bluuebunny/crossref_metadata_2025 huggingface dataset:
Deep‐Red Emissive Squaraine‐AIEgen in Elastomer Enabling High Contrast and Fast Thermoresponse for Anti‐Counterfeiting and Temperature Sensing**
Authors: Yao Peigen , Qiao Weiguo , Wang Yixuan , Peng Haiyan , Xie Xiaolin , Li Zhong'an
Published: March 2022

Two challenges remain for organic thermoresponsive materials; one is to develop high‐performance red‐emissive thermoresponsive materials, while another is to simultaneously achieve high contrast ratio (CR), fast and reversible thermoresponse in a single element. Herein, we not only develop a new deep‐red emissive squaraine‐based AIEgen (TPE‐SQ12) based on a pyrylium end group, which is suitable for fabricating high‐performance thermoresponsive materials, but also show an effective approach to improve both CR (∼ten times increase) and response time (less than 3 seconds), that is, molecularly dispersing AIEgen into an elastomer, attributed to the significantly expanded free volume of elastomer upon increasing the temperature that can activate the AIEgen intramolecular movements more pronouncedly. Double encryption and temperature mapping systems have been separately established by using our designed elastomer/TPE‐SQ12 film, showing the great potential for anti‐counterfeiting and temperature sensing. Finally, white emission is further achieved by co‐doping TPE‐SQ12 with cyan dye into elastomer, which enables fluorescent thermochromism for improving the temperature mapping ability.
Evaluation of left atrial function and mechanical dispersion in breast cancer patients after chemotherapy
Authors: Chen Na , Liu Ansheng , Sun Siyao , Wei Hong , Sun Qiaobing , Shang Zhijuan , Sun Yinghui , Fu Tingting , Wang Hongjiang , Xia Yunlong , Hua Lanqi , Hsi David H. , Cong Tao
Published: March 2022

Background

Left atrial (LA) function and mechanical dispersion changes in breast cancer patients treated with chemotherapy remain unclear.

Hypothesis

LA function and LA mechanical dispersion in breast cancer patients would be impaired after chemotherapy.

Methods

This single‐center retrospective study included 91 consecutive breast cancer patients treated with chemotherapy and 30 controls. Patients were examined by echocardiography three times at intervals. Conventional parameters, left ventricular strain, LA strain, and LA mechanical dispersion were evaluated and compared.

Results

LA strain during reservoir phase (LASr), conduit phase (LAScd), and contraction phase (LASct) all decreased markedly after chemotherapy and were lower than those of the controls (all p < .01). The standard deviation of time to peak positive strain during LA reservoir phase corrected by R‐R interval (LA SD‐TPSr) was significantly increased after chemotherapy and was higher than that of the controls (p < .001). The change of LA function was expressed as Δ. Multivariate linear regression analyses showed that LAVIp (0.399, 95% confidence interval [CI]: 0.610, 1.756, p = .000) was independently associated with ΔLASr, LAPEF (−0.325, 95% CI: −45.123, −10.676, p = .002) and age (0.227, 95% CI: 0.021, 0.350, p = .027) were independently associated with ΔLAScd, and LAVImax (0.341, 95% CI: 0.192, 0.723, p = .001) was independently associated with ΔLASct. LAVImax (0.505, 95% CI: 0.000, 0.001, p = .039) and mitral E (−0.256, 95% CI: 0.000, 0.000, p = .024）were independently associated with ΔLA SD‐TPSr.

Conclusions

Mechanical function of LA declined after chemotherapy in breast cancer patients. With the decrease of LA mechanical function, LA mechanical dispersion assessed by two‐dimensional speckle‐tracking echocardiography increased significantly, and its clinical value needs to be further studied.
Identification of Ziyuglycoside II from a Natural Products Library as a STING Agonist
Authors: Cui Xiangling , Xie Yongli , Zhang Min , Gao Jieke , Zhou Xujun , Ding Jiwei , Cen Shan , Zhou Jinming
Published: March 2022

Given the emerging pivotal roles of stimulator of interferon genes (STING) in host pathogen defense and immune‐oncology, STING is regarded as a promising target for drug development. Cyclic dinucleotides (CDNs) are the first‐generation STING agonists. However, their poor metabolic stability and membrane permeability limits their therapeutic application. In contrast, small‐molecule STING agonists show superior properties such as molecular weight, polar character, and delivery diversity. The quest for a potent small‐molecular agonist of human STING remains ongoing. In our study, through an IRF/IFN pathway‐targeted cell‐based screen of a natural products library, we identified a small‐molecular STING agonist, Ziyuglycoside II, termed ST12, with potent stimulation of the IRF/IFN and NF‐κB pathways. Furthermore, its binding to the C‐terminal domain of human STING, detected by bio‐layer interferometry, indicates that ST12 is a human STING agonist. Further Tanimoto similarity analysis with existing small‐molecule STING agonists indicates that ST12 is a lead compound with a novel core structure for the further optimization.
Jumping from Fragment to Drug via Smart Scaffolds
Authors: Farahani Majid D. , França Tanos C. C. , Alapour Saba , Shahout Fatma , Boulon Richard , Iddir Mustapha , Maddalena Michael , Ayotte Yann , LaPlante Steven R.
Published: March 2022

A focused drug repurposing approach is described where an FDA‐approved drug is rationally selected for biological testing based on structural similarities to a fragment compound found to bind a target protein by an NMR screen. The approach is demonstrated by first screening a curated fragment library using 19F NMR to discover a quality binder to ACE2, the human receptor required for entry and infection by the SARS‐CoV‐2 virus. Based on this binder, a highly related scaffold was derived and used as a “smart scaffold” or template in a computer‐aided finger‐print search of a library of FDA‐approved or marketed drugs. The most interesting structural match involved the drug vortioxetine which was then experimentally shown by NMR spectroscopy to bind directly to human ACE2. Also, an ELISA assay showed that the drug inhibits the interaction of human ACE2 to the SARS‐CoV‐2 receptor‐binding‐domain (RBD). Moreover, our cell‐culture infectivity assay confirmed that vortioxetine is active against SARS‐CoV‐2 and inhibits viral replication. Thus, the use of “smart scaffolds” based on binders from fragment screens may have general utility for identifying candidates of FDA‐approved or marketed drugs as a rapid repurposing strategy. Similar approaches can be envisioned for other fields involving small‐molecule chemical applications.
A novel method for EEG based automated eyes state classification using recurrence plots and machine learning approach
Authors: Khosla Ashima , Khandnor Padmavati , Chand Trilok
Published: March 2022

Automated eyes‐state classification from the EEG signals using nonlinear analysis tools is a new area of research. Based upon the theory of nonlinear analysis, recurrence plots (RPs) and recurrence quantification analysis (RQA) are of greater significance that help in understanding the chaotic and recurrence behavior of the dynamically occurring complex physiological signals. In our study, a novel method is proposed combining the RPs with the machine learning based algorithms for automated classification of EEG signals into eyes‐open and eyes‐close states. A huge dataset of 109 subjects has been acquired from the PhysioNet database. Each of the six RQA‐based measures (recurrence rate, determinism, entropy, laminarity, trapping time, and longest vertical line) has been extracted from 64 EEG channels. Feature selection has been performed using genetic algorithm. The selected features have been averaged and combined to form a six‐dimensional input vector which shows statistically significant differences between the two states. It is fed to different machine learning based algorithms such as logistic‐regression, support vector machine, random forest, k‐nearest neighbor, Gaussian naïve Bayes, and adaptive boosting. Logistic regression achieves the highest performance results in terms of accuracy, F1 score, precision, recall, and specificity of 97.27%, 97.17%, 98.26%, 96.36%, and 98.18%, respectively, with the least testing time of the model as 2.52 ms. Therefore, our method might be of greater significance in the development of the practical applications.
Stabilizing the Li1.3Al0.3Ti1.7(PO4)3|Li Interface for High Efficiency and Long Lifespan Quasi‐Solid‐State Lithium Metal Batteries
Authors: Chen Zhen , Stepien Dominik , Wu Fanglin , Zarrabeitia Maider , Liang Hai‐Peng , Kim Jae‐Kwang , Kim Guk‐Tae , Passerini Stefano
Published: March 2022

To tackle the poor chemical/electrochemical stability of Li1+xAlxTi2‐x(PO4)3 (LATP) against Li and poor electrode|electrolyte interfacial contact, a thin poly[2,3‐bis(2,2,6,6‐tetramethylpiperidine‐N‐oxycarbonyl)norbornene] (PTNB) protection layer is applied with a small amount of ionic liquid electrolyte (ILE). This enables study of the impact of ILEs with modulated composition, such as 0.3 lithium bis(fluoromethanesulfonyl)imide (LiFSI)‐0.7 N‐butyl‐N‐methylpyrrolidinium bis(fluoromethanesulfonyl)imide (Pyr14FSI) and 0.3 LiFSI‐0.35 Pyr14FSI‐0.35 N‐butyl‐N‐methylpyrrolidinium bis(trifluoromethanesulfonyl)imide (Pyr14TFSI), on the interfacial stability of PTNB@Li||PTNB@Li and PTNB@Li||LiNi0.8Co0.1Mn0.1O2 cells. The addition of Pyr14TFSI leads to better thermal and electrochemical stability. Furthermore, Pyr14TFSI facilitates the formation of a more stable Li|hybrid electrolyte interface, as verified by the absence of lithium “pitting corrosion islands” and fibrous dendrites, leading to a substantially extended lithium stripping‐plating cycling lifetime (>900 h). Even after 500 cycles (0.5C), PTNB@Li||LiNi0.8Co0.1Mn0.1O2 cells achieve an impressive capacity retention of 89.1 % and an average Coulombic efficiency of 98.6 %. These findings reveal a feasible strategy to enhance the interfacial stability between Li and LATP by selectively mixing different ionic liquids.
Efficient Production of Adipic Acid by a Two‐Step Catalytic Reaction of Biomass‐Derived 2,5‐Furandicarboxylic Acid
Authors: Vy Tran Anh , Park Seok‐Kyu , Jin Lee Hye , Yong Kim Tae , Kim Younhwa , Suh Young‐Woong , Lee Kwan‐Young , Jin Kim Yong , Baek Jayeon
Published: March 2022

Efficient catalytic ring‐opening coupled with hydrogenation is a promising but challenging reaction for producing adipic acid (AA) from 2,5‐furan dicarboxylic acid (FDCA). In this study, AA synthesis is carried out in two steps from FDCA via tetrahydrofuran‐2,5‐dicarboxylic acid (THFDCA) over a recyclable Ru/Al2O3 and an ionic liquid, [MIM(CH2)4SO3H]I (MIM=methylimidazolium) to deliver 99 % overall yield of AA. Ru/Al2O3 is found to be an efficient catalyst for hydrogenation and hydrogenolysis of FDCA to deliver THFDCA and 2‐hydroxyadipic acid (HAA), respectively, where ruthenium is more economically viable than well‐known palladium or rhodium hydrogenation catalysts. H2 chemisorption shows that the alumina phase strongly affects the interaction between Ru nanoparticles (NPs) and supports, resulting in materials with high dispersion and small size of Ru NPs, which in turn are responsible for the high conversion of FDCA. An ionic liquid system, [MIM(CH2)4SO3H]I is applied to the hydrogenolysis of THFDCA for AA production. The [MIM(CH2)4SO3H]I exhibits superior activity, enables simple product isolation with high purity, and reduces the severe corrosion problems caused by the conventional hydroiodic acid catalytic system.
Using Biomass Gasification Mineral Residue as Catalyst to Produce Light Olefins from CO, CO2, and H2 Mixtures
Authors: ten Have Iris C. , van den Brink Robin Y. , Marie‐Rose Stéphane C. , Meirer Florian , Weckhuysen Bert M.
Published: March 2022

Gasification is a process to transform solids, such as agricultural and municipal waste, into gaseous feedstock for making transportation fuels. The so‐called coarse solid residue (CSR) that remains after this conversion process is currently discarded as a process solid residue. In the context of transitioning from a linear to a circular society, the feasibility of using the solid process residue from waste gasification as a solid catalyst for light olefin production from CO, CO2, and H2 mixtures was investigated. This CSR‐derived catalyst converted biomass‐derived syngas, a H2‐poor mixture of CO, CO2, H2, and N2, into methane (57 %) and C2–C4 olefins (43 %) at 450 °C and 20 bar. The main active ingredient of CSR was Fe, and it was discovered with operando X‐ray diffraction that metallic Fe, present after pre‐reduction in H2, transformed into an Fe carbide phase under reaction conditions. The increased formation of Fe carbides correlated with an increase in CO conversion and olefin selectivity. The presence of alkali elements, such as Na and K, in CSR‐derived catalyst increased olefin production as well.
Champion DEI, affordability, accessibility
Authors: Elfman Lois
Published: March 2022

Assuming the presidency of a university during a pandemic brought challenges for which there was no playbook, but Dr. Lori S. White, the 21st president of DePauw University and the first woman and first person of color to hold the presidency, remains undaunted.
Search for Structurally Resembled Mn/Ca Cubane Core of the Oxygen Evolving Complex of Photosystem II Yielded MnIV, MnIII3MnII and MnIII2CaII2Entities: Structure and Magnetism
Authors: Modak Ritwik , Sikdar Yeasin , Bhattacharya Priyabrata , Kinyon Jared S. , Dalal Naresh , Bindra Jasleen K. , Goswami Sanchita
Published: March 2022

The aim of the paper was to synthesize Mn/Ca entities that are structurally similar to the reported oxygen‐evolving complex (OEC) of photosystem II (PSII). Here we have ventured Schiff base combinations of racemic (±)‐3‐Aminopropane‐1,2‐diol and Salicyladehyde (H3L1)/o‐Vanillin (H3L2) with varied ratios of ligand : CaIIsalt : MnIIIsalt. Interestingly, H3L2 : CaCl2 : MnCl2 (2 : 1 : 1) afforded [{MnIII2CaII2(HL2)2Cl2(μ3‐OH)2(H2O)6}Cl2 ⋅ 2H2O] (3) whereas H3L1 : CaCl2 : Mn(acetate)2 (2 : 1 : 1) and H3L1 : CaCl2 : MnCl2 (2 : 1 : 2), generated [{MnIV(HL1)2}2 ⋅ 6H2O](1) and [{MnIII3MnII(HL1)3(μ2‐Cl)3(μ3‐O)} ⋅ 2CH3OH ⋅ 2H2O] (2) respectively. More importantly, we have been able to get a structure which offers partial similarity to reported structure of the OEC. Variable temperature magnetic susceptibility measurements have been performed in the 1.8–30 K region for all the compounds. Overall, these studies provide a critical understanding for the rational design and construction of synthetic OEC.
Diphenyl‐ and Dimesityl‐Phosphanyl‐Substituted 3,3,4,4,5,5‐Hexafluorocyclopentenyl‐Gold(I) Dimers – Syntheses and Solid‐State Structures
Authors: Müller Felix , Neumann Beate , Stammler Hans‐Georg , Mitzel Norbert W.
Published: March 2022

1,2‐Dichloro‐3,3,4,4,5,5‐hexafluorocyclopentene (F6cypCl2) was functionalized with diphenyl‐ and dimesitylphosphanyl groups by a salt‐elimination reaction of the respective chlorophosphane (PPh2Cl, PMes2Cl) with in situ generated lithiated F6cyp(Li)Cl. F6cyp(PR2)Cl (R=Ph, Mes) was functionalised again to obtain the corresponding trimethylstannyl substituted compounds F6cyp(PR2)(SnMe3) (R=Ph, Mes). These tin‐precursors were used in tin‐gold exchange reactions to synthesize the dinuclear gold(I) dimers [F6cyp(PR2)Au]2 (R=Ph, Mes). For the mesityl substituted compound, the phosphanegold chloride adduct F6cyp(PMes2AuCl)(SnMe3), the intermediate of the tin‐gold exchange reaction, could also be isolated. All compounds were characterized by multinuclear NMR spectroscopy and X‐ray diffraction experiments.
An analysis of organism lifelines in an industrial bioreactor using Lattice‐Boltzmann CFD
Authors: Haringa Cees
Published: March 2022

Euler‐Lagrange CFD simulations, where the biotic phase is represented by computational particles (parcels), provide information on environmental gradients inside bioreactors from the microbial perspective. Such information is highly relevant for reactor scale‐down and process optimization. One of the major challenges is the computational intensity of CFD simulations, especially when resolution of dynamics in the flowfield is required. Lattice‐Boltzmann large‐eddy simulations (LB‐LES) form a very promising approach for simulating accurate, dynamic flowfields in stirred reactors, at strongly reduced computation times compared to finite volume approaches. In this work, the performance of LB‐LES in resolving substrate gradients in large‐scale bioreactors is explored, combined with the inclusion of a Lagrangian biotic phase to provide the microbial perspective. In addition, the hydrodynamic performance of the simulations is confirmed by verification of hydrodynamic characteristics (radial velocity, turbulent kinetic energy, energy dissipation) in the impeller discharge stream of a 29 cm diameter stirred tank. The results are compared with prior finite volume simulation results, both in terms of hydrodynamic and biokinetic observations, and time requirements.
Resting‐state functional magnetic resonance imaging signal variations in aging: The role of neural activity
Authors: Zhong Xiaole Z. , Chen J. Jean
Published: March 2022

Resting‐state functional magnetic resonance imaging (rs‐fMRI) has been extensively used to study brain aging, but the age effect on the frequency content of the rs‐fMRI signal has scarcely been examined. Moreover, the neuronal implications of such age effects and age–sex interaction remain unclear. In this study, we examined the effects of age and sex on the rs‐fMRI signal frequency using the Leipzig mind–brain–body data set. Over a frequency band of up to 0.3 Hz, we found that the rs‐fMRI fluctuation frequency is higher in the older adults, although the fluctuation amplitude is lower. The rs‐fMRI signal frequency is also higher in men than in women. Both age and sex effects on fMRI frequency vary with the frequency band examined but are not found in the frequency of physiological‐noise components. This higher rs‐fMRI frequency in older adults is not mediated by the electroencephalograph (EEG)‐frequency increase but a likely link between fMRI signal frequency and EEG entropy, which vary with age and sex. Additionally, in different rs‐fMRI frequency bands, the fMRI‐EEG amplitude ratio is higher in young adults. This is the first study to investigate the neuronal contribution to age and sex effects in the frequency dimension of the rs‐fMRI signal and may lead to the development of new, frequency‐based rs‐fMRI metrics. Our study demonstrates that Fourier analysis of the fMRI signal can reveal novel information about aging. Furthermore, fMRI and EEG signals reflect different aspects of age‐ and sex‐related brain differences, but the signal frequency and complexity, instead of amplitude, may hold their link.
The effect of involuntary retirement on healthcare use
Authors: Bíró Anikó , Branyiczki Réka , Elek Péter
Published: March 2022

We analyze the causal effect of involuntary retirement on detailed indicators of healthcare use and mortality. We leverage a pension reform in Hungary which forced public sector workers above the statutory retirement age to full time retirement. Using rich administrative data, we find that on the 3‐year horizon, involuntary retirement decreases the number of primary care doctor visits, the use of systemic antiinfectives and respiratory drugs, and the non‐zero spending on antiinfectives, the drugs of the alimentary tract and metabolism and of the cardiovascular system. The impact on the latter two drug categories is driven by the drop in income due to involuntary retirement. We conclude that there is little evidence for health deteriorating effects of involuntary retirement and discuss the possible mechanisms behind our results.
Finding a consensus on time‐to‐event endpoints definitions in marginal zone lymphoma: A Delphi method
Authors: Bommier Côme , Lambert Jérôme , Nowakowski Grzegorz , Zucca Emanuele , Thieblemont Catherine
Published: March 2022

A recent systematic review reported that trials involving patients with marginal zone lymphoma (MZL) show marked heterogeneity both in the choice and definitions of primary and secondary endpoints, thus hampering comparability between trials. The main objective of this study was to reach consensus, through a Delphi process, on the definitions of four time‐to‐event endpoints in MZL trials, by surveying clinicians and methodologists involved in the conduct of clinical trials including patients with MZL. We polled a panel of leading international experts involved in MZL trials by means of self‐administered sequential questionnaires in 2021. Of these 105 experts, 62 responded to the Round 1 questionnaire regarding the definitions of progression‐free survival (PFS), event‐free survival (EFS), time‐to‐failure (TTF), and time‐to‐next‐treatment (TTNT). Afterward, we therefore focused the Round 2 and 3 questionnaires among principal investigators, coinvestigators, and trial methodologists. Consensus was reached when there was a >80% agreement on all potential events (11 choices) of each endpoint. Participants in our survey reached consensus on three of the four time‐to‐event endpoints definitions. Consensus was reached on the definitions of PFS and TTNT after Round 1, of TTF after Round 2, and was not reached for EFS after Round 3. The disagreement concerned the event “treatment discontinuation” in EFS definition. The main interest of our study was to elicit investigator's interest in the importance of consistently defining endpoints in MZL trials and to highlight that composite endpoints should not be encouraged. Fifteen years after the last consensus statement on time‐to‐event endpoints definitions issued in Lugano (2007), both the review of literature and survey of international investigators agree on the inconsistency of endpoints definitions used within the MZL community. Hopefully, revised standardized definitions of endpoints shall be provided at the upcoming International Conference on Malignant Lymphoma in 2023.
Quadratic mixed convective nanofluid flow past a moving yawed cylinder in the presence of thermal radiation and diffusive liquids
Authors: Patil Prabhugouda M. , Shankar Hadapad F. , Sheremet Mikhail A.
Published: March 2022

The fluid flow around a yawed cylinder helps to understand the practical implications for undersea applications, such as managing transference, separating the boundary layer above submerged blocks, and suppressing recirculating bubbles. As many authors such as Roy, Chiu and Lienhard, Roy and Saikrishnan, and Revathi et al. have analyzed a boundary layer flow over a yawed cylinder, and their work sticks to only forced convection, we are interested to work on mixed convection flow. Therefore, the work of these researchers has stimulated us to work on the present article. As a result, we have examined the work on triple diffusion quadratic mixed convective nanofluid flow over a moving yawed cylinder. The impact of yaw angle, which exists due to the inclination of a vertically moving cylinder away from the origin, is mathematically investigated in the present paper by converting the governing equations into a compatible form using appropriate nonsimilar transformations and the quasilinearization technique. Nanofluids have crucial usages in science and technology, marine engineering, and applications in industries such as plastic, polymer industries, cancer home therapy, and building sciences. Many processes in new engineering areas occur at high temperatures, and knowledge of radiation heat transfer becomes very important for designing the pertinent equipment. Nuclear power plants, gas turbines, and the various propulsion devices for aircraft, missiles, satellites, and space vehicles are examples of such engineering areas. The finite difference approximation is employed to solve the resulting equations. Enhancing the magnitude of thermal radiation enhances the temperature of the liquid and the energy transport strength. However, liquid hydrogen and liquid oxygen species concentration patterns are reduced in nanofluid compared to traditional liquids. At the same time, the outcomes behave conversely in the case of their wall gradients. Furthermore, the temperature of the liquid enhances the enhancing values of Brownian motion and thermophoresis characteristics. Moreover, nanoparticle mass transport augments with enhancing yaw angle and Lewis number values. Both species' concentration profiles decrease for increasing values of yaw angle. The velocity profiles increase for increasing values of velocity ratio parameter in the spanwise and chordwise directions.
Evaluating educational performance and achievements of faculty in general medicine departments of Japanese universities
Authors: Tago Masaki , Shikino Kiyoshi , Watari Takashi , Hirata Risa , Yamashita Shun , Tokushima Yoshinori , Tokushima Midori , Katsuki Naoko E. , Fujiwara Motoshi , Yamashita Shu‐ichi
Published: March 2022

A cross‐sectional questionnaire‐based study was conducted to examine whether the educational performance and achievements are appropriately recognized and contribute to their promotion in university hospitals. We found that the chairpersons of those general medicine departments believed that educational performance had not been appropriately evaluated; educational achievements did not receive sufficient consideration for promotion compared with the performance and achievements related to clinical and research activities.
Death among patients hospitalized with symptomatic COVID‐19: Implications for high‐risk patients
Authors: Stefan Mihaela S. , Eltanbedawi Ahmed , Devoe Neil C. , Khan Sabiha , Zhou Ya , Latef Taroob , Esposito Anthony , Fatima Anum , Knee Alexander B. , Lagu Tara C.
Published: March 2022

Background

We aimed to examine the role played by the COVID‐19 infection in patients' death and to determine the proportion of patients for whom it was a major contributor to death.

Methods

We included patients ≥50 years old who were hospitalized with COVID‐19 infection and died between March 1, 2020 and September 30, 2020 in a tertiary medical center. We considered COVID‐19 infection to be a major cause for death if the patient had well‐controlled medical conditions and death was improbable without coronavirus infection, and a minor cause for death if the patient had serious illnesses and had an indication for palliative care.

Results

Among 243 patients, median age was 80 (interquartile intervals: 72–86) and 40% were female. One in two had moderate or severe frailty and 41% had dementia. Nearly 60% of the patients were classified as having advanced, serious illnesses present prior to the hospitalization, with death being expected within 12 months, and among this group 39% were full code at admission. In the remaining 40% of patients, deaths were classified as unexpected based on patients' prior conditions, suggesting that COVID‐19 infection complications were the primary contributor to death.

Conclusions

For slightly less than half (40%) of patients who died of complications of COVID‐19, death was an unexpected event. Among the 60% of patients for whom death was not a surprise, our findings identify opportunities to improve end‐of‐life discussions and implement shared decision‐making in high‐risk patients early on or prior to hospitalization.
Child Opportunity Index 2.0 and acute care utilization among children with medical complexity
Authors: Fritz Cristin Q. , Hall Matt , Bettenhausen Jessica L. , Beck Andrew F. , Krager Molly K. , Freundlich Katherine L. , Ibrahim Dena , Thomson Joanna E. , Gay James C. , Carroll Alison R. , Neeley Maya , Frost Patricia A. , Herndon Alison C. , Kehring Allysa L. , Williams Derek J.
Published: March 2022

Background

Disproportionately high acute care utilization among children with medical complexity (CMC) is influenced by patient‐level social complexity.

Objective

The objective of this study was to determine associations between ZIP code‐level opportunity and acute care utilization among CMC.

Design, Setting, and Participants

This cross‐sectional, multicenter study used the Pediatric Health Information Systems database, identifying encounters between 2016–2019. CMC aged 28 days to <16 years with an initial emergency department (ED) encounter or inpatient/observation admission in 2016 were included in primary analyses.

Main Outcome and Measures

We assessed associations between the nationally‐normed, multi‐dimensional, ZIP code‐level Child Opportunity Index 2.0 (COI) (high COI = greater opportunity), and total utilization days (hospital bed‐days + ED discharge encounters). Analyses were conducted using negative binomial generalized estimating equations, adjusting for age and distance from hospital and clustered by hospital. Secondary outcomes included intensive care unit (ICU) days and cost of care.

Results

A total of 23,197 CMC were included in primary analyses. In unadjusted analyses, utilization days decreased in a stepwise fashion from 47.1 (95% confidence interval: 45.5, 48.7) days in the lowest COI quintile to 38.6 (36.9, 40.4) days in the highest quintile (p < .001). The same trend was present across all outcome measures, though was not significant for ICU days. In adjusted analyses, patients from the lowest COI quintile utilized care at 1.22‐times the rate of those from the highest COI quintile (1.17, 1.27).

Conclusions

CMC from low opportunity ZIP codes utilize more acute care. They may benefit from hospital and community‐based interventions aimed at equitably improving child health outcomes.
Preoperative Evaluation of Gd‐EOB‐DTPA‐Enhanced MRI Radiomics‐Based Nomogram in Small Solitary Hepatocellular Carcinoma (≤3 cm) With Microvascular Invasion: A Two‐Center Study
Authors: Tian Yaqi , Hua Hui , Peng Qiqi , Zhang Zaixian , Wang Xiaolin , Han Junqi , Ma Wenjuan , Chen Jingjing
Published: March 2022

Background

Preoperative evaluation of microvascular invasion (MVI) in small solitary hepatocellular carcinoma (HCC; maximum lesion diameter ≤ 3 cm) is important for treatment decisions.

Purpose

To apply gadolinium ethoxybenzyl diethylenetriamine pentaacetic acid (Gd‐EOB‐DTPA)‐enhanced MRI to develop and validate a nomogram for preoperative evaluation of MVI in small solitary HCC and to compare the effectiveness of radiomics evaluation models based on different volumes of interest (VOIs).

Study Type

Retrospective.

Population

A total of 196 patients include 62 MVI‐positive and 134 MVI‐negative patients were enrolled (training cohort, n = 105; testing cohort, n = 45; external validation cohort, n = 46).

Field Strength/Sequence

3.0 T, fat suppressed fast‐spin‐echo T2‐weighted and Gd‐EOB‐DTPA‐enhanced T1‐weighted magnetization‐prepared rapid gradient‐echo sequences.

Assessment

Radiomics features were extracted on T2‐weighted, arterial phase (AP), and hepatobiliary phase (HBP) images from different VOIs (VOIintratumor and VOIintratumor+peritumor) and filtered by the least absolute shrinkage selection operator (LASSO) regression. From VOIintratumor and VOIintratumor+peritumor, eight radiomics models were constructed based on three MRI sequences (T2‐weighted, AP, and HBP) and fused sequences (combined of three sequences). Nomograms were constructed of a clinical‐radiological (CR) model and a clinical‐radiological‐radiomics (CRR) model.

Statistical Tests

One‐way analysis of variance, independent t‐test, Chi‐square test or Fisher's exact test, Wilcoxon rank‐sum test, LASSO, logistic regression analysis, area under the curve (AUC), nomograms, decision curve, net reclassification improvement (NRI), integrated discrimination improvement (IDI) analyses, and DeLong test.

Results

Among eight radiomics models, the fused sequences‐based VOIintratumor+peritumor radiomics model showed the best performance. The CRR model containing the best performance radiomics model and CR model with the AUC values were 0.934, 0.889, and 0.875, respectively. NRI and IDI analyses showed that the CRR model improved evaluation efficacy over the CR model for all three cohorts (all P‐value <0.05).

Data Conclusion

The CRR model nomogram could preoperatively evaluate MVI in small solitary HCC. The radiomics model based on VOIintratumor+peritumor might achieve better evaluation results.

Evidence Level

4

Technical Efficacy Stage

2
Numerical investigation of a new sensor for blood glucose detection using an improved wave concept iterative process method
Authors: Oueslati Afef , Hlali Aymen , Zairi Hassen
Published: March 2022

Glucose monitoring using a noninvasive, rapid and nondestructive devices is becoming a very challenging task in the present time. This paper presents a modeling and an analysis of an electromagnetic sensor for blood glucose level detection, based on the wave concept iterative process (WCIP) method and operating in the terahertz (THZ) frequency range. The theoretical aspects about the WCIP algorithm, the plasma modeling, and integration into this approach were introduced. The effect of the geometrical parameters variation on the sensor's response was investigated and a comparative study of the obtained results with the high frequency structure simulator (HFSS) simulator is presented in the purpose of the verification. The numerical simulation results using the WCIP method show that the proposed sensor is suitable for the blood glucose monitoring since it was able to detect the lowest and the highest blood concentrations (0 mg/dl and 16 000 mg/dl). The sensing parameters: the quality factor (Q‐factor), figure of merits (FOM), and the sensitivity of the device were calculated in order to prove its efficiency. The Q‐factor varied from 2.26 to 3.06, the sensitivity varied from 0.0501 to 0.0192 (THZ/RIU) and the FOM varied from 0.5758 to 0.3147 RIU−1 for 0 mg/dland 16 000 mg/dl respectively.
Calcium signaling in individual APP/PS1 mouse dentate gyrus astrocytes increases ex vivo with Aβ pathology and age without affecting astrocyte network activity
Authors: Huffels Christiaan F. M. , Osborn Lana M. , Cappaert Natalie L. M. , Hol Elly M.
Published: March 2022

Astrocytes are critical for healthy brain function. In Alzheimer’s disease, astrocytes become reactive, which affects their signaling properties. Here, we measured spontaneous calcium transients ex vivo in hippocampal astrocytes in brain slices containing the dentate gyrus of 6‐ (6M) and 9‐month‐old (9M) APPswe/PSEN1dE9 (APP/PS1) mice. We investigated the frequency and duration of calcium transients in relation to aging, amyloid‐β (Aβ) pathology, and the proximity of the astrocyte to Aβ plaques. The 6M APP/PS1 astrocytes showed no change in spontaneous calcium‐transient properties compared to wild‐type (WT) astrocytes. 9M APP/PS1 astrocytes, however, showed more hyperactivity compared to WT, characterized by increased spontaneous calcium transients that were longer in duration. Our data also revealed an effect of aging, as 9M astrocytes overall showed an increase in calcium activity compared to 6M astrocytes. Subsequent calcium‐wave analysis showed an increase in sequential calcium transients (i.e., calcium waves) in 9M astrocytes, suggesting increased network activity ex vivo. Further analysis using null models revealed that this network effect is caused by chance, due to the increased number of spontaneous transients. Our findings show that alterations in calcium signaling in individual hippocampal astrocytes of APP/PS1 mice are subject to both aging and Aβ pathology but these do not lead to a change in astrocyte network activity. These alterations in calcium dynamics of astrocytes may help to understand changes in neuronal physiology leading to cognitive decline and ultimately dementia.
The kinetics of ammonium uptake and oxidation across the Southern Ocean
Authors: Mdutyana Mhlangabezi , Sun Xin , Burger Jessica M. , Flynn Raquel F. , Smith Shantelle , van Horsten Natasha R. , Roychoudhury Alakendra N. , Planquette Hélène , Bucciarelli Eva , Thomalla Sandy J. , Ward Bess B. , Fawcett Sarah E.
Published: March 2022

Central to the Southern Ocean's role in setting atmospheric CO2 is the seasonal alternation between upward mixing of nutrients and their subsequent consumption by phytoplankton. Active nutrient cycling within the mixed layer, including the release of ammonium (NH4+) and its removal by phytoplankton and nitrifiers, also affects Southern Ocean CO2 drawdown, yet remains poorly understood. We conducted kinetics experiments across the Southern Ocean south of Africa to investigate the dependence of NH4+ uptake (summer, winter) and oxidation (winter) on NH4+ concentration. NH4+ uptake followed a Michaelis–Menten function in both seasons, with the maximum rate (Vmax) decreasing poleward, apparently controlled mainly by light in winter and temperature in summer. The half‐saturation constant (Km) increased poleward with increasing ambient NH4+ ([NH4+]amb) and was threefold higher in winter (150–405 nM) than in summer (41–115 nM), suggesting that summertime phytoplankton are adapted to low‐NH4+ conditions while winter communities typically receive a higher NH4+ supply. NH4+ oxidation showed a high affinity for NH4+ (Km = 28–137 nM), suggesting a dominant role for ammonia‐oxidizing archaea, and followed a Michaelis–Menten curve only when [NH4+]amb was ≤ 90 nM. Vmax was near‐constant across the region regardless of [NH4+]amb, temperature, or light. From coincident mixed‐layer NH4+ oxidation and iron measurements, we hypothesize that iron availability may (co‐)limit the Vmax of NH4+ oxidation. If verified, this suggestion has implications for models that parameterize nitrification as a linear function of [NH4+]amb. Additionally, iron depletion may limit the role of mixed‐layer nitrification, which is dominant in the winter Southern Ocean, in offsetting phytoplankton CO2 drawdown annually.
Solvent Remodeling in Single‐Chain Amphiphilic Heteropolymer Systems
Authors: Hilburg Shayna L. , Alexander‐Katz Alfredo
Published: March 2022

This work demonstrates the remodeling of single‐chain nanoparticles (SCNPs) upon a transition to organic solvent through molecular dynamics simulations. Methacrylate‐based random heteropolymers (RHPs), assembled via transient noncovalent linkages in water, have shown promise in an assortment of applications that harness their bio‐inspired properties. While their molecular behavior has been broadly characterized in aqueous environments, many newer applications include the use of organic solvent rather than bio‐mimetic conditions. The polymer assemblies, typically driven by the hydrophobic effect in water, are less well understood in nonaqueous solution. Here, a specific RHP system is examined which forms compact globular morphologies in highly polar or highly nonpolar environments while adopting extended conformations in solvents of intermediate polarity. The pivotal role of electrostatic interactions between charge groups in low dielectric mediums is also observed. Finally, high temperature anneal cycles are compared to room temperature transformations to illuminate barriers to remodeling upon environmental changes.
Crank–Nicolson finite difference schemes for parabolic optimal Dirichlet boundary control problems
Authors: Yang Caijie , Sun Tongjun
Published: March 2022

In this paper, we adopt the optimize‐then‐discretize approach to solve parabolic optimal Dirichlet boundary control problems. First, we derive the first‐order necessary optimality system, which includes the state, co‐state equations, and the optimality condition. Then, we propose Crank–Nicolson finite difference schemes to discretize the optimality system in 1D and 2D cases, respectively. In order to build the second‐order spatial approximation, we use the ghost points on the boundary in the schemes. We prove that the proposed schemes are unconditionally stable, compatible, and second‐order convergent in both time and space. To avoid solving the large coupled schemes directly, we use the iterative method. Finally, we present several numerical examples to validate our theoretical analysis.
Design of compact dual‐band substrate integrated waveguide filtenna
Authors: Guo Bao‐Cang , Hu Kun‐Zhi , Yan Dong , Pan Shuai‐Yu , Tang Ming‐Chun , Wang Ping
Published: March 2022

A compact dual‐band substrate integrated waveguide (SIW) filtenna is presented. A dual‐mode SIW cavity, resonating at its fundamental mode TE110 and high‐order mode TE120, which respectively dominate the lower and upper passbands, is employed as the feeding cavity. After that, a slot‐loaded SIW cavity, performing as two half‐mode radiating cavities, is perpendicularly arranged over the feeding cavity for the purpose of expanding the operational bandwidth and also strengthening the filtering response. Furthermore, two metal posts are utilized to independently regulate the coupling strength of magnetoelectric energy of the two passbands, respectively. A prototype of this dual‐band SIW filtenna is designed, fabricated, and tested for validation. The measured results agree well with the simulated values, demonstrating that the maximum realized gains are 4.9 and 5.38 dBi, and the impedance bandwidths are 2.1% (2.792–2.852 GHz) and 4.1% (3.992–4.16 GHz) for lower and upper passbands, respectively.
Texture‐aware dual domain mapping model for low‐dose CT reconstruction
Authors: Wang Huafeng , Zhao Xuemei , Liu Wanquan , Li Lihong C. , Ma Jianhua , Guo Lei
Published: March 2022

Background

Remarkable progress has been made for low‐dose computed tomography (CT) reconstruction tasks by applying deep learning techniques. However, establishing an intrinsic link between deep learning techniques and CT texture preservation is still one of the significant challenges for researchers to further improve the effect of low‐dose CT (LDCT) reconstruction.

Purpose

Most of the existing deep learning‐based LDCT reconstruction methods are derived from popular frameworks, and most models focus on the image domain. Even few existing methods start with dual domains (sinogram and image) by considering the processing of the data itself, the final performances are limited due to the lack of perception of textures. With this in mind, we propose a method for texture perception on dual domains, so that the reconstruction process can be uniformly driven by visual effects.

Methods

The proposed method involves the processing of two domains: the sinogram domain and the image domain. For the sinogram domain, we have designed a novel dilated residual network (S‐DRN) which aims to increase the receptive field to obtain multiscale information. For the image domain, we propose a self‐attention (SA) residual encoder & decoder network (SRED‐Net) as the denoising network for obtaining much acceptable edges and textures. In addition, the composite loss function composed of the feature loss constructed by the proposed boundary and texture feature‐aware network (BTFAN) and the mean square error (MSE) can obtain a higher image quality while retaining more details and fewer artifacts, thereby obtaining better visual image quality.

Results

The proposed method was validated using both the American association of physicists in medicine (AAPM)‐Mayo clinic LDCT data sets and a real clinic data. Experimental results demonstrated that the new method has achieved the state‐of‐the‐art performance on objective indicators and visual metrics in terms of denoising and texture restoration.

Conclusions

Compared with single‐domain or existing dual‐domain processing strategies, the proposed texture‐aware dual domain mapping network (TADDM‐Net) can much better improve the visual effect of reconstructed CT images. Meantime, we also provide much intuitive evidence in terms of model interpretability.
The Internet regulation turn? Policy, Internet and technology
Authors: Stilinovic Milica , Hutchinson Jonathon
Published: March 2022

During a chaotic time for most in which our virtual world, made possible through the internet and its affordances, Policy & Internet sought the voices of scholars, practitioners, policymakers, and higher degree researchers to rethink our internet, its policy and the surrounding communication technology within our contemporary society. One emerging and overarching theme became apparent as our network of global scholars provided their insights into the academic puzzle and broader societal impact surrounding the future of the internet. That is, an ambiguity. More specifically, ambiguity as the core consideration that acts as a critical and connective glue for which we can approach the research of the internet for the coming three to five years, and a way to connect universal elements which underpin our scholarship all at once.
Evolving Heterotic Gauge Backgrounds: Genetic Algorithms versus Reinforcement Learning
Authors: Abel Steven , Constantin Andrei , Harvey Thomas R. , Lukas Andre
Published: March 2022

The immensity of the string landscape and the difficulty of identifying solutions that match the observed features of particle physics have raised serious questions about the predictive power of string theory. Modern methods of optimisation and search can, however, significantly improve the prospects of constructing the standard model in string theory. In this paper we scrutinise a corner of the heterotic string landscape consisting of compactifications on Calabi‐Yau three‐folds with monad bundles and show that genetic algorithms can be successfully used to generate anomaly‐free supersymmetric GUTs with three families of fermions that have the right ingredients to accommodate the standard model. We compare this method with reinforcement learning and find that the two methods have similar efficacy but somewhat complementary characteristics.
Raman Study of the Comparative Effects of Conventional and Microwave Annealing on MgTiO3 Thin Films Sputtered on Si Substrate
Authors: Strenaer Raphaël , Guhel Yannick , Gharbi Walid , Macaigne Rodolphe , Marinel Sylvain , Boudart Bertrand
Published: March 2022

The impact of conventional and microwave annealing (CA and MA, respectively) on MgTiO3 thin films sputtered on a silicon substrate has been investigated by Raman spectroscopy. This article studies the impact of temperature, time, and atmosphere used for CA and MA on the structural properties of these layers. The results show that the MgTiO3 film crystallinity is better after an MA performed at 800 °C for 5 min under air atmosphere. At the same time, the oxygen vacancies density in the layer is lower. Moreover, the occurrence of the TiO2, Mg2TiO4, and MgTi2O5 phases after CA and MA is strongly dependent on the temperature, time, and atmosphere of the annealing process as well as the type of annealing. To our knowledge, this is the first time that the impact of MA on the structural properties of MgTiO3 films has been compared to that of CA and studied by Raman spectroscopy.
Atomically Precise Delineation of As Antisite Defect States from Undoped Gallium Arsenide Host Lattice by Scanning Tunneling Microscopy and Spectroscopy Measurements and Density Functional Theory Calculations
Authors: Balgos Maria Herminia M. , Escaño Mary Clare S. , Jaculbia Rafael B. , Quang Nguyen Tien , Prieto Elizabeth Ann P. , Estacio Elmer S. , Salvador Arnel A. , Somintac Armando S. , Tani Masahiko , Hayazawa Norihiko , Kim Yousoo
Published: March 2022

Using a combination of scanning tunneling microscopy (STM) and spectroscopy with density functional theory calculations, the electronic properties of the subsurface arsenic antisite defect (AsGa) are unambiguously delineated from those of the surrounding As atoms in undoped gallium arsenide (GaAs) lattice with atomic precision. In the GaAs(110) surface with AsGalocated at the second layer (2‐AsGa), it is found that the midgap state induced by 2‐AsGamanifests as a bright contrast at the AsGaAs bond site. Furthermore, it is shown that STM images taken at large magnitudes of negative sample bias are dominated by the local density of states of neighboring surface As atoms. These states lead to a four‐lobe symmetric contrast in the filled‐state STM image around the 2‐AsGadefect. These results provide insights for surface/subsurface defect engineering at the atomic scale.