelligence?
School absenteeism and impairment associated with weight bullying
Authors: Lydecker Janet A. , Winschel Julia , Gilbert Kelsey , Cotter Elizabeth W.
Published: July 2023

Introduction

Many children experience weight‐based bullying (WB), when individuals are treated poorly or demeaned because of weight. WB has negative mental and physical health consequences. The current study examined how children's experiences of different forms of WB (verbal, social, physical, cyber) were associated with impaired functioning in school, social life, and family life.

Methods

Data were collected in Spring 2021. Participants (N = 224) were parents of a school‐aged child and lived in the United States. Sixty percent of parents were mothers and 72% of parents self‐identified as White. They completed surveys regarding weight, eating, and bullying.

Results

Social and cyber WB were associated with clinically significant impairment for both children and parents. Children who experienced social and physical WB were more likely to skip school, whereas physical and cyber WB were associated with skipping a particular class. All forms of bullying were associated with skipping gym class. Social and cyber WB were associated with isolating. Cyber WB was associated with all disordered eating behaviors. In addition, physical WB was associated with binge eating, social WB was associated with purging, and verbal WB was associated with secretive eating.

Discussion

Victims of WB experience impairment in school, social life, and family life, absenteeism, and disordered eating. It is essential to develop approaches to address WB in its various forms to identify strategies for reducing and preventing WB across various levels of influence, including peer groups, schools, and families.
Artificial intelligence (A.I.) in dental curricula: Ethics and responsible integration
Authors: Kim Clara S. , Samaniego Cheryl S. , Sousa Melo Saulo L. , Brachvogel William A. , Baskaran Krithika , Rulli Danielle
Published: July 2023

The use of artificial intelligence (AI) is deeply embedded in all aspects of our daily lives, promoting efficiency and safety in routine tasks at home and work. Likewise, dentistry is rapidly exploring new uses of AI for image analysis, electronic health records, and clinical decision‐making. The accelerating advancement of AI and its application in dentistry demands dental education conscientiously integrate AI into curricula and equip graduates to use it ethically and responsibly in practice. The approach must be threefold: instill knowledge of the basic algorithms and appropriate application of AI, discuss its limitations/biases, and examine current and potential ethical challenges in practice. Furthermore, dental education must protect the public from intentional and unintentional harm introduced by AI. Therefore, the purpose of this perspective paper is to discuss various considerations for integrating AI into the dental curriculum, prioritizing patient safety by ensuring knowledgeable, safe, and ethical application by future providers.
Label‐free discrimination of extracellular vesicles from large lipoproteins
Authors: Kashkanova Anna D. , Blessing Martin , Reischke Marie , Baur Jan‐Ole , Baur Andreas S. , Sandoghdar Vahid , Van Deun Jan
Published: July 2023

Extracellular vesicles (EVs) are increasingly gaining interest as biomarkers and therapeutics. Accurate sizing and quantification of EVs remain problematic, given their nanometre size range and small scattering cross‐sections. This is compounded by the fact that common EV isolation methods result in co‐isolation of particles with comparable features. Especially in blood plasma, similarly‐sized lipoproteins outnumber EVs to a great extent. Recently, interferometric nanoparticle tracking analysis (iNTA) was introduced as a particle analysis method that enables determining the size and refractive index of nanoparticles with high sensitivity and precision. In this work, we apply iNTA to differentiate between EVs and lipoproteins, and compare its performance to conventional nanoparticle tracking analysis (NTA). We show that iNTA can accurately quantify EVs in artificial EV‐lipoprotein mixtures and in plasma‐derived EV samples of varying complexity. Conventional NTA could not report on EV numbers, as it was not able to distinguish EVs from lipoproteins. iNTA has the potential to become a new standard for label‐free EV characterization in suspension.
Adipose derived stem cell extracellular vesicles modulate primary human macrophages to an anti‐inflammatory phenotype in vitro
Authors: Symonds Emma K. C. , Black Bianca , Brown Alexander , Meredith Ineke , Currie Margaret J. , Hally Kathryn E. , Danielson Kirsty M.
Published: July 2023

EVs released by adipose derived stem cells (ADSCs) have shown promise as a therapeutic for tissue repair because of their purported immune‐regulatory properties. Extracellular vesicles (EVs) from ADSCs could be beneficial in improving graft retention rates for autologous fat grafting (AFG) post‐mastectomy as, currently, grafted tissue rates are variable. Enriching grafted tissue with ADSC‐EVs may improve retention rates by modulating macrophages resident within both the breast and lipoaspirate. We aimed to identify key macrophage phenotypes that are modulated by ADSC‐EVs in vitro. ADSCs were isolated from lipoaspirates of women undergoing AFG and characterised by flow cytometry and differentiation potential. ADSC‐EVs were isolated from culture media and characterised by tuneable resistive pulse sensing, transmission electron microscopy and Western blot. Primary monocyte‐derived macrophages were polarized to an M1‐like (GM‐CSF, IFNγ), M2‐like phenotype (M‐CSF, IL‐4) or maintained (M0‐like; M‐CSF) and ADSC‐EVs were co‐cultured with macrophages for 48 h. Flow cytometry and high‐dimensional analysis clustered macrophages post co‐culture. A manual gating strategy was generated to recapitulate these clusters and was applied to a repeat experimental run. Both runs were analysed to examine the prevalence of each cluster, representing a unique macrophage phenotype, with and without ADSC‐EVs. Following the addition of ADSC‐EVs, M0‐like macrophages demonstrated a reciprocal shift of cell distribution from a cluster with a ‘high inflammatory profile’ (CD36+++CD206+++CD86+++; 16.5 ± 7.0%; p < 0.0001) to a cluster with a ‘lower inflammatory profile’ (CD36+CD206+CD86+; 35  ± 21.5%; p < 0.05). M1‐like macrophages shifted from a cluster with a ‘high inflammatory profile’ (CD206++CD11b++CD36++CD163++; 26.1 ± 9.4%; p = 0.0024) to a ‘lower inflammatory profile’ (CD206+CD11b+CD36+CD163+; 72.8  ± 8.7%; p = 0.0007). There was no shift in M2‐like clusters following ADSC‐EV treatment. ADSC‐EVs are complex regulators of macrophage phenotype that can shift macrophages away from a heightened pro‐inflammatory state.
African‐centered therapeutic community substance abuse treatment with incarcerated Black males: A pilot model
Authors: Williams Otis , Humphrey Marja , Bolden Mark A. , Wagner Rachel
Published: July 2023

This article proposes a pilot therapeutic intervention for counseling Black male substance abusers within the carceral system. Despite the noted fact that Black males are disproportionately represented as drug‐using offenders, few treatment models exist that are germane to this population. The current model emanated from an African‐centered theoretical framework. Additionally, it employed the therapeutic community approach that addresses substance use and mental health issues among inmates. Specific considerations for counselors and future research are discussed.
High‐pressure oxidation of n‐butane
Authors: Hashemi Hamid , Christensen Jakob M. , Glarborg Peter , Gersen Sander , van Essen Martijn , Wang Ziyu , Ju Yiguang
Published: July 2023

The oxidation of n‐butane at elevated pressures has been investigated by experiments in a laminar flow reactor at 100 bar and temperatures of 450–900 K. The onset temperature for reaction increased from 550 K under oxidizing conditions (Φ = 0.02) to 625 K under reducing conditions (Φ = 13). NTC behavior was observed at 600–650 K (Φ = 0.02) and 625–675 K (Φ = 1.0). A detailed chemical kinetic model for the oxidation of n‐butane was established. The present model and those suggested in literature were evaluated against the present experimental results and literature data at elevated pressures. None of the tested models could accurately reproduce the NTC behavior of n‐butane under stoichiometric conditions of the present study, but all evaluated models could reproduce experimental data from literature with different levels of accuracy.
Germination and sustainable cultivation of succulent halophytes using resources from a degraded estuarine area through soil technologies approaches and saline irrigation water
Authors: Cortinhas Ana , Ferreira Teresa C. , Abreu Maria Manuela , Caperta Ana D.
Published: July 2023

The degradation of estuarine areas has been a growing concern in recent years, as these ecosystems offer several services. The Arthrocnemum and Suaeda genera produce useful compounds with various applications, which have led to their overexploitation in their native habitats. The main goal of this study is to use green technologies for sustainable cultivation of two species bioindicators of Mediterranean saltmarshes, Arthrocnemum macrostachyum and Suaeda vera, as an alternative to their overutilization. A tailored soil (TAIL) was constructed with a Saline Fluvisol (FLU), from a marginal estuarine area, and organic/inorganic residues were used as amendments, for plant cultivation. Seeds collected in natural populations were pretreated with two dormancy‐breaking treatments (H2SO4, H2O2) and germinated in FLU or TAIL. A microcosm assay using FLU or TAIL irrigated with estuarine water (VF) or three aqueous saline solutions (0, 200, or 400 mmol/L NaCl) was established. The species obtained a low percentage of seeds' germination being the highest values under substrate control (water‐soaked filter paper). The A. macrostachyum reached the highest germination percentage when seeds were pretreated with H2SO4 (20%) while the germination of S. vera was favored by the pretreatment with H2O2 (49%). Both species had the highest growth in TAIL irrigated with 0 or VF, presenting the largest stems (13–32 cm), the largest primary branches (3.5–7.2 cm), and the highest production of aerial part biomass (28–36 g). This study contributes to the sustainable cultivation of these valuable halophytes and could play an important role in the sustainable management of marginal estuarine land.
Upper limits for road salt pollution in lakes
Authors: Solomon Christopher T. , Dugan Hilary A. , Hintz William D. , Jones Stuart E.
Published: July 2023

Widespread and increasing use of road deicing salt is a major driver of increasing lake chloride concentrations, which can negatively impact aquatic organisms and ecosystems. We used a simple model to explore the controls on road salt concentrations and predict equilibrium concentrations in lakes across the contiguous United States. The model suggests that equilibrium salt concentration depends on three quantities: salt application rate, road density, and runoff (precipitation minus evapotranspiration). High application combined with high road density leads to high equilibrium salt concentrations regardless of runoff. Yet if application can be held at current rates or reduced, concentrations in many lakes situated in lightly to moderately urbanized watersheds should equilibrate at levels below currently recommended thresholds. In particular, our model predicts that, given 2010–2015 road salt application rates, equilibrium chloride concentrations in the contiguous United States will exceed the current regulatory chronic exposure threshold of 230 mg L−1 in over 2000 lakes; will exceed 120 mg L−1 in over 9000 lakes; and will be below 120 mg L−1 in hundreds of thousands of lakes. Our analysis helps to contextualize current trends in road salt pollution of lakes, and suggests that stabilization of equilibrium chloride concentrations below thresholds designed to protect aquatic organisms should be an achievable goal.
A novel splicing variation in L1CAM is responsible for recurrent fetal hydrocephalus
Authors: He Tiantian , Yao Qiang , Xu Bocheng , Yang Mei , Jiang Jieni , Xiang Qingqing , Xiao Like , Liu Shanling , Wang He , Zhang Xuemei
Published: July 2023

Background

The L1 cell adhesion molecule (L1CAM, OMIM 308840) gene is primarily expressed in the nervous system and encodes the L1 adhesion molecule protein. Variations in L1CAM cause a wide spectrum of X‐linked neurological disorders summarized as the L1 syndrome.

Methods

We report a 29‐year‐old pregnant woman who experienced multiple adverse pregnancy outcomes due to recurrent fetal hydrocephalus with an X‐linked recessive inheritance. Genomic DNA was extracted from the third aborted male fetus and analyzed via trio whole‐exome sequencing (WES). Total RNA was isolated from the pregnant woman to assess splicing variation at the mRNA level, and amniotic fluid was extracted from the woman for prenatal diagnosis on her fourth fetus.

Results

All four male fetuses were affected by severe hydrocephalus. We identified a maternally derived hemizygous splicing variation NM_000425.5:[c.3046 + 1G > A]; NP_000416.1 p.(Gly1016AspfsTer6) (chrX:153130275) in Intron 22 of the L1CAM. This variation disrupts the donor splice site and causes the retention of Intron 22, which results in frame shift and a premature termination codon at position 1021 with the ability to produce a truncated protein without the fifth fibronectin‐repeat III, transmembrane, and cytoplasmic domains or to induce the degradation of mRNAs by nonsense‐mediated mRNA decay. The same hemizygous variant was also detected in the amniocytes.

Conclusion

This report enhances our knowledge of genetic and phenotypic characteristics of X‐linked fetal hydrocephalus, providing a new genetic basis for prenatal diagnosis and pre‐implantation prenatal diagnosis.
Phenothiazine‐based virtual screening, molecular docking, and molecular dynamics of new trypanothione reductase inhibitors of Trypanosoma cruzi
Authors: González‐González Alonzo , Vázquez Citlali , Encalada Rusely , Saavedra Emma , Vázquez‐Jiménez Lenci K. , Ortiz‐Pérez Eyra , Bolognesi María Laura , Rivera Gildardo
Published: July 2023

Phenothiazine derivatives can unselectively inhibit the trypanothione‐dependent antioxidant system enzyme trypanothione reductase (TR). A virtual screening of 2163 phenothiazine derivatives from the ZINC15 and PubChem databases docked on the active site of T. cruzi TR showed that 285 compounds have higher affinity than the natural ligand trypanothione disulfide. 244 compounds showed higher affinity toward the parasite's enzyme than to its human homolog glutathione reductase. Protein‐ligand interaction profiling predicted that the main interactions for the top scored compounds were with residues important for trypanothione disulfide binding: Phe396, Pro398, Leu399, His461, Glu466, and Glu467, particularly His461, which participates in catalysis. Two compounds with the desired profiles, ZINC1033681 (Zn_C687) and ZINC10213096 (Zn_C216), decreased parasite growth by 20 % and 50 %, respectively. They behaved as mixed‐type inhibitors of recombinant TR, with Ki values of 59 and 47 μM, respectively. This study provides a further understanding of the potential of phenothiazine derivatives as TR inhibitors.
Optimum design of planar quasi‐Yagi antenna for wearable Internet of Things (IoT) applications
Authors: Dass Ruby , Thirumoorthy Gopalakrishnan , Ananthakrishnan Gayathri , Kannan Anusha , Rajendran Sureshbabu , Narayanan Manikandan , Arputharaj Kannan
Published: July 2023

This paper presents the design of a novel dual‐band quasi‐Yagi antenna for on‐body communications. The proposed antenna is designed on 0.05 mm thin microwave laminate and is designed to cover the 2.45 and 3.5 GHz spectrum to meet the needs of on‐body Internet of Things networks. Microstrip to slot‐line transition is used for the excitation of the feeder element. The conventional feeder of the quai‐Yagi is replaced with F‐shaped radiators to obtain a dual‐band response. In addition, a pair of directors are used to enhance the antenna gain. The proposed quasi‐Yagi antenna is optimized using the spider monkey algorithm. The chosen algorithm is used to synthesize the dimensions of the dual‐band radiator and is preferred to obtain quick convergence, unlike the traditional optimization algorithms. The optimized planar quasi antenna offers 5% bandwidth in both operating bands with a measured gain of 5.7 and 5.8 dBi, respectively. The optimization time is also considerably reduced in comparison with traditional optimization algorithms. The simulated and optimized antenna is fabricated and tested.
Preprocessing for segment routing optimization
Authors: Callebaut Hugo , De Boeck Jérôme , Fortz Bernard
Published: July 2023

In this article we introduce a preprocessing technique to solve the Segment Routing Traffic Engineering Problem optimally using significantly fewer computational resources than previously introduced methods. Segment routing is a recently developed interior gateway routing protocol to be used on top of existing protocols that introduces more flexibility in traffic engineering. In practice, segment routing allows to deviate traffic from its original path by specifying a list of intermediate nodes or links, called segments, to visit before going to its destination. The issue we tackle in this article is that the number of segment paths scales exponentially with the maximum number of segments allowed leading to scalability issues in mathematical formulations. This article introduces the notion of dominated segment paths, these are paths that can be eliminated from the solution space when searching for an optimal solution. We propose a dynamic programming algorithm eliminating dominated paths for any number of segments. Numerical results show that respectively 50%, 90%, and 97% of paths are dominated when considering up to 2, 3, and 4 segments on benchmark network topologies.
How does the use of a recycled polypropylene matrix influence the performance of flax/polypropylene composites compared to a virgin matrix?
Authors: Mattlet Agnès , Sicot Olivier , Aivazzadeh Shahram , Catania Florian , van Schoors Laetitia
Published: July 2023

When manufacturing unidirectional flax/thermoplastic composites by thermocompression, the intrinsic characteristics of the matrix can potentially influence the properties of the composite. The objective of this study is to determine the impact of recycled matrix on the performance of flax/MAPP/PP composite. In this work, three PP matrices, one virgin and two recycled, were used in the manufacture of flax/MAPP/PP composites. By a multi‐scale analysis of the three PP matrices, their characteristics influencing the quality of the composite could be identified. It appears that the length of the polymer chains changes the quality of the interface as a short chain length leads to poor entanglement of PP with MAPP. Additionally, high viscosity lowered dispersion of fiber bundles, however it could be corrected by modifying the process pressure. Finally, the presence of a small amount of PE, as is common in recycled PP, has no significant effect on the mechanical properties of composites.
Co‐crystallization behaviors and thermo‐physical properties of SSPCM consisting of an extra low melt viscosity HDPE and paraffin waxes
Authors: Mu Mulan
Published: July 2023

Shape stabilized phase change materials (SSPCMs) consisting of an extra low melt viscosity high‐density polyethylene (lv‐HDPE) and paraffin waxes (PW) were fabricated using a twin screw extruder. Thermal and mechanical properties of these composites were assessed. The latent heats (ΔH) of the SSPCMs fabricated were up to 78 J g−1. Co‐crystallization between lv‐HDPE and paraffin waxes increased with increasing wax content. Dynamic mechanical thermal analysis confirmed the paraffin wax having a higher melting point (H‐PW, Tm ranging from 56 to 58°C) plasticized the lv‐HDPE, decreasing both its crystalline content and melting temperature. Static mechanical testing, disregarding the form of deformation (tension, flexural, and compression), showed addition of paraffin waxes resulted in a diminution of all mechanical properties of lv‐HDPE, but the properties of the composites with H‐PW were good in comparison to those with a lower melting point wax (L‐PW, Tm ranging from 18 to 23°C). Evidences from Cole–Cole plots obtained from oscillatory rheology experiments showed there was no interaction between lv‐HDPE and H‐PW, inducing a heterogeneous blend in contrast to the more homogeneous lv‐HDPE/L‐PW composites.
A novel strategy for preparing ethylene‐vinyl acetate composites with high effective flame retardant and smoke suppression performance by incorporating piperazine pyrophosphate and Ce‐MOF
Authors: Jiang Siyu , Li Sheng , Yang Xuhui , Liu Lubin , Li Xiaoli , Xu Miaojun
Published: July 2023

Cerium‐containing metal organic framework defined as Ce‐MOF was prepared and then combined with piperazine pyrophosphate (PAPP) for preparing flame retardant ethylene vinyl acetate (EVA) copolymer composites. The samples of EVA/PAPP/Ce‐MOF achieved UL‐94 V‐0 rating with the limiting oxygen index (LOI) value of 31.3% when 17 wt% PAPP/Ce‐MOF with the mass fraction of 97:3 was introduced. Under the same loading amount of PAPP, the EVA/PAPP only obtained UL‐94 V‐1 rating with the LOI value of 26.9%. Cone calorimeter test confirmed that the total heat release and total smoke production of EVA/PAPP/Ce‐MOF significantly reduced from 132.8 MJ m−2 and 11.5 m2 for EVA/PAPP to 98.8 MJ m−2 and 7.3 m2, with a reduction of 25.6% and 36.5%, respectively. Besides, the maximum smoke density decreased from 488.8 and 375.9 for EVA and EVA/PAPP to 177.5 for EVA/PAPP/Ce‐MOF. It indicated that the addition of Ce‐MOF and PAPP effectively exerted synergistic flame retardant and smoke inhibition effect for EVA. Moreover, the addition of Ce‐MOF enhanced the compatibility of PAPP with EVA matrix, and water resistance of EVA/PAPP/Ce‐MOF was higher than that of EVA/PAPP. The x‐ray photoelectron spectroscopy texts of residual char of EVA composites indicated that the cerium ion complexed with phosphoric acid and polyphosphate generated by the thermal decomposition of PAPP and then more phosphorus elements remained in condensed phase. As a result, the sufficient, crosslinking and dense char layer with excellent intensity was formed, and the heat, combustible gas and smoke were efficiently inhibited. Consequently, the EVA materials were endowed excellent fire safety as well as low heat and smoke release.
Macroporous fibers electrospun from dual‐good solvent system
Authors: Chen Fang‐Ting , Chang Kai‐Pin , Liao Yi‐Cheng , Tung Shih‐Huang
Published: July 2023

The polymer/solvent/nonsolvent ternary solutions have been previously used for fabricating electrospun macroporous fibers, in which the nonsolvent was expected to induce a liquid–liquid phase separation that leads to formation of pores after drying. In this study, we demonstrate that the poly(styrene‐co‐acrylonitrile) (SAN)/chlorobenzene (CB)/dimethyl sulfoxide (DMSO) system can be successfully electrospun into highly uniform macroporous fibers with pore size >50 nm at CB/DMSO volume ratio ~7/3 though both CB and DMSO are good solvents to SAN. The results imply that a premixed nonsolvent is not necessary for the formation of macropores. We find that it is the water droplets condensed from the atmosphere that work as the nucleation sites to trigger the phase separation while water‐miscible DMSO plays a supporting role to expand the solvent‐rich phase and the resultant pore size. Instead of solvent quality, the distinct volatilities and water miscibilities of the solvents are the keys. The macropores throughout the fibers provide high surface areas and large openings on surface such that the fibers show a significant improvement in oil adsorption capacity in comparison to the smooth and mesoporous ones.
ConquerFear‐Group: A randomized controlled trial of an online‐delivered group‐based psychological intervention for fear of cancer recurrence in breast cancer survivors
Authors: Tauber Nina M. , O’Toole Mia S. , Jensen Anders B. , Butow Phyllis N. , Thewes Belinda , Elkjær Emma , Knutzen Sofie , von Heymann Annika , Johansen Christoffer , Zachariae Robert
Published: July 2023

Objective

Fear of cancer recurrence (FCR) is a distressing concern among cancer survivors. Interventions to address FCR need to be effective but also accessible and low cost. This randomized controlled trial evaluated the efficacy of an online group‐based psychological intervention for FCR (ConquerFear‐Group).

Methods

Eligible breast cancer (BC) survivors had completed primary treatment 3 months–5 years previously, were ≥18 years, and scored ≥22 on the Fear of Cancer Recurrence Inventory–Short Form (FCRI‐SF). Participants were randomized to online ConquerFear‐Group (focusing on metacognitive strategies, values‐clarification, and education about follow‐up behavior) or online group‐based relaxation training (active control). Questionnaires were completed at baseline (T1), 1 week post‐intervention (T2), three (T3) and six (T4) months later. The primary outcome was FCR (FCRI total). A number of secondary and process outcomes were also collected. Treatment effects were evaluated with mixed linear models.

Results

Of 866 eligible BC survivors, 475 (55%) completed the FCR screening, and 85 (18%) were randomized to ConquerFear‐Group or relaxation training (2 × 6 groups). Compared with control participants, ConquerFear‐Group participants experienced larger reductions in FCR (Cohen's d = 0.47, p = 0.001) and FCR severity (d = 0.57, p < 0.001), as well as mindfulness and decentering from baseline through follow‐up, and improvements in emotion regulation (T2), worry (T2, T3) and rumination (T2) at some time points.

Conclusions

The results demonstrated statistically significant and stable effects of ConquerFear‐Group on FCR that were maintained over a 6‐month period. It is suggested to investigate the program in a real‐life setting, where a pragmatic trial can further demonstrate feasibility and effectiveness.
The brown planthopper NlDHRS11 is involved in the detoxification of rice secondary compounds
Authors: Yang Jun , Yan Shu‐Ying , Li Guo‐Cheng , Guo Hao , Tang Rui , Ma Ruiyan , Cai Qing‐Nian
Published: July 2023

BACKGROUND

The brown planthopper (Nilaparvata lugens, BPH) is the most destructive serious pest in rice production. Resistant varieties are effective means to defend against BPH, but the impact of the ingestion of resistant rice on BPH transcriptional regulation is still unclear. Here, we explore the molecular basis of the regulation by BPH feeding on resistant rice.

RESULTS

BPH nymphs preferentially selected susceptible rice TN1 at 24 h after release in a choice test. Feeding on resistant rice IR56 under nonselective conditions increased mortality, decreased growth rate, and prolonged the molting time of BPH. Transcriptomic sequencing revealed 38 dysregulated genes, including 31 down‐regulated and seven up‐regulated genes in BPH feeding on resistant rice for 7 days compared with feeding on susceptible rice TN1. These genes were mainly involved in the pathways of growth and development, metabolism, energy synthesis, and transport. Finally, we showed that the toxicities of rice defensive compounds to BPH were dose‐dependent, and silencing of the BPH gene dehydrogenase/reductase SDR family member 11 (NlDHRS11) increased sensibility to the rice secondary compounds ferulic acid and resorcinol.

CONCLUSION

The adaption of BPH feeding on resistant rice is orchestrated by dynamically regulating gene expressions, and NlDHRS11 is a gene involved in the detoxification of plant defensive chemicals. The current work provides new insights into the interaction between insects and plants, and will help to develop novel BPH control strategies. © 2023 Society of Chemical Industry.
Effect of soil organic matter on sorption of water vapor and associated hysteresis
Authors: Song Xue , Chen Chong , Arthur Emmanuel , Tuller Markus , Zhou Hu , Shang Jianying , Hu Kelin
Published: July 2023

In‐depth knowledge about the impact of organic matter (OM) on soil water vapor sorption (SWVS) and associated hysteresis related to various water activity (aw) levels is limited. The objective of this study was to elucidate the effect of OM on SWVS and sorption hysteresis for different aw levels. We measured water sorption isotherms and physicochemical properties of eight soils with varying clay (6%–47%) and OM (2.0%–7.8%) contents before and after OM removal. In general, OM increased SWVS, but the effect of OM on SWVS varied for different aw ranges. The presence of OM generally increased water vapor sorption during the adsorption process. For soils with OM content above 4.6%, the presence of OM decreased water vapor sorption during the condensation process. The local hysteresis (Hw) of soils with OM was higher than that of soils without OM for soils with OM contents above 3.4%. For aw < ∼0.75, the water vapor sorption hysteresis of soils with and without OM showed a significant correlation with cation exchange capacity (CEC), and the Hw values of soils with OM were lower than that of soils without OM for the same CEC. The OM can affect water vapor sorption and the associated hysteresis at low aw levels through adsorbed cations and organic functional groups, and at high aw levels through the structures of pores and OM.
Community resilience implications for institutional response under uncertainty: Cases of the floods in Wayanad, India and the earthquake in Port‐au‐Prince, Haiti
Authors: Koshy Mrudhula , Smith David
Published: July 2023

While trajectories of community resourcefulness, solidarity, and mutual trust during and following environmental crises are abound in the literature, how these trajectories are taken into consideration and influences spatial planners, humanitarians and decision makers working under uncertainty remains under documented. Our article explores the concept of community resilience in action to illustrate where community resilience in action is supported, hindered or ignored by the state and non‐state organizations. Through an inductive epistemological approach, it draws examples from the exploratory fieldwork of two case studies and interviews in settlements in developmental contexts where the inhabitants, built environments and livelihoods have been severely affected following a hazardous event. Using observations and testimonies from Wayanad, a hill district in India affected by heavy monsoon floods in 2018 and 2019, and from marketplaces in Port‐au‐Prince, Haiti, following the 2010 earthquake, the article discusses how understandings of community resilience in action in post‐disaster developmental contexts could contribute to enhancing institutional responses under uncertainty.
A first principles study on the catalytic performance of methylcyclohexane dehydrogenation on a monoatomic catalyst
Authors: Zulaehah Siti , Saputra Eqwar , Jonuarti Riri , Cahyanto Wahyu Tri
Published: July 2023

This research explores how methylcyclohexane (MCH) interacts with individual metal atoms M (M= Pt, Pd, and Cu) based on density functional theory (DFT) total energy calculations. We analyzed the adsorption energies of MCH on these metal atoms to understand their stability and reactivity. The results show that MCH prefers to attach to single Pt atoms, which exhibited the strongest adsorption energy. Compared with Pt(111) surfaces, the adsorption energies on Pt atoms were slightly higher, indicating enhanced stability at the nanoscale. Adsorption on Pd and Cu atoms resulted in lower adsorption energies than on Pt. We also focused on the initial step of dehydrogenation, where we studied the removal of one hydrogen atom (H1) from MCH. The presence of a single metal atom significantly lowered the energy required for breaking the C1–H1 bond, with Pt showing the lowest energy barrier compared with Pd and Cu due to the excessive of charge transfer. We analyzed the electronic properties and charge transfer during dehydrogenation, revealing the influence of the metal atom's electronic structure on catalytic behavior. Overall, this research provides valuable insights into how MCH interacts with monoatomic metal catalysts, emphasizing the role of the metal atom's electronic configuration in determining reactivity.
Boron Dopant Modulated Electron Localization of Tin Oxide for Efficient Electrochemical CO2 Reduction to Formate
Authors: Zhong Xiaohui , Yang Tingting , Liang Shujie , Zhong Zuqi , Deng Hong
Published: July 2023

Sn‐based electrocatalysts have great economic potential in the reduction of CO2 to HCOOH, while they still suffer from low current density, dissatisfactory selectivity, and poor stability. Inspired by electronic modification engineering, boron‐doped SnO2 nanospheres (B‐SnO2) are successfully synthesized to achieve high‐efficiency CO2 reduction reaction (CO2RR). It is found that the introduction of boron dopants can increase the number of active sites and facilitate the formation of the electron‐rich Sn sites in its structure, thus enhancing the activation of CO2 molecules and reducing the energy barrier of *OCHO intermediates on the SnO2 surface. Thus, the B‐doped SnO2 electrocatalyst exhibits a remarkable FEHCOOH above 90% within a broad potential window of −0.7 to −1.3 V versus reversible hydrogen electrode (RHE) (600 mV) and obtains the maximum value of 95.1% (the partial current density of HCOOH is 42.35 mA cm−2) at −1 V versus RHE. In conclusion, this work provides a novel strategy for optimizing the intrinsic properties of electrocatalysts for CO2RR by the method of tuning the electronic structure.