bluuebunny/crossref_metadata_2025 huggingface dataset:
Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake
Authors: Kyas Svetlana , Volpatto Diego , Saar Martin O. , Leal Allan M. M.
Published: January 2022

This work investigates the performance of the on-demand machine learning (ODML) algorithm introduced in Leal et al. (Transp. Porous Media133(2), 161–204, 2020) when applied to different reactive transport problems in heterogeneous porous media. This approach was devised to accelerate the computationally expensive geochemical reaction calculations in reactive transport simulations. We demonstrate that even with a strong heterogeneity present, the ODML algorithm speeds up these calculations by one to three orders of magnitude. Such acceleration, in turn, significantly advances the entire reactive transport simulation. The performed numerical experiments are enabled by the novel coupling of two open-source software packages: Reaktoro (Leal 2015) and Firedrake (Rathgeber et al. ACM Trans. Math. Softw.43(3), 2016). The first library provides the most recent version of the ODML approach for the chemical equilibrium calculations, whereas, the second framework includes the newly implemented conservative Discontinuous Galerkin finite element scheme for the Darcy problem, i.e., the Stabilized Dual Hybrid Mixed(SDHM) method Núñez et al. (Int. J. Model. Simul. Petroleum Industry, 6, 2012).
The impact of FDI on income inequality in Egypt
Authors: Rezk Hebatalla , Amer Goma , Fathi Nahla , Sun Sizhong
Published: January 2022

This study examines the impact of inward foreign direct investment (FDI) on income inequality in Egypt over the period from 1975 to 2017. We find that a one per cent increase in FDI inflows (as a percentage of gross fixed capital formation) results in 0. 0188 reduction of the Gini coefficient. The finding is robust to different specifications of the empirical model and potential endogeneity of FDI inflows. The negative impact of FDI inflows suggests that Egyptian policymakers shall continue and strengthen the open-door policy, which has the added benefit of improving income inequality.
Comparison of co-administration of amiodarone and rivaroxaban to co-administration of dronedarone and rivaroxaban for hemorrhage risks after atrial fibrillation ablation
Authors: Zhang Peng , Wang Maojing , Liu Wenheng , Sun Pin , Cai Shanglang , Pan Yaqi , Zhao Qing
Published: January 2022

Purpose

To investigate whether co-administration of antiarrhythmic dronedarone and anticoagulant rivaroxaban would increase the risks of hemorrhage after atrial fibrillation (AF) ablation.

Methods

A total of 100 patients with AF who underwent radiofrequency catheter ablation (CA) in the Department of Cardiology, the Affiliated Hospital of Qingdao University from 2019–12 to 2020–11 were included. Patients were divided into an oral dronedarone and rivaroxaban group (D-R group, N = 50) and an oral amiodarone and rivaroxaban group (A-R group, N = 50) according to the postoperative antiarrhythmic and anticoagulation strategies. Patients in 2 groups were given propensity score matching (PSM) to obtain a sample with balanced inter-group covariates. A retrospective observational study was conducted. After 3 months of follow-up, the incidence of clinically relevant non-major bleeding (CRNMB), major hemorrhages, and early AF recurrence was observed.

Results

After PSM, 41 patients were included in each group. With similarly distributed baseline characteristics and ablation characteristics after PSM, the CRNMB rate after AF ablation was significantly higher in the D-R group than in the A-R group (26.8% versus 7.3%, P = 0.02), and no major hemorrhages were detected in both groups. No significant difference was observed in the sinus rhythm maintenance rate between the D-R group and the A-R group (26.8% vs. 22.0%, P = 0.43).

Conclusions

Compared to co-administration of amiodarone and rivaroxaban, co-administration of dronedarone and rivaroxaban increases the risk of CRNMB but it does not increase the risk of major hemorrhages in blanking period after AF ablation.
Resource analysis of quantum computing with noisy qubits for Shor’s factoring algorithms
Authors: Ha Jinyoung , Lee Jonghyun , Heo Jun
Published: January 2022

We decompose two implementations of Shor’s algorithm for prime factorization into universal gate units at the logical level and predict the number of physical qubits and execution time when surface codes are used. Logical qubit encoding using a rotated surface code and logical qubits with all-to-all connectivity are assumed. We express the number of physical qubits and execution time in terms of the bit length of the number to be factorized and error rate of the physical quantum gate. We confirm the relationship between the number of qubits and the execution time by analyzing two algorithms using various bit lengths and physical gate error rates .
Chloride accumulation in aboveground biomass of three macrophytes (Phragmites australis, Juncus maritimus, and Typha latifolia) depending on their growth stages and salinity exposure: application for Cl− removal and phytodesalinization
Authors: Delattre Emmanuel , Techer Isabelle , Reneaud Benjamin , Verdoux Patrick , Laffont-Schwob Isabelle , Prohin Philippe
Published: January 2022

Anthropogenic activities can be the source of saline solid wastes that need to be treated to reduce their salt load to meet the purposes of reuse, valorization or storage. In this context, chloride remediation can be achieved using high-salt accumulating plants. However, there is very limited information on the comparative potential of different species in the same environment, and only scarce data concerning their efficiency as a function of growth stage. In order to rationalize these selection criteria, three macrophytes i.e., common reed (Phragmites australis), sea rush (Juncus maritimus), and cattail (Typha latifolia), were cultivated at two growth stages (6-months old and 1-year old) for 65 days in Cl− spiked substrates (from 0 up to 24 ‰ NaCl). The plants’ survival and potential capacity for removal of Cl− from substrates and accumulation in shoots were investigated. For the three studied species, mature and juvenile plants display a high tolerance to salinity. However, mature specimens with higher shoot biomass and Cl− contents are capable of greater chloride removal than juvenile plants. The sole exception is P. australis which displays just the same phytoremediation potential for both mature and juvenile specimens. Moreover, P. australis has the lowest potential when compared with other species, being 1.5 and 3 times lower than for J. maritimus and T. latifolia. When considering the plant growth and the shoot biomass production, chloride removal rates from the substrate point that mature J. maritimus should preferentially be used to design an operational chloride remediation system. The results highlight the relevance of considering the growth stage of plants used for Cl− removal.

Highlights

1) Mature and juvenile specimens of J. maritimus, P. australis, and T. latifolia have high salinity tolerance in solid media spiked up to 24 ‰ NaCl.

2) Mature plants have generally better Cl− removal and phytoremediation performances than juvenile specimens.

3) J. maritimus is the most effective species for chloride phytoremediation with high survival and high Cl− sequestration in shoots.

4) T. latifolia has high Cl− removal in shoots and good remediation capacities but also shows sign of stress.

5) P. australis shows low Cl− sequestration and is a poor candidate for chloride remediation from substrate.
D609 inhibition of phosphatidylcholine-specific phospholipase C attenuates prolonged insulin stimulation-mediated GLUT4 downregulation in 3T3-L1 adipocytes
Authors: Ma Jinhui , Zhang Xu , Song Yankun , Qin Yan , Tan Yinghui , Zheng Lishuang , Cheng Baoqian , Xi Xin
Published: January 2022

Glucose uptake is stimulated by insulin via stimulation of glucose transporter 4 (GLUT4) translocation to the plasma membrane from intracellular compartments in adipose tissue and muscles. Insulin stimulation for prolonged periods depletes GLUT4 protein, particularly in highly insulin-responsive GLUT4 storage vesicles. This depletion mainly occurs via H2O2-mediated retromer inhibition. However, the post-receptor mechanism of insulin activation of oxidative stress remains unknown. Here, we show that phosphatidylcholine-specific phospholipase C (PC-PLC) plays an important role in insulin-mediated downregulation of GLUT4. In the study, 3T3-L1 adipocytes were exposed to a PC-PLC inhibitor, tricyclodecan-9-yl-xanthogenate (D609), for 30 min prior to the stimulation with 500 nM insulin for 4 h, weakening the depletion of GLUT4. D609 also prevents insulin-driven H2O2 generation in 3T3-L1 adipocytes. Exogenous PC-PLC and its product, phosphocholine (PCho), also caused GLUT4 depletion and promoted H2O2 generation in 3T3-L1 adipocytes. Furthermore, insulin-mediated the increase in the cellular membrane PC-PLC activity was observed in Amplex Red assays. These results suggested that PC-PLC plays an important role in insulin-mediated downregulation of GLUT4 and that PCho may serve as a signaling molecule.
Composition optimization, high-temperature stability, and thermal cycling performance of Sc-doped Gd2Zr2O7 thermal barrier coatings: Theoretical and experimental studies
Authors: Guo Lei , Li Bowen , Cheng Yuxian , Wang Lu
Published: January 2022

Sc was doped into Gd2Zr2O7 for expanding the potential for thermal barrier coating (TBC) applications. The solid solution mechanism of Sc in the Gd2Zr2O7 lattice, and the mechanical and thermophysical properties of the doped Gd2Zr2O7 were systematically studied by the first-principles method, based on which the Sc doping content was optimized. Additionally, Sc-doped Gd2Zr2O7 TBCs with the optimized composition were prepared by air plasma spraying using YSZ as a bottom ceramic coating (Gd-Sc/YSZ TBCs), and their sintering behavior and thermal cycling performance were examined. Results revealed that at low Sc doping levels, Sc has a large tendency to occupy the lattice interstitial sites, and when the doping content is above 11.11 at%, Sc substituting for Gd in the lattice becomes dominant. Among the doped Gd2Zr2O7, the composition with 16.67 at% Sc content has the lowest Pugh’s indicator (G/B) and the highest Poisson ratio (σ) indicative of the highest toughness, and the decreasing trends of Debye temperature and thermal conductivity slow down at this composition. By considering the mechanical and thermophysical properties comprehensively, the Sc doping content was optimized to be 16.67 at%. The fabricated Gd-Sc coatings remain phase and structural stability after sintering at 1400 °C for 100 h. Gd-Sc/YSZ TBCs exhibit excellent thermal shock resistance, which is related to the good thermal match between Gd-Sc and YSZ coatings, and the buffering effect of the YSZ coating during thermal cycling. These results revealed that Sc-doped Gd2Zr2O7 has a high potential for TBC applications, especially for the composition with 16.67 at% Sc content.
Towards the efficient modelling of trapped air pockets during squeeze flow
Authors: Müller Michael , Willenbrock Steffen , Stahl Lukas , Vallée Till , Fricke Holger
Published: January 2022

In most bonding processes, an adhesive is applied to a substrate in a specific pattern before the second substrate is subsequently pressed against it. During this, the adhesive flows in such a way that, ideally, it completely fills the joint. In practice, however, areas with entrapped air frequently remain in the bonded adhesive layer. Within the scope of a research project, these flows are systematically analyzed in order to identify optimal initial application patterns for the adhesive and substrate geometry to minimise such risks. For this purpose, the authors use an efficient flow model, the partially filled gaps model (PFGM), extended in this study to include the functionality of trapped air pockets. Depending on the volume fractions of air and adhesive, the flow of both phases is computed. Therefore, the model is introduced and fully described, benchmarked with respect to its plausibility and functionality, and results obtained are compared with a CFD calculation. Thereafter, the functionality of openings and closings of the pockets are analyzed. Lastly, the model is then applied to a real scenario created with a Hele–Shaw cell measurement. The benchmark as well as the comparison with the measurement results show the high potential of this technique.
The Natural History of Non-operatively Managed Legg–Calvé–Perthes’ Disease
Authors: Ailabouni Ramez , Zomar Bryn O. , Slobogean Bronwyn L. , Schaeffer Emily K. , Joseph Benjamin , Mulpuri Kishore
Published: January 2022

Background

The purpose of this study was to examine the evolution of Legg–Calvé–Perthes’ disease (LCPD) among children from British Columbia (BC), Canada who were treated non-operatively and to compare the results to a previously conducted study in India.

Methods

This was a retrospective review of patients treated non-operatively for LCPD in BC between 1990 and 2006 compared with a cohort from India. Demographic and treatment information were collected from medical records. Radiographs were assigned modified Waldenstrom, Catterall, Salter–Thompson and Herring classifications and intra- and interobserver reliability were assessed. We evaluated epiphyseal extrusion (EE) and metaphyseal width (MW), and assessed radiographs using the Mose and modified Stulberg classifications.

Results

102 hips (90 patients) had radiographs available for evaluation. 95% of the BC cohort presented as Waldenstrom stages I and II, whereas, 90% of the Indian cohort presented as IIIa. Final EE was similar for both groups (BC 26.8%, India 27.3%) and final MW was 119% in both groups. Modified Waldenstrom and Herring classifications had substantial intra- and interobserver reliability, while Salter–Thompson and Catterall classifications had moderate agreement at best. Most hips were Catterall IV (80%) and Herring C (89%) for the BC cohort compared to only 44% and 43% of Indian hips, respectively. Most hips were irregular according to the Mose classification (BC 43%, India 52%) and aspherical according to the Stulberg classification (BC 78%).

Conclusions

We found similar radiographic progression and final radiographic appearances of LCPD in India and BC though differences in the distribution of the classification systems warrant further study.
A Blow-up Result for the Periodic Solutions to an Integrable Dispersive Hunter–Saxton Equation
Authors: Jiang Bo
Published: January 2022

We prove a finite time blow-up result for the periodic solutions to an integrable Hunter–Saxton equation with a dispersion term on the basis of its conserved quantities and blow-up criterion, as well as the Gagliardo-Nirenberg inequality.
Factors Associated with Musculoskeletal Injuries While Hiking with a Backpack at Philmont Scout Ranch
Authors: Stoltzfus Ky B. , Arvanitakis Alex V. , Kennedy Lauren M. , McGregor Kathryn R. , Zhang Bo , Hu Jinxiang
Published: January 2022

Introduction

Participants at Philmont Scout Ranch embark on 12-d treks with pre-trek physical conditioning and medical clearance by their primary care physician. In this study, we investigated potential contributing factors to self-reported musculoskeletal injuries during a backpack trek.

Methods

This study was a prospective cohort study that used a 3-part survey administered to participants before, during, and after their trek from June through August 2019. Health history and demographic information were retrieved from each hiker’s medical record. A logistic regression model was used to assess factors associated with injuries, and odds ratios and 95% confidence intervals were reported.

Results

There were 1206 individuals enrolled in this study, and none withdrew from participation. The median age of the participants was 17 y (interquartile range 15–47); 1130 were male, 75 were female, and 1 was of unknown sex. Injuries were reported by 7% (n=88) of participants while in the backcountry, with injuries occurring in various anatomic locations (knee, ankle, leg, foot, hand, arm). Participants without missing data (74% n=897) were included in the logistical regression analysis to describe factors significantly associated with injury. Factors significantly associated with injury included greater backpack weight to body weight ratio, body mass index greater than 30 kg·m-2, and past injuries that required a doctor visit.

Conclusions

Self-reported injuries while hiking at Philmont Scout Ranch are infrequent and do not often require evacuation or advanced medical care. Camp policies to maintain appropriate backpack weight and counseling of obese and previously injured individuals may mitigate injury occurrence.
Personalized Machine Learning
Authors: McAuley Julian
Published: January 2022

Every day we interact with machine learning systems offering individualized predictions for our entertainment, social connections, purchases, or health. These involve several modalities of data, from sequences of clicks to text, images, and social interactions. This book introduces common principles and methods that underpin the design of personalized predictive models for a variety of settings and modalities. The book begins by revising 'traditional' machine learning models, focusing on adapting them to settings involving user data, then presents techniques based on advanced principles such as matrix factorization, deep learning, and generative modeling, and concludes with a detailed study of the consequences and risks of deploying personalized predictive systems. A series of case studies in domains ranging from e-commerce to health plus hands-on projects and code examples will give readers understanding and experience with large-scale real-world datasets and the ability to design models and systems for a wide range of applications.
Population Politics in the Tropics
Authors: Coghe Samuël
Published: January 2022

Population Politics in the Tropics explores colonial population policies in Angola between 1890 and 1945 from a transimperial perspective. Using a wide array of previously unused sources and multilingual archival research from Angola, Portugal and beyond, Samuël Coghe sheds new light on the history of colonial Angola, showing how population policies were conceived, implemented and contested. He analyses why and how doctors, administrators, missionaries and other colonial actors tried to grasp and quantify demographic change and 'improve' the health conditions, reproductive regimes and migration patterns of Angola's 'native' population. Coghe argues that these interventions were inextricably linked to pervasive fears of depopulation and underpopulation, but that their implementation was often hampered by weak state structures, internal conflicts and multiple forms of African agency. Coghe's fresh analysis of demography, health and migration in colonial Angola challenges common ideas of Portuguese colonial exceptionalism.
Classics and Celtic Literary Modernism
Authors: Baker Gregory
Published: January 2022

Celtic modernism had a complex history with classical reception. In this book, Gregory Baker examines the work of W. B. Yeats, James Joyce, David Jones and Hugh MacDiarmid to show how new forms of modernist literary expression emerged as the evolution of classical education, the insurgent power of cultural nationalisms and the desire for transformative modes of artistic invention converged across Ireland, Scotland and Wales. Writers on the 'Celtic fringe' sometimes confronted, and sometimes consciously advanced, crudely ideological manipulations of the inherited past. But even as they did so, their eccentric ways of using the classics and its residual cultural authority animated new decentered idioms of English - literary vernaculars so fragmented and inflected by polyglot intrusion that they expanded the range of Anglophone literature and left in their wake compelling stories for a new age. This title is also available as Open Access on Cambridge Core.
Assyrians in Modern Iraq
Authors: Benjamen Alda
Published: January 2022

Examining the relationship between a strengthened Iraqi state under the Baʿth regime and the Assyrians, a Christian ethno-religious group, Alda Benjamen studies the role of minorities in twentieth-century Iraqi political and cultural history. Relying on extensive research in Iraq, including sources uncovered at the Iraqi National Archives in Baghdad, as well as in libraries and private collections in Erbil, Duhok, and Mosul, in Arabic and modern Aramaic, Benjamen foregrounds the Iraqi periphery as well as the history of bilingualism to challenge the monolingual narrative of the state. By exploring the role of Assyrians in Iraq's leftist and oppositional movements, including gendered representations of women, she demonstrates how, within newly politicized urban spaces, minorities became attracted to intellectual and political movements that allowed them to advance their own concerns while engaging with other Iraqis of their socio-economic background and relying on transnational community networks. Assyrian intellectuals not only negotiated but also resisted government policies through their cultural production, thereby achieving a softening of Baʿthist policies towards the Assyrians that differed markedly from those of later repressive eras.
Structural styles and tectonic evolution of Mesozoic–Cenozoic faults in the Eastern Depression of Bayanhaote Basin, China: implications for petroleum traps
Authors: Zhou Zhicheng , Ding Wenlong , Zhang Ruifeng , Xue Mingwang , Jiao Baocheng , Wu Chenlin , Chen Yuting , Qiu Liang , Du Xiaoyu , Liu Tianshun
Published: January 2022

The Eastern Depression in the Bayanhaote Basin in western Inner Mongolia has experienced multi-stage Meso-Cenozoic tectonic events and possesses considerable exploration potential. However, structural deformation patterns, sequences and the genesis of oil-bearing structures in the basin are still poorly understood. In this study, based on high-quality 2D seismic data and drilling and well-logging data, we elucidate the activities and structural styles of faults, the tectonic evolution and the distribution characteristics of styles, as well as assessing potential petroleum traps in the Eastern Depression. Five types of faults that were active at different stages of the Meso-Cenozoic faults have been recognized: long-lived normal faults active since the late Middle Jurassic; reverse faults and strike-slip faults active in the late Late Jurassic; normal faults active in the Early Cretaceous; normal faults active in the Oligocene; and negative inverted faults active in the Early Cretaceous and Oligocene. These faults constituted 12 geometric styles in NE-trending belts at various stratigraphic levels, and were formed by compression, strike-slip, extension and inversion. The temporal development of structural styles promoted the formation and reconstruction and finalization of structural traps, while regional unconformities and open reverse and strike-slip faults provided migration pathways for petroleum to fill the traps. In general, potential traps that formed by compressional movement and strike-slip movement in the late Late Jurassic are primarily faulted anticlines. Those traps developed in Carboniferous rocks and are located in the southwestern region of the Eastern Depression, being controlled by NNE-NE-striking reverse and transpressive faults.
Barrier enclosure in tracheostomy: a protective box for healthcare workers during the coronavirus disease 2019 pandemic
Authors: Nair N P , Sharma V , Dixit A , Goyal S , Dixit S G , Goyal A , Misra S
Published: January 2022

Background

Tracheostomy, being a high aerosol-generating procedure, poses a great challenge to surgeons, especially during the coronavirus disease 2019 pandemic. It is important to preserve staff numbers as this fight may go on for a long time. Personal protective equipment plays a key role in the protection of healthcare workers. Barrier enclosure has been attempted in procedures such as intubation and tracheostomy. The use of boxes became popularised for intubation and they have been utilised in many centres.

Methods

This paper describes the box designed by our team and presents our surgical experience with the box. The box is made of transparent acrylic. It is sealed at all ends, with a negative-pressure environment. The hand ports were designed to allow maximum manoeuvrability for surgeons, without restricting hand movements.

Conclusion

The proposed box will provide more protection to healthcare workers during tracheostomy. However, the box is yet to be validated.
Phonetic variation of Irish English /t/ in the syllabic coda
Authors: Skarnitzl Radek , Rálišová Diana
Published: January 2022

The consonant /t/ is acknowledged as being an immensely variable sound in the accents of English. This study aims to contribute to accounting for this variability by analyzing the phonetic realizations of /t/ in 21 speakers (15 female, six male) of Southern Irish English. The speakers were asked to read a short text (Deterding 2006) and to speak spontaneously with the experimenter. In total, 1,519 items of /t/ in coda positions were examined by careful auditory analysis combined with visual inspection of spectrograms. The analysis shows, among others, a strong dependence on the neighbouring segmental context and semantic status of the word. Word-final /t/ is realized mostly as a flap in grammatical words linked to the following word-initial vowel, and as the traditional Irish English weakened fricative realization (slit-T) in lexical words. The second part of the analysis focuses on minor realizations of /t/ documented in the dataset which are noteworthy in their phonetic detail. We show that the slit-T – typically a voiceless apico-alveolar fricative – may exhibit sporadic voicing and, more rarely, be pronounced as a laminal [s]-like sound and as a fricative flap, in which a ballistic movement is combined with a fricative realization. An enhanced typology of /t/ lenition in Irish English is proposed based on these findings.
Statistical Characterization of GITM Thermospheric Horizontal Winds in Comparison to GOCE Estimations
Authors: Brandt Daniel A. , Ridley Aaron J.
Published: January 2022

Characterization of the thermospheric horizontal wind is an important challenge in atmospheric modeling due to its vital role in the transport of densities and energy, associations with the diurnal tide, and interplay with vertical winds that drive changes in the thermosphere neutral composition. The mechanisms and drivers that underlie the physics of thermospheric horizontal winds remain under investigation and, to date, no comprehensive statistical study between thermospheric winds generated by a physics‐based atmospheric model and those retrieved from satellite measurements has been performed. Comparisons between cross‐track horizontal winds from a 10‐month run of Global Ionosphere‐Thermosphere (GITM) and those derived from the Gravity field and steady‐state Ocean Circulation Explorer (GOCE) satellite show that GITM did best modeling horizontal winds in the polar zone but overestimated horizontal wind speeds at midlatitudes just outside of the equatorial ionization anomaly region. GITM's wind response to AE was best at polar noon and worst in the midnight auroral zone, its ability to capture seasonality was best in the northern high latitudes and worst in the southern high latitudes, and GITM displayed less wind variability as a function of F10.7 than GOCE, matching it best for F10.7 >∼150. Discrepancies in GITM's performance may be explained by inaccurate modeling of ion drift, ion drag, and electron densities.
Investigation of Coupled Processes in Fractures and the Bordering Matrix via a Micro‐Continuum Reactive Transport Model
Authors: Zhang Qian , Deng Hang , Dong Yanhui , Molins Sergi , Li Xiao , Steefel Carl
Published: January 2022

In multi‐mineral fractured rocks, the altered porous layer on the fracture surface resulting from preferential dissolution of the fast‐reacting minerals can have profound impacts on subsequent chemical‐physical alteration of the fractures. This study adopts the micro‐continuum approach to provide further understanding of reactive transport processes in the altered layer (AL), and mass exchanges with the bordering matrix and fracture. The modeling framework couples the Darcy‐Brinkman‐Stokes (DBS) solver in COMSOL Multiphysics and the geochemical modeling capability of CrunchFlow. Three‐dimensional steady state simulations with systematically varied chemical‐physical parameters of the AL were performed to examine the impacts of individual factors and processes. Our simulation results confirm previous observations that dissolution of the fast‐reacting mineral (i.e., calcite) is largely controlled by diffusion across the AL. We also show that dissolution of the slow‐reacting mineral (i.e., dolomite), which controls AL development and fracture enlargement, increases with surface area and has a complex dependence on different local rate‐limiting processes. In particular, advection can result in evident spatial variations in the local dissolution rates of dolomite, although it does not affect the bulk chemistry significantly. The difference in the spatial patterns between simulations with and without advection in the AL is more noticeable in the locations with smaller apertures, with up to 20% difference in local reaction rates. Therefore, it is important to include a full depiction of advection, diffusion, and reactions for accurately capturing local dynamics that control long‐term fracture evolution.
Application of QPLEXTM biomarkers in cognitively normal individuals across a broad age range and diverse regions with cerebral amyloid deposition
Authors: Lee Dongjoon , Park Jong-Chan , Jung Keum Sim , Kim Jiyeong , Jang Ji Sung , Kwon Sunghoon , Byun Min Soo , Yi Dahyun , Byeon Gihwan , Jung Gijung , Kim Yu Kyeong , Lee Dong Young , Han Sun-Ho , Mook-Jung Inhee
Published: January 2022

The deposition of beta-amyloid (Aβ) in the brain precedes the onset of symptoms such as cognitive impairment in Alzheimer’s disease (AD); therefore, the early detection of Aβ accumulation is crucial. We previously reported the applicability of theQPLEXTMAlz plus assay kit for the prescreening of Aβ accumulation. Here, we tested the specific application of the kit in a large cohort of cognitively normal (CN) individuals of varying ages for the early detection of Aβ accumulation. We included a total of 221 CN participants with or without brain Aβ. TheQPLEXTMbiomarkers were characterized based on age groups (1st–3rdtertile) and across various brain regions with cerebral amyloid deposition. The 3rdtertile group (>65 years) was found to be the most suitable age group for the application of our assay kit. Receiver operating characteristic curve analysis showed that the area under the curve (AUC, discrimination power) was 0.878 with 69.7% sensitivity and 98.4% specificity in the 3rdtertile group. Additionally, specific correlations between biomarkers and cerebral amyloid deposition in four different brain regions revealed an overall correlation with general amyloid deposition, consistent with previous findings. Furthermore, the combinational panel with plasma Aβ1–42 levels maximized the discrimination efficiency and achieved an AUC of 0.921 with 95.7% sensitivity and 67.3% specificity. Thus, we suggest that theQPLEXTMAlz plus assay is useful for prescreening brain Aβ levels in CN individuals, especially those aged >65 years, to prevent disease progression via the early detection of disease initiation.
Five ways to improve international comparisons of cancer survival: lessons learned from ICBP SURVMARK-2
Authors: Andersson Therese M.-L. , Myklebust Tor Åge , Rutherford Mark J. , Møller Bjørn , Arnold Melina , Soerjomataram Isabelle , Bray Freddie , Parkin D. Maxwell , Lambert Paul C.
Published: January 2022

Background

Comparisons of population-based cancer survival between countries are important to benchmark the overall effectiveness of cancer management. The International Cancer Benchmarking Partnership (ICBP) Survmark-2 study aims to compare survival in seven high-income countries across eight cancer sites and explore reasons for the observed differences. A critical aspect in ensuring comparability in the reported survival estimates are similarities in practice across cancer registries. While ICBP Survmark-2 has shown these differences are unlikely to explain the observed differences in cancer-specific survival between countries, it is important to keep in mind potential biases linked to registry practice and understand their likely impact.

Methods

Based on experiences gained within ICBP Survmark-2, we have developed a set of recommendations that seek to optimally harmonise cancer registry datasets to improve future benchmarking exercises.

Results

Our recommendations stem from considering the impact on cancer survival estimates in five key areas: (1) the completeness of the registry and the availability of registration sources; (2) the inclusion of death certification as a source of identifying cases; (3) the specification of the date of incidence; (4) the approach to handling multiple primary tumours and (5) the quality of linkage of cases to the deaths register.

Conclusion

These recommendations seek to improve comparability whilst maintaining the opportunity to understand and act upon international variations in outcomes among cancer patients.
Epimedium protects against dyszoospermia in mice with Pex3 knockout by exerting antioxidant effects and regulating the expression level of P16
Authors: Zhao Haiyang , Zhao Tingting , Yang Jihong , Huang Qianqian , Wu Hua , Pan Yueyun , Wang Hui , Qian Yun
Published: January 2022

Oxidative stress (OS) is one of the primary factors leading to male infertility. Oral administration of antioxidants has thus far been found to significantly improve the quality of human sperm. Therefore, antioxidant treatment has become the consensus among international experts on male infertility. In this study, peroxisomal biogenesis factor 3 (Pex3)-knockout (KO, −/−) mice were used as a model to compare the efficacy of three types of traditional Chinese medicine (TCM) granules (Epimedium [YYH], Cuscuta [TSZ], and Rhodiola [HJT]) for male reproductive function rescue. YYH was revealed to be the best and exerted a rescue effect on Pex3−/− mice with spermatogenesis defects. In addition, YYH prominently reduced ROS levels in the testes, inhibited DNA oxidative damage in spermatogenic cells, promoted the proliferation of spermatogenic cells, and inhibited apoptosis in Pex3−/− male mice. Furthermore, the mechanism by which YYH ameliorated dyszoospermia was confirmed via the establishment of cyclin-dependent kinase inhibitor 2 A (P16Ink4a)-KO mice. Specifically, Pex3−/− mice produced elevated amounts of ROS, which damaged germ cell DNA and further activated the signaling pathway of the cell senescence regulatory protein P16-CDK6, resulting in cell cycle arrest and eventually contributing to spermatogenesis dysfunction. YYH supplementation partially corrected the associated phenotype in gene KO mice by affecting P16 expression levels, thus improving the reproductive outcome to a certain extent.
Macrophages in epididymal adipose tissue secrete osteopontin to regulate bone homeostasis
Authors: Dai Bingyang , Xu Jiankun , Li Xu , Huang Le , Hopkins Chelsea , Wang Honglian , Yao Hao , Mi Jie , Zheng Lizhen , Wang Jiali , Tong Wenxue , Chow Dick Ho-kiu , Li Ye , He Xuan , Hu Peijie , Chen Ziyi , Zu Haiyue , Li Yixuan , Yao Yao , Jiang Qing , Qin Ling
Published: January 2022

Epididymal white adipose tissue (eWAT) secretes an array of cytokines to regulate the metabolism of organs and tissues in high-fat diet (HFD)-induced obesity, but its effects on bone metabolism are not well understood. Here, we report that macrophages in eWAT are a main source of osteopontin, which selectively circulates to the bone marrow and promotes the degradation of the bone matrix by activating osteoclasts, as well as modulating bone marrow-derived macrophages (BMDMs) to engulf the lipid droplets released from adipocytes in the bone marrow of mice. However, the lactate accumulation induced by osteopontin regulation blocks both lipolysis and osteoclastogenesis in BMDMs by limiting the energy regeneration by ATP6V0d2 in lysosomes. Both surgical removal of eWAT and local injection of either clodronate liposomes (for depleting macrophages) or osteopontin-neutralizing antibody show comparable amelioration of HFD-induced bone loss in mice. These results provide an avenue for developing therapeutic strategies to mitigate obesity-related bone disorders.
Stereoselective gold(I)-catalyzed approach to the synthesis of complex α-glycosyl phosphosaccharides
Authors: Zhang Xiaojuan , Yang Yutong , Ding Jiahao , Zhao Yun , Zhang Hongbin , Zhu Yugen
Published: January 2022

Glycosyl phosphosaccharides represent a large and important family of complex glycans. Due to the distinct nature of these complex molecules, efficient approaches to access glycosyl phosphosaccharides are still in great demand. Here, we disclose a highly efficient and stereoselective approach to the synthesis of biologically important and complex α-glycosyl phosphosaccharides, employing direct gold(I)-catalyzed glycosylation of the weakly nucleophilic phosphoric acid acceptors. In this work, the broad substrate scope is demonstrated with more than 45 examples, including glucose, xylose, glucuronate, galactose, mannose, rhamnose, fucose, 2-N3-2-deoxymannose, 2-N3-2-deoxyglucose, 2-N3-2-deoxygalactose and unnatural carbohydrates. Here, we show the glycosyl phosphotriester prepared herein was successfully applied to the one-pot synthesis of a phosphosaccharide from Leishmania donovani, and an effective preparation of a trisaccharide diphosphate of phosphosaccharide fragments from Hansenula capsulate via iterative elongation strategy is realized.
Solvent-free bottom-up patterning of zeolitic imidazolate frameworks
Authors: Miao Yurun , Lee Dennis T. , de Mello Matheus Dorneles , Ahmad Mueed , Abdel-Rahman Mohammed K. , Eckhert Patrick M. , Boscoboinik J. Anibal , Fairbrother D. Howard , Tsapatsis Michael
Published: January 2022

Patterning metal-organic frameworks (MOFs) at submicrometer scale is a crucial yet challenging task for their integration in miniaturized devices. Here we report an electron beam (e-beam) assisted, bottom-up approach for patterning of two MOFs, zeolitic imidazolate frameworks (ZIF), ZIF-8 and ZIF-67. A mild pretreatment of metal oxide precursors with linker vapor leads to the sensitization of the oxide surface to e-beam irradiation, effectively inhibiting subsequent conversion of the oxide to ZIFs in irradiated areas, while ZIF growth in non-irradiated areas is not affected. Well-resolved patterns with features down to the scale of 100 nm can be achieved. This developer-free, all-vapor phase technique will facilitate the incorporation of MOFs in micro- and nanofabrication processes.
Single-component color-tunable circularly polarized organic afterglow through chiral clusterization
Authors: Li Hui , Gu Jie , Wang Zijie , Wang Juan , He Fei , Li Ping , Tao Ye , Li Huanhuan , Xie Gaozhan , Huang Wei , Zheng Chao , Chen Runfeng
Published: January 2022

Circularly polarized organic afterglow (CPOA) with both long-lived room-temperature phosphorescence (RTP) and circularly polarized luminescence (CPL) is currently attracting great interest, but the development of multicolor-tunable CPOA in a single-component material remains a formidable challenge. Here, we report an efficient strategy to achieve multicolor CPOA molecules through chiral clusterization by implanting chirality center into non-conjugated organic cluster. Owing to excitation-dependent emission of clusters, highly efficient and significantly tuned CPOA emissions from blue to yellowish-green with dissymmetry factor over 2.3 × 10−3 and lifetime up to 587 ms are observed under different excitation wavelengths. With the distinguished color-tunable CPOA, the multicolor CPL displays and visual RTP detection of ultraviolent light wavelength are successfully constructed. These results not only provide a new paradigm for realization of multicolor-tunable CPOA materials in single-component molecular systems, but also offer new opportunities for expanding the applicability of CPL and RTP materials for diversified applications.
Nosocomial transmission clusters and lineage diversity characterized by SARS-CoV-2 genomes from two large hospitals in Paris, France, in 2020
Authors: Leducq Valentin , Jary Aude , Bridier-Nahmias Antoine , Daniel Lena , Zafilaza Karen , Damond Florence , Goldstein Valérie , Duval Audrey , Blanquart François , Calvez Vincent , Descamps Diane , Marcelin Anne-Geneviève , Visseaux Benoit
Published: January 2022

France went through three deadly epidemic waves due to the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), causing major public health and socioeconomic issues. We proposed to study the course of the pandemic along 2020 from the outlook of two major Parisian hospitals earliest involved in the fight against COVID-19. Genome sequencing and phylogenetic analysis were performed on samples from patients and health care workers (HCWs) from Bichat (BCB) and Pitié-Salpêtrière (PSL) hospitals. A tree-based phylogenetic clustering method and epidemiological data were used to investigate suspected nosocomial transmission clusters. Clades 20A, 20B and 20C were prevalent during the spring wave and, following summer, clades 20A.EU2 and 20E.EU1 emerged and took over. Phylogenetic clustering identified 57 potential transmission clusters. Epidemiological connections between participants were found for 17 of these, with a higher proportion of HCWs. The joint presence of HCWs and patients suggest viral contaminations between these two groups. We provide an enhanced overview of SARS-CoV-2 phylogenetic changes over 2020 in the Paris area, one of the regions with highest incidence in France. Despite the low genetic diversity displayed by the SARS-CoV-2, we showed that phylogenetic analysis, along with comprehensive epidemiological data, helps to identify and investigate healthcare associated clusters.
Total synthesis and chemical stability of pseudouridimycin
Authors: Cain Christopher F. , Scott Aaron M. , Sarnowski Matthew P. , Del Valle Juan R.
Published: January 2022

The synthesis of pseudouridimycin, a potent and selective bacterial RNA polymerase inhibitor, is reported. Decomposition studies revealed key chemical liabilities that informed the design of analogues with improved stability.
PECD study of a single-conformer molecule: a critical comparison of experiment and theory
Authors: Catone D. , Zema N. , Prosperi T. , Stener M. , Decleva P. , Nitti P. , Turchini S.
Published: January 2022

Photoelectron circular dichroism (PECD) displays sensitivity to tiny conformational geometry modifications. The influence of rotating functional groups on PECD is confirmed through investigating norcamphor, a mono-conformer molecule.
Structural, magnetic, and dielectric properties of solution combustion synthesized LaFeO3, LaFe0.9Mn0.1O3, and LaMnO3 perovskites
Authors: Lakshmi R. V. , Bera Parthasarathi , Hiremath Maheshwarayya , Dubey Varun , Kundu Asish K. , Barshilia Harish C.
Published: January 2022

Orthorhombic LaFeO3 and LaFe0.9Mn0.1O3 prepared by solution combustion synthesis with ODH fuel show weak ferromagnetism with Mm values of 0.48 and 4.3 emu g−1 at 12 kOe and paramagnetic behavior is noticed in rhombohedral LaMnO3 prepared by same method.
Multistep nucleation compatible with a single energy barrier: catching the non-classical culprit
Authors: Lauer A. R. , Durán-Olivencia M. A. , Fernandez-Martinez A. , Van Driessche A. E. S.
Published: January 2022

A nucleation pathway based on the mesoscopic nucleation theory reveals that precursor clusters are purely induced by kinetics.
An outlook on microfluidics: the promise and the challenge
Authors: Battat Sarah , Weitz David A. , Whitesides George M
Published: January 2022

This perspective highlights promising areas of application of microfluidics that have yet to be fully explored, and identifies some of the technical challenges that have impeded the widespread adoption of microfluidics.
Design and synthesis of leucylaniline derivatives as leucyl-tRNA synthetase inhibitors
Authors: Luo Jinghan , Wu Chengjun , Hu Yanjun , Jia Xingxing , Chen Yu , Sun Tiemin
Published: January 2022

By simulating the structure of Leu-AMP, 26 leu-arylamine derivatives were designed and synthesized as leucyl-tRNA Synthetase inhibitors; compounds 19 and 24 showed good anti-tuberculosis activity.
Enhancing the photothermal conversion of tetrathiafulvalene-based MOFs by redox doping and plasmon resonance
Authors: Su Jian , Cai Peiyu , Yan Tong , Yang Zhi-Mei , Yuan Shuai , Zuo Jing-Lin , Zhou Hong-Cai
Published: January 2022

The photo-response of the redox-active metal–organic framework has been systematically tuned by incorporating plasmonic Ag nanoparticles and tetrathiafulvalene radicals, resulting in efficient near-infrared photothermal conversion materials.
Conformational trapping of an ABC transporter in polymer lipid nanoparticles
Authors: Pollock Naomi L. , Lloyd James , Montinaro Carlotta , Rai Megha , Dafforn Timothy R.
Published: January 2022

ATP-binding cassette (ABC) proteins play important roles in cells as importers and exporters but as membrane proteins they are subject to well-known challenges of isolating pure and stable samples for study. One solution to this problem is to use styrene-maleic acid lipid particles (SMALPs). Styrene-maleic acid (SMA) can be added directly to membranes, forming stable nanoparticles incorporating membrane proteins and lipids. Here we use Sav1866, a well-characterised bacterial protein, as a proxy for ABC proteins in general. We show that stable and monodispersed Sav1866 can be purified at high yield using SMA. This protein can be used for biophysical characterisations showing that its overall structure is consistent with existing evidence. However, like other ABC proteins in SMALPs it does not hydrolyse ATP. The lack of ATPase activity in ABC–SMALPs may result from conformational trapping of the proteins in SMALPs. Undertaken in a controlled manner, conformational trapping is a useful tool to stabilise protein samples into a single conformation for structural studies. Due to their inability to hydrolyse ATP, the conformation of Sav1866–SMALPs cannot be altered using ATP and vanadate after purification. To achieve controlled trapping of Sav1866–SMALPs we show that Sav1866 in crude membranes can be incubated with ATP, magnesium and sodium orthovanadate. Subsequent solubilisation and purification with SMA produces a sample of Sav1866–SMALPs with enhanced stability, and in a single conformational state. This method may be generally applicable to vanadate-sensitive ABC proteins and overcomes a limitation of the SMALP system for the study of this protein family.
Live imaging approach of dynamic multicellular responses in ERK signaling during vertebrate tissue development
Authors: Hirashima Tsuyoshi
Published: January 2022

The chemical and mechanical responses of cells via the exchange of information during growth and development result in the formation of biological tissues. Information processing within the cells through the signaling pathways and networks inherent to the constituent cells has been well-studied. However, the cell signaling mechanisms responsible for generating dynamic multicellular responses in developing tissues remain unclear. Here, I review the dynamic multicellular response systems during the development and growth of vertebrate tissues based on the extracellular signal-regulated kinase (ERK) pathway. First, an overview of the function of the ERK signaling network in cells is provided, followed by descriptions of biosensors essential for live imaging of the quantification of ERK activity in tissues. Then adducing four examples, I highlight the contribution of live imaging techniques for studying the involvement of spatio-temporal patterns of ERK activity change in tissue development and growth. In addition, theoretical implications of ERK signaling are also discussed from the viewpoint of dynamic systems. This review might help in understanding ERK-mediated dynamic multicellular responses and tissue morphogenesis.