bluuebunny/crossref_metadata_2025 huggingface dataset:
Prediction and experimental evidence of the optimisation of the angular branching process in the thallus growth of Podospora anserina
Authors: Ledoux Clara , Chapeland-Leclerc Florence , Ruprich-Robert Gwenaël , Bobée Cécilia , Lalanne Christophe , Herbert Éric , David Pascal
Published: July 2022

Based upon apical growth and hyphal branching, the two main processes that drive the growth pattern of a fungal network, we propose here a two-dimensions simulation based on a binary-tree modelling allowing us to extract the main characteristics of a generic thallus growth. In particular, we showed that, in a homogeneous environment, the fungal growth can be optimized for exploration and exploitation of its surroundings with a specific angular distribution of apical branching. Two complementary methods of extracting angle values have been used to confront the result of the simulation with experimental data obtained from the thallus growth of the saprophytic filamentous fungus Podospora anserina. Finally, we propose here a validated model that, while being computationally low-cost, is powerful enough to test quickly multiple conditions and constraints. It will allow in future works to deepen the characterization of the growth dynamic of fungal network, in addition to laboratory experiments, that could be sometimes expensive, tedious or of limited scope.
Exploring the association between microbiota and behaviour in suckling piglets
Authors: Choudhury R. , Middelkoop A. , Bolhuis J. E. , Kleerebezem M.
Published: July 2022

It is increasingly recognised that the microbes residing in the gastrointestinal tract can influence brain physiology and behaviour, via the microbiota–gut–brain axis. Here, we made a first explorative evaluation at the association between the gut microbiota and behaviour in suckling piglets. 16S microbiota profiling information was obtained from two independent replicate experiments at 2 and 4 weeks of age. Piglets underwent a backtest to assess their personality or coping style at 2 weeks of age, and were subjected to a combined open field and novel object test at 3.5 weeks of age, recording anxiety-related and exploratory behaviour. The number of squeals vocalised during the open field test was associated with microbial groups such as Coprococcus 3 and CAG-873, whereas in the novel object test, explorative behaviour was significantly associated with microbial genera like Atopobium and Prevotella. Overall, this study explores the microbiota-behavioural relation by employing multivariate analysis and exemplifies the importance of individualised analyses when evaluating such relationships.
Efficacy of interventions for suicide and self-injury in children and adolescents: a meta-analysis
Authors: Harris Lauren M. , Huang Xieyining , Funsch Kensie M. , Fox Kathryn R. , Ribeiro Jessica D.
Published: July 2022

Despite increased numbers of children and adolescents seeking and receiving mental health treatment, rates of self-injurious thoughts and behaviors (SITBs) in youth are rising. In the hopes of aiding ongoing efforts to alleviate the burden of SITBs in this vulnerable population, the present study summarizes current knowledge on the efficacy of SITB interventions in children and adolescents. We conducted a meta-analysis of randomized controlled trials (RCTs) assessing treatment effects on SITBs in child and adolescent populations. A total of 112 articles comprising 558 effect sizes were included in analyses. Nearly all interventions produced nonsignificant reductions in SITBs. For binary SITB outcomes, a nonsignificant treatment effect was detected, with an RR of 1.06 (95% CIs [0.99, 1.14]). For continuous SITB outcomes, analyses also yielded a nonsignificant treatment effect (g = − 0.04 [− 0.12, 0.05]). These patterns were largely consistent across SITB outcomes, regardless of intervention type, treatment components, sample and study characteristics, and publication year. Our findings highlight opportunities for improving SITB intervention development and implementation in child and adolescent populations. The most efficacious interventions are likely to directly target the causes of SITBs; therefore, future research is needed to identify the causal processes underlying the onset and maintenance of SITBs in youth.
Comparative host–pathogen associations of Snake Fungal Disease in sympatric species of water snakes (Nerodia)
Authors: Harding Stephen F. , Becker C. Guilherme , Yates Jessica R. , Crump Paul , Forstner Michael R. J. , Mullin Stephen J. , Rodriguez David
Published: July 2022

The ascomycete fungus Ophidiomyces ophiodiicola (Oo) is the causative agent of ophidiomycosis (Snake Fungal Disease), which has been detected globally. However, surveillance efforts in the central U.S., specifically Texas, have been minimal. The threatened and rare Brazos water snake (Nerodia harteri harteri) is one of the most range restricted snakes in the U.S. and is sympatric with two wide-ranging congeners, Nerodiaerythrogaster transversa and Nerodiarhombifer, in north central Texas; thus, providing an opportunity to test comparative host–pathogen associations in this system. To accomplish this, we surveyed a portion of the Brazos river drainage (~ 400 river km) over 29 months and tested 150 Nerodia individuals for the presence of Oo via quantitative PCR and recorded any potential signs of Oo infection. We found Oo was distributed across the entire range of N. h. harteri, Oo prevalence was 46% overall, and there was a significant association between Oo occurrence and signs of infection in our sample. Models indicated adults had a higher probability of Oo infection than juveniles and subadults, and adult N. h. harteri had a higher probability of infection than adult N. rhombifer but not higher than adult N. e. transversa. High Oo prevalence estimates (94.4%) in adult N. h. harteri has implications for their conservation and management owing to their patchy distribution, comparatively low genetic diversity, and threats from anthropogenic habitat modification.
Genome-wide CRISPR screen for HSV-1 host factors reveals PAPSS1 contributes to heparan sulfate synthesis
Authors: Suzuki Takeshi , Sato Yoshitaka , Okuno Yusuke , Goshima Fumi , Mikami Tadahisa , Umeda Miki , Murata Takayuki , Watanabe Takahiro , Watashi Koichi , Wakita Takaji , Kitagawa Hiroshi , Kimura Hiroshi
Published: July 2022

Herpes simplex virus type 1 (HSV-1) is a ubiquitous pathogen that causes various diseases in humans, ranging from common mucocutaneous lesions to severe life-threatening encephalitis. However, our understanding of the interaction between HSV-1 and human host factors remains incomplete. Here, to identify the host factors for HSV-1 infection, we performed a human genome-wide CRISPR screen using near-haploid HAP1 cells, in which gene knockout (KO) could be efficiently achieved. Along with several already known host factors, we identified 3′-phosphoadenosine 5′-phosphosulfate synthase 1 (PAPSS1) as a host factor for HSV-1 infection. The KO of PAPSS1 in HAP1 cells reduced heparan sulfate (HepS) expression, consequently diminishing the binding of HSV-1 and several other HepS-dependent viruses (such as HSV-2, hepatitis B virus, and a human seasonal coronavirus). Hence, our findings provide further insights into the host factor requirements for HSV-1 infection and HepS biosynthesis.
TiO2@MOF-919(Fe–Cu) as a sorbent for the extraction of benzoylurea pesticides from irrigation water and fruit juices
Authors: Mei Ling , Si Tiantian , Wang Shuai , Zhu Jie , Tang Hao , Liang Xiaojing
Published: July 2022

The TiO2@MOF-919(Fe–Cu) solid-phase extraction material was prepared by growing MOF-919(Fe–Cu) in situ on three-dimensional radial TiO2 microspheres by a simple solvothermal method.
Reinforcing hydrogels with in situ formed amorphous CaCO3
Authors: Du Huachuan , Yuan Tianyu , Zhao Ran , Hirsch Matteo , Kessler Michael , Amstad Esther
Published: July 2022

We introduce hydrogels within which we form CaCO3in situ to achieve a homogeneous distribution of the mineral. We demonstrate that the mechanical reinforcement is much higher if CaCO3 is amorphous compared to any of its crystalline polymorphs.
Engineering monodispersed 2 nm Sb2S3 particles embedded in a porphyrin-based MOF-derived mesoporous carbon network via an adsorption method to construct a high-performance sodium-ion battery anode
Authors: Zhao Shuya , Jia Hongna , Wang Yao , Ju Na , Zhang Xinyue , Guo Ying , Wang Yiming , Wang Haipeng , Niu Suyan , Lu Yanming , Zhu Lin , Sun Hong-bin
Published: July 2022

2 nm Sb2S3 particles embedded in a mesoporous carbon framework by an adsorption method to construct a high performance anode material.
Characterization of the nitrogen-transforming microbial community in the biofilms of a full-scale rotating biological contactor system treating wastewater from a fresh market building
Authors: Sonthiphand Prinpida , Panthapa Chanon , Mhuantong Wuttichai , Charanaipayuk Nampetch , Homyok Pratamaporn , Limpiyakorn Tawan
Published: July 2022

Insights into core nitrogen-transforming microorganisms (e.g., nitrifiers, denitrifiers, and anammox) in a full-scale RBC system treating wastewater from a fresh market building were investigated.
Direct observation of the Mottness and p–d orbital hybridization in the epitaxial monolayer α-RuCl3
Authors: Wang Zhongjie , Liu Lu , Zheng Haoran , Zhao Meng , Yang Ke , Wang Chunzheng , Yang Fang , Wu Hua , Gao Chunlei
Published: July 2022

In this work, we grow and study the strained monolayer α-RuCl3 on graphene by MBE, STM and DFT calculations. The Mottness and the energy-resolved d–p hybridization, which underlie the mechanism of Kitaev physics, are clearly visualized and elaborated.
An organic-halide perovskite-based photo-assisted Li-ion battery for photoelectrochemical storage
Authors: Chen Yu , Chen Zhenyu , Zhang Xiang , Chen Jinsong , Wang Yaobing
Published: July 2022

Merging solar energy conversion and storage into a single device would improve the utilization of solar energy.
Access to cyclopentenonesviacopper-catalyzed 5-endotrifluoromethylcarbocyclization of ynones
Authors: Le Siya , Bai Yihui , Qiu Jiayan , Zhang Zuxiao , Zheng Hanliang , Zhu Gangguo
Published: July 2022

A copper-catalyzed 5-endo-selective trifluoromethylcarbocyclization of ynones is realized for the direct construction of trifluoromethylated cyclopentenones.
In situregeneration of copper catalysts for long-term electrochemical CO2reduction to multiple carbon products
Authors: Obasanjo Cornelius A. , Zeraati Ali Shayesteh , Shiran Hadi Shaker , Nguyen Tu N. , Sadaf Sharif Md. , Kibria Md Golam , Dinh Cao-Thang
Published: July 2022

We report anin situcatalyst regeneration strategy that can extend the operation time of Cu-based catalysts for electrochemical CO2reduction many times.
Marine polysaccharide-based electromagnetic absorbing/shielding materials: design principles, structure, and properties
Authors: Wang Honghan , An Qingda , Xiao Zuoyi , Tong Yao , Guo Lin , Zhai Shangru , Xiao Ling-Ping , Ha Chang-Sik
Published: July 2022

An investigation of design principles, preparation processes and structural properties is carried out to predict the development tendency of marine polysaccharide-based electromagnetic response materials which cater to the current targeted demands.
Bipolar single-component Sm3+-containing metallopolymers capable of multi-stimuli-responses
Authors: Liu Jiaxiang , Wang Baowen , Sun Yue , Lü Xingqiang , Fu Guorui , Liu Lin , Wong Wai-Yeung
Published: July 2022

By the molecular design of a bipolar single-component Sm3+-containing metallopolymer, its light/electricity stimuli white-light and visual sensing on Cu2+ ion, render Ln3+-containing metallopolymers a new platform to multi-stimuli-response materials.
Differential expression profile of mRNAs, lncRNAs, and circRNAs reveals potential molecular mechanism in breast cancer
Authors: Li Yuan , Lei Chiseng , Xie Yude , Zhang Jie , Wang Ningxia , He Weili , Qu Shaohua
Published: July 2022

In recent years, breast cancer attracts more and more attention because of its high incidence. To explore the molecular functions and mechanisms, we performed RNA sequencing on the tumor tissues and their paired normal tissues from three breast cancer patients. By differential expression analysis, we found 3764 differentially expressed (DE) mRNAs, 5416 DE lncRNAs, and 148 DE circRNAs. Enrichment analysis suggested that the DE lncRNAs and DE circRNAs were enriched in mitochondria and nucleus, which indicated that they may participate in the vital metabolism directly or indirectly, such as fatty acid metabolism. Subsequently, the protein–protein interaction (PPI) network was constructed and we got 8 key proteins, of which the matrix metalloproteinase-9 (MMP9; degree 5) draws our attention. Based on the 38 up-regulated circRNAs and 14 down-regulated circRNAs, we constructed competing endogenous RNA (ceRNA) networks, from which the has-miR-6794-5p has been identified to enriched in the up-regulated network and correlated with the circNFIX directly. At this point, we presented that the circNFIX and MMP9 may play a significant role by regulating fatty acid metabolism in breast cancer.
Weighted zigzag decodable fountain codes for unequal error protection
Authors: Zhang Yin , Zhao Yuli , Lau Francis C. M. , Zhang Bin , Zhu Zhiliang , Yu Hai
Published: July 2022

By combining bit‐shift and exclusive‐or operations, a weighted zigzag decodable fountain code is proposed to achieve an unequal error protection property. In the proposed scheme, the input symbols of different importance levels are first pre‐coded into variable nodes using low‐density parity‐check codes. Then, bit‐shift operations prior to exclusive‐or are performed on the non‐uniformly selected variable nodes to generate encoded symbols. An analysis of the erasure probabilities based on the and‐or tree is further introduced. Simulation results show that by appropriately choosing the maximum bit‐shift amount, the proposed weighted zigzag decodable fountain codes can successfully recover the more important input symbols prior to the less important ones.
Priority‐based resource allocation in wireless powered UAV‐assisted networks
Authors: Basharat Mehak , Naeem Muhammad , Anpalagan Alagan
Published: July 2022

Unmanned aerial vehicles (UAVs) can be deployed to combine terrestrial and aerial networks to provide flexible connectivity to a large number of devices in three‐dimensional (3D) space. Powering wireless devices through energy harvesting and wireless power transfer have been investigated to provide uninterrupted operations. Resource allocation is critical to improving the overall performance of the network. This paper focusses on a downlink network in which UAVs serve as base stations to provide connectivity to ground users. A priority‐based charging of UAVs from the ground charging stations needs to be efficiently designed for the sustainable operation of the overall network. A binary linear integer programming (BLIP) problem is formulated to minimise the charging cost and maximise the number of UAVs that can be charged by charging stations. First, the BLIP is transformed into a quadratic programming problem to solve it in polynomial time. A sequential quadratic programming algorithm is developed to solve the optimisation problem. Simulation results demonstrate the effectiveness of the proposed work compared to existing solutions.
Infarct Size and Long-Term Clinical Outcomes of Prasugrel versus Clopidogrel in Patients with Acute Coronary Syndrome Undergoing Coronary Artery Stenting: A Prospective Randomized Study
Authors: Yabe Takayuki , Noike Ryota , Okubo Ryo , Amano Hideo , Ikeda Takanori
Published: July 2022

The antiplatelet drug prasugrel inhibits platelet aggregation early after oral administration. This study examined whether prasugrel is effective in inhibiting infarct size and can reduce the incidence of major adverse cardiovascular events (MACE) in patients with acute coronary syndrome (ACS). This study was a single-center, prospective, randomized pilot study. Among 80 ACS patients treated at our institution between August 2014 and September 2015, 76 ACS patients who underwent stenting and achieved thrombolysis in myocardial infarction flow grade 3 were assigned to receive aspirin plus prasugrel (prasugrel group; n = 37) or aspirin plus clopidogrel (clopidogrel group; n = 39). The primary endpoint was survival free of MACE. The secondary endpoint was the evaluation of infarct size defined as the area under the curve (AUC) of troponin I, calculated using the linear trapezoidal method. During follow-up (mean, 1262.4 ± 599.6 days), 14 patients showed MACE. No significant differences in CYP2C19 genotype were seen between groups. AUC of troponin I up to 72 hours after intervention tended to be smaller in the prasugrel group (1,927.1 ± 2,189.3 ng/mL) than in the clopidogrel group (3,186.0 ± 3,760.1 ng/mL, p = 0.08). Cumulative incidence of MACE was significantly higher in the clopidogrel group (log-rank test; p = 0.02). Compared with clopidogrel, prasugrel was associated with reduced infarct size and lower frequency of long-term outcomes among ACS patients undergoing stenting.
Challenges in Type-1 Diabetes Management during the Conflict in Syria
Authors: Alali Ibrahim , Afandi Bachar
Published: July 2022

Background In Syria, a country at war for one decade, medical care has been severely affected by shortages in medications, resources, food, and physicians.

Objectives This study reviews the quality of care for patients with type-1 diabetes (T1D) receiving treatment in a private endocrinology service in Raqqa City, Syria.

Patients and Method A cross-sectional medical record review for patients with T1D followed-up at a private clinic run by a certified endocrinologist in Raqqa, Syria. All medical records were evaluated for patients' characteristics and multiple diabetes care indicators.

Results One hundred and ninety-seven patients with T1D were evaluated; 109 (55.3%) patients were females. The median age of participants was 16 (1.7–42) years, median duration of diabetes was 4 (0–27) years, and mean hemoglobin was A1C, 9.1% (8.7–9.5%). One hundred and twenty-five (63.5%) patients used premixed insulin. Eighty-one (42.4%) patients performed regular self-monitoring of blood glucose (SMBG) at least twice daily. Episodes of hypoglycemia and diabetic ketoacidosis (DKA) were reported in 62.4 and 54.4% of patients, respectively. There were significant correlations between the incidence of DKA and female gender and premixed insulin regimens.

Conclusion In this private endocrine practice in Raqqa City, Syria, the majority of patients are treated with premixed insulin. Only a minority have their glycosylated A1c monitored regularly. Our unprivileged population is poorly controlled with increased risk of hypoglycemia and admissions with diabetic ketoacidosis.
Ramadan Fasting and Diabetes (2021): The Year in Review
Authors: Beshyah Salem A. , Hafidh Khadija , Kenz Sami , Elmehdawi Rafik R. , Mohamed Gaman , Eledrisi Mohsen
Published: July 2022

Introduction The literature on the impact of Ramadan fasting (RF) on diabetes is widely spread in many journals. This makes it not readily accessible to those interested in the subject. We aimed to provide a narrative overview of the global literature production in 1 year (2021) on diabetes and RF.

Materials and Methods This was a narrative, nonsystematic review of the international literature from a single major medical online database (i.e., PubMed) during the year 2021. The search term “Ramadan fasting AND Diabetes” was used, and the relevant literature was narrated in a concise thematic account.

Results The publications spanned a vast array of topics related to diabetes and RF, including epidemiology, assessments of safety and efficacy profiles of older and newer diabetes therapies, hypoglycemia, diabetes education, use of advanced technology for the treatment, and monitoring and impact on pregnancy. Some reports covered the interaction of Ramadan and the novel coronavirus disease 2019 (COVID-19) in relationship to diabetes. Professional concerns, patients' perspectives, and telemedicine's role in RF were also addressed.

Conclusion The current narration presents this year's literature on the safety of fasting practices, care models, and patients' experiences and perspectives. Work should continue on comprehensive assessments for the interplay of diabetes and RF under different settings. Particular attention should focus on the roles of newer antidiabetic medicines and advanced technology for safer fasting practices.
Pediatric Diabetes Services in Arab Countries during the First 6 Months of the COVID-19 Pandemic
Authors: Alsaffar Hussain , Abdullah Wasnaa H. , Hasan Khadija A. , Yazidi Laila S. Al
Published: July 2022

Introduction The novel coronavirus disease 2019 (COVID-19) pandemic had an impact on different health services due to the lockdowns, curfews, or reducing provision of some clinical services to infection control.

Aims This study looked at the impact of the pandemic on the pediatric diabetes services in Arab countries during the first 6 months of pandemic.

Methods and Material An online survey using SurveyMonkey was e-mailed to the pediatric endocrine consultants practicing in Arab countries. The survey was active for the last 2 weeks of August 2020.

Results Responses received from 34 consultants. Most responses were from Saudi Arabia, Iraq, and Oman. 18% of consultants have more than 500 pediatric patients with type-1 diabetes mellitus (T1DM) under each of their care. A quarter of responding consultants had suspended their clinics completely during the pandemic period. The median number of children live with diabetes used to be seen in diabetes clinics has dropped significantly from 22 to only 4 patients per week during the pandemic. Half of respondents fed back those virtual clinics were useful. The number of elective and urgent admissions during the studied period were less than before the pandemic. A total of 17.6% of responders reported an increased incidence of Diabetic Ketoacidosis (DKA) during the pandemic. Also, 36.4% thought the research activity had markedly decreased during the COVID-19 pandemic.

Conclusion The pandemic has led to reducing the number of patients attending the diabetes clinic in Arab countries. However, virtual clinics and tele-consultations emerged evidently during the pandemic. It is expected to continue using the virtual clinics when the pandemic is over.
Prolapsing Left Atrial Mass Presenting as Syncope
Authors: Pathare Presheet , Weyand Michael , Heim Christian
Published: July 2022

Background Myxomas are the most common primary cardiac tumor in adults and are most commonly found within the left atrium. These are usually asymptomatic, detected incidentally, or present gradually with symptoms typical of heart failure.

Case Description This case report is a description of a case of syncope caused by a large left atrial myxoma.

Conclusion Atrial myxomas may present with transient loss of consciousness, especially when they prolapse through the atrioventricular valves or when embolization occurs. Non-invasive diagnostic tools (e.g., echocardiogram, cardiac computed tomography) should be considered to thoroughly evaluate cardiogenic causes of syncope.
The Diagnostic Accuracy of 18F-FGD-PET/CT for Cancer of the Gallbladder: A Retrospective Study
Authors: Pericleous Stephanos , Doran Sophie L. F. , Wotherspoon Andrew , Terlizzo Monica , Riddell Angela , Brown Gina , Shur Joshua , Chua Sue , Hujairi Nabil , Middleton Nicos , Cunningham David , Kumar Sacheen , Bhogal Ricky H.
Published: July 2022

Background Gallbladder cancer has a poor prognosis and imaging can have variable diagnostic accuracy. We assessed the ability of preoperative 18F-fluorodeoxyglucose positron emission tomography computed tomography (18F-FDG-PET/CT) imaging to predict a postoperative histological diagnosis of gallbladder cancer.

Method A retrospective analysis was undertaken in a cohort of patients, who had suspected gallbladder cancer on cross-sectional imaging and that underwent preoperative FDG-PET/CT scan. The discriminatory power of FDG-PET/CT was determined in receiver operator characteristic (ROC) analysis and diagnostic accuracy parameters were estimated at different thresholds of maximum standard unit value (SUVmax).

Results Twenty-two patients were included in the study; 7 had malignant and 15 benign diagnoses. There was no statistically significant difference between the measured SUVmax between the two groups (p = 0.71). With an area under the curve of 0.486, the ROC curve did not indicate any discriminatory power of FDG-PET/CT at any potential threshold of SUVmax.

Conclusion This study indicates that the diagnosis of primary gallbladder cancer cannot be accurately confirmed with FDG PET/CT scanning.
Detection of Traumatic and Postoperative Nerve Lesions following Upper Extremity Fractures in a Pediatric Cohort Using MR Neurography
Authors: Sondermann Stefan , Bäumer Tobias , Suss Joachim , Bohn Boy , Fieseler Katharina , Schramm Peter , Tueshaus Ludger , Boppel Tobias
Published: July 2022

Introduction Fractures of the upper extremity are common traumatic injuries in children. Nerve lesions are a rare but typical complication of these fractures. Additional to physical, electrophysiological, and sonographic examinations, magnetic resonance neurography (MRN) can be used to assess the degree and exact localization of nerve damage. This retrospective study was conducted to evaluate the potential role of this examination technique for children and to test a proposed MRN classification of traumatic nerve injury according to Chhabra in a pediatric cohort.

Materials and Methods Pediatric patients undergoing MRN for traumatic nerve injury from January 2016 to December 2020 were retrospectively identified. A total of 12 consecutive patients with sufficient clinical data, an MRN, and if available follow-up examination were enrolled and analyzed.

Results In 10 of 12 cases one or more nerve lesions could be identified by MRN using the classification proposed by Chhabra et al. MRN was used to assess nerve injuries, imaging results were compared with clinical course. Clinical follow-up examinations of 10 patients showed an overall good clinical recovery, even in one case with severe trauma and nerve surgery.

Conclusion MRN as a noninvasive procedure can help in the evaluation of nerve injury, especially for the identification of lower grade nerve damage and to objectify suspected nerve damage in case of uncertain clinical examination results; thus, can help in decision making whether surgical revision or conservative treatment is preferable.
Understanding and predicting the spread of Omicron
Authors: Green Leigh Ann
Published: July 2022

Refined epidemiological model forecasts new cases of the COVID-19 Omicron variant
Metallic delafossite thin films for unique device applications
Authors: Harada Takayuki , Okada Yoshinori
Published: July 2022

Metallic delafossites (ABO2) are layered oxides with quasi-two-dimensional conduction layers. Metallic delafossites are among the most conducting materials with the in-plane conductivity comparable with that of elemental metals. In this Perspective, we will discuss basic properties and future research prospects of metallic delafossites, mainly focusing on thin films and heterostructures. We exemplify the fascinating properties of these compounds, such as high conductivity and surface polarity, and discuss how it can be utilized in thin films and heterostructures.
Probing electronic dead layers in homoepitaxial n-SrTiO3(001) films
Authors: Chambers S. A. , Lee D. , Yang Z. , Huang Y. , Samarakoon W. , Zhou H. , Sushko P. V. , Truttmann T. K. , Wangoh L. W. , Lee T.-L. , Gabel J. , Jalan B.
Published: July 2022

We combine state-of-the-art oxide epitaxial growth by hybrid molecular beam epitaxy with transport, x-ray photoemission, and surface diffraction, along with classical and first-principles quantum mechanical modeling to investigate the nuances of insulating layer formation in otherwise high-mobility homoepitaxial n-SrTiO3(001) films. Our analysis points to charge immobilization at the buried n-SrTiO3/undoped SrTiO3(001) interface as well as within the surface contamination layer resulting from air exposure as the drivers of electronic dead-layer formation. As Fermi level equilibration occurs at the surface and the buried interface, charge trapping reduces the sheet carrier density (n2D) and renders the n-STO film insulating if n2D falls below the critical value for the metal-to-insulator transition.
‘The border problems of science and philosophy’: Ilse Rosenthal-Schneider and post-World War 2 science in Australian academia and society
Authors: Helbig Daniela K. , O’Malley Maureen A.
Published: July 2022

Ilse Rosenthal-Schneider (1891–1990), a refugee immigrant to Australia in 1938, was a student of Nobel Prize-winning physicists, Einstein, Planck, and von Laue. She combined a background in physics, especially relativity theory, with a philosophical focus on the nature and possibilities of knowledge. As well as working at the University of Sydney to teach science students how to recognise philosophical issues in their subjects, she drove a major outreach programme to regional towns in New South Wales, where she was fêted by her audiences as a highly accomplished science communicator. Her best-known book, published in 1980, examined her interactions with Einstein, Planck, and von Laue by expanding on how all of them understood the relationship between science and philosophy. Rosenthal-Schneider never achieved a great deal of recognition, due in part to the limited opportunities for women of her era, but also due to her insistence on bridging disciplines and engaging in a scientific and philosophical dialogue beyond academia. We will show how Rosenthal-Schneider explored the borderlands of science and philosophy throughout her life, as she argued for the relevance of philosophical questions to practising scientists and non-academic publics in Australia.
Microscopic dynamics underlying the stress relaxation of arrested soft materials
Authors: Song Jake , Zhang Qingteng , de Quesada Felipe , Rizvi Mehedi H. , Tracy Joseph B. , Ilavsky Jan , Narayanan Suresh , Del Gado Emanuela , Leheny Robert L. , Holten-Andersen Niels , McKinley Gareth H.
Published: July 2022

Arrested soft materials such as gels and glasses exhibit a slow stress relaxation with a broad distribution of relaxation times in response to linear mechanical perturbations. Although this macroscopic stress relaxation is an essential feature in the application of arrested systems as structural materials, consumer products, foods, and biological materials, the microscopic origins of this relaxation remain poorly understood. Here, we elucidate the microscopic dynamics underlying the stress relaxation of such arrested soft materials under both quiescent and mechanically perturbed conditions through X-ray photon correlation spectroscopy. By studying the dynamics of a model associative gel system that undergoes dynamical arrest in the absence of aging effects, we show that the mean stress relaxation time measured from linear rheometry is directly correlated to the quiescent superdiffusive dynamics of the microscopic clusters, which are governed by a buildup of internal stresses during arrest. We also show that perturbing the system via small mechanical deformations can result in large intermittent fluctuations in the form of avalanches, which give rise to a broad non-Gaussian spectrum of relaxation modes at short times that is observed in stress relaxation measurements. These findings suggest that the linear viscoelastic stress relaxation in arrested soft materials may be governed by nonlinear phenomena involving an interplay of internal stress relaxations and perturbation-induced intermittent avalanches.
Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine
Authors: Singh Abhimanyu K. , De Wijngaert Brent , Bijnens Marc , Uyttersprot Kris , Nguyen Hoai , Martinez Sergio E. , Schols Dominique , Herdewijn Piet , Pannecouque Christophe , Arnold Eddy , Das Kalyan
Published: July 2022

Structures trapping a variety of functional and conformational states of HIV-1 reverse transcriptase (RT) have been determined by X-ray crystallography. These structures have played important roles in explaining the mechanisms of catalysis, inhibition, and drug resistance and in driving drug design. However, structures of several desired complexes of RT could not be obtained even after many crystallization or crystal soaking experiments. The ternary complexes of doravirine and rilpivirine with RT/DNA are such examples. Structural study of HIV-1 RT by single-particle cryo-electron microscopy (cryo-EM) has been challenging due to the enzyme’s relatively smaller size and higher flexibility. We optimized a protocol for rapid structure determination of RT complexes by cryo-EM and determined six structures of wild-type and E138K/M184I mutant RT/DNA in complexes with the nonnucleoside inhibitors rilpivirine, doravirine, and nevirapine. RT/DNA/rilpivirine and RT/DNA/doravirine complexes have structural differences between them and differ from the typical conformation of nonnucleoside RT inhibitor (NNRTI)–bound RT/double-stranded DNA (dsDNA), RT/RNA–DNA, and RT/dsRNA complexes; the primer grip in RT/DNA/doravirine and the YMDD motif in RT/DNA/rilpivirine have large shifts. The DNA primer 3′-end in the doravirine-bound structure is positioned at the active site, but the complex is in a nonproductive state. In the mutant RT/DNA/rilpivirine structure, I184 is stacked with the DNA such that their relative positioning can influence rilpivirine in the pocket. Simultaneously, E138K mutation opens the NNRTI-binding pocket entrance, potentially contributing to a faster rate of rilpivirine dissociation by E138K/M184I mutant RT, as reported by an earlier kinetic study. These structural differences have implications for understanding molecular mechanisms of drug resistance and for drug design.
Structural basis of mammalian complex IV inhibition by steroids
Authors: Di Trani Justin M. , Moe Agnes , Riepl Daniel , Saura Patricia , Kaila Ville R. I. , Brzezinski Peter , Rubinstein John L.
Published: July 2022

The mitochondrial electron transport chain maintains the proton motive force that powers adenosine triphosphate (ATP) synthesis. The energy for this process comes from oxidation of reduced nicotinamide adenine dinucleotide (NADH) and succinate, with the electrons from this oxidation passed via intermediate carriers to oxygen. Complex IV (CIV), the terminal oxidase, transfers electrons from the intermediate electron carrier cytochrome
c
to oxygen, contributing to the proton motive force in the process. Within CIV, protons move through the K and D pathways during turnover. The former is responsible for transferring two protons to the enzyme’s catalytic site upon its reduction, where they eventually combine with oxygen and electrons to form water. CIV is the main site for respiratory regulation, and although previous studies showed that steroid binding can regulate CIV activity, little is known about how this regulation occurs. Here, we characterize the interaction between CIV and steroids using a combination of kinetic experiments, structure determination, and molecular simulations. We show that molecules with a sterol moiety, such as glyco-diosgenin and cholesteryl hemisuccinate, reversibly inhibit CIV. Flash photolysis experiments probing the rapid equilibration of electrons within CIV demonstrate that binding of these molecules inhibits proton uptake through the K pathway. Single particle cryogenic electron microscopy (cryo-EM) of CIV with glyco-diosgenin reveals a previously undescribed steroid binding site adjacent to the K pathway, and molecular simulations suggest that the steroid binding modulates the conformational dynamics of key residues and proton transfer kinetics within this pathway. The binding pose of the sterol group sheds light on possible structural gating mechanisms in the CIV catalytic cycle.
Multiscale partial information decomposition of dynamic processes with short and long-range correlations: theory and application to cardiovascular control
Authors: Pinto Hélder , Pernice Riccardo , Eduarda Silva Maria , Javorka Michal , Faes Luca , Rocha Ana Paula
Published: July 2022

Objective.In this work, an analytical framework for the multiscale analysis of multivariate Gaussian processes is presented, whereby the computation of Partial Information Decomposition measures is achieved accounting for the simultaneous presence of short-term dynamics and long-range correlations.Approach.We consider physiological time series mapping the activity of the cardiac, vascular and respiratory systems in the field of Network Physiology. In this context, the multiscale representation of transfer entropy within the network of interactions among Systolic arterial pressure (S), respiration (R) and heart period (H), as well as the decomposition into unique, redundant and synergistic contributions, is obtained using a Vector AutoRegressive Fractionally Integrated (VARFI) framework for Gaussian processes. This novel approach allows to quantify the directed information flow accounting for the simultaneous presence of short-term dynamics and long-range correlations among the analyzed processes. Additionally, it provides analytical expressions for the computation of the information measures, by exploiting the theory of state space models. The approach is first illustrated in simulated VARFI processes and then applied to H, S and R time series measured in healthy subjects monitored at rest and during mental and postural stress.Main Results.We demonstrate the ability of the VARFI modeling approach to account for the coexistence of short-term and long-range correlations in the study of multivariate processes. Physiologically, we show that postural stress induces larger redundant and synergistic effects from S and R to H at short time scales, while mental stress induces larger information transfer from S to H at longer time scales, thus evidencing the different nature of the two stressors.Significance.The proposed methodology allows to extract useful information about the dependence of the information transfer on the balance between short-term and long-range correlations in coupled dynamical systems, which cannot be observed using standard methods that do not consider long-range correlations.
Pulse-width-dependent dynamic charge deposition on quartz dielectrics interacted with atmospheric pressure He plasma jet
Authors: Zhang Bo , Sun Yuhao , Han Wenhu , Zhao Hang , Wang Chenxu , Mu Haibao , Zhang Guanjun
Published: July 2022

Surface processing with atmospheric pressure plasma jet (APPJ) is attracting attention from both academia and industry for its capability of flexible plasma release onto targets. It is significant to understand the characteristics and mechanism of interfacial phenomenon in plasma surface interaction. This paper reports the fundamental surface charging phenomenon on quartz dielectrics by a He APPJ excited by μs-width pulses with duty ratios from 0.5% to 75%. The targeted quartz plate is attached to an electro-optic crystal grounded in the back for charge measurement. The evolution of surface charges is detected with a reflective-type optical measurement platform based on Pockels effect and the fast charge inversion on 2D-FTA. Results show that ionization waves and quartz dielectric interaction generates a round positive charge deposition, whose lifetime greatly depends on the pulse widths. Under a fixed pulse width, higher voltage magnitudes encourage more charges with a higher deposition rate. An interesting polarity reversal of surface charging occurs when the pulse width increases to over half-cycle, with a reduced positive charge on pulse-on and more negative charges on pulse-off. Efforts are devoted to exploring the mechanisms of charge maintenance on pulse-on and the polarity reversal under longer pulses of several hundred microseconds. These results reveal that the unchanged charge density in dark channel is due to the much lower rate of charge decay compared with the fast ionization wave propagation. The abrupt decrease at the falling edge results from the charge neutralization in the negative conductive channel formed by the secondary discharge. By measuring the initial evolution during the foremost 1000 periods, we prove that the accumulative difference in dissipated charges between pulse-on and pulse-off periods is the main cause of the occurrence of polarity reversal under long pulses. This study provides a more compatible tool for in-depth insight into the charging process of plasma interacting with multiple dielectrics, and exhibits a potential strategy of regulating surface charging by adjusting pulse parameters, which are of interest to the plasma community.
Climate nonlinearities: selection, uncertainty, projections, and damages
Authors: Cael B B , Britten G L , Mir Calafat F , Bloch-Johnson J , Stainforth D , Goodwin P
Published: July 2022

Climate projections are uncertain; this uncertainty is costly and impedes progress on climate policy. This uncertainty is primarily parametric (what numbers do we plug into our equations?), structural (what equations do we use in the first place?), and due to internal variability (natural variability intrinsic to the climate system). The former and latter are straightforward to characterise in principle, though may be computationally intensive for complex climate models. The second is more challenging to characterise and is therefore often ignored. We developed a Bayesian approach to quantify structural uncertainty in climate projections, using the idealised energy-balance model representations of climate physics that underpin many economists’ integrated assessment models (IAMs) (and therefore their policy recommendations). We define a model selection parameter, which switches on one of a suite of proposed climate nonlinearities and multidecadal climate feedbacks. We find that a model with a temperature-dependent climate feedback is most consistent with global mean surface temperature observations, but that the sign of the temperature-dependence is opposite of what Earth system models suggest. This difference of sign is likely due to the assumption tha the recent pattern effect can be represented as a temperature dependence. Moreover, models other than the most likely one contain a majority of the posterior probability, indicating that structural uncertainty is important for climate projections. Indeed, in projections using shared socioeconomic pathways similar to current emissions reductions targets, structural uncertainty dwarfs parametric uncertainty in temperature. Consequently, structural uncertainty dominates overall non-socioeconomic uncertainty in economic projections of climate change damages, as estimated from a simple temperature-to-damages calculation. These results indicate that considering structural uncertainty is crucial for IAMs in particular, and for climate projections in general.
Carbon nanomaterials for the treatment of water pollutant in the purpose of environmental remediation
Authors: Zghal S , Jedidi I , Cretin M , Cerneaux S , Abdelmouleh M
Published: July 2022

A porous graphite carbon/carbon nanotubes material was fabricated by a one-step process using ferrocene, as a catalyzing agent for carbon nanotubes (CNTs) growth, phenolic resin, avicel and graphite powder. SEM images demonstrated that CNTs were grown in different shapes, diameters and lengths. The ferrocene and avicel contents were drastically changed the surface properties of carbon materials. The as-prepared composites were tested as adsorbents of high interest for wastewater treatment for the removal of humic acid (HA) dissolved in aqueous solutions. Results confirmed that porous carbon materials are considered as promising materials acting both as adsorbent and cathode in the adsorption process for wastewater treatment containing natural organic matter.
BIM Digital twins environment to enhance construction process
Authors: Istanbullu A , Wamuziri S , Siddique M
Published: July 2022

Nowadays, the quality of life is mostly related to the quality of construction. Poor performance of construction project could be related to the poor quality of used construction materials but also to the unsuitable construction processes. BIM methodology adopted an innovative and more effective workflow in construction process. Benefits of BIM are widely recognized and documented including enhanced communication and collaboration between stakeholders, effective decision-making and monitoring, reduced construction cost and duration, etc. However, there is a lot of construction process related information outside of BIM methodology like ERP and building automation system. Digital Twins (DTs) contribute to smart construction through the integration of artificial intelligence, machine learning and data analytics. As construction projects are getting more complex and need more advanced and integrated tools to achieve economic and sustainability objectives, this work proposes a new construction system using the power of digital twins (DTs) and BIM to improve construction process. Genetic algorithm is used to optimize repetitive floor construction cycle. it is reasonable to expect a reduction of 25% of unused resources, which greatly improves site productivity and obtain better economic efficiency. In addition, the working and safety conditions of workers are improved since daily rates of working hours are balanced.
Synthesis and characterization of structural metal matrix composite using agricultural waste targeting for environmental sustainability
Authors: Radhakrishnan Ganesh
Published: July 2022

Coconut shell is one of the major agricultural wastes like rice husk, corn hub, groundnut shell etc., which can be found in abundance in various countries those have significant potential in agricultural sector. In the recent times, it has been found that these kind of agricultural wastes are effectively utilized by recycling them targeting for various engineering and scientific applications and in turn to achieve environmental sustainability. In the present study, the mechanical behavior of aluminum hybrid metal matrix composites reinforced with coconut shell ash (CSA) and silicon carbide is investigated. The composite specimens are fabricated by stir casting technique under normal atmospheric conditions with different weight fractions of reinforcements. The as cast specimens are heated to 500°C and maintained for four hours followed by normal cooling and subsequent aging at 170°C for two hours. Microstructural examination of the composites confirmed the uniform distribution of reinforcements and grain boundaries with no significant agglomeration. Properties such as mass density, hardness, and ultimate tensile strength are computed in order to appraise the mechanical behaviour of composites. The results revealed the fact that, with increasing the quantity of CSA in reinforcing phase, the ultimate tensile strength is increased and hardness is decreased. On the other side, the percentage of elongation is improved marginally and stiffness decreased. Inclusion of CSA offered significant influence on the mechanical behavior of Al-SiC-CSA hybrid composites. To some extent, AA 6061/CSA competes with AA 6061/SiCp in mechanical behavior rather than hybrid composites because of lack in both chemical and structural affinity between the reinforcements.