bluuebunny/crossref_metadata_2025 huggingface dataset:
Simulation of the Doi–Edwards model in complex flow
Authors: van Heel A. P. G. , Hulsen M. A. , van den Brule B. H. A. A.
Published: July 2002

The Doi–Edwards model is simulated in startup of two-dimensional complex flow. The flow geometry is that of a cylinder confined between two parallel plates. Two different, new simulation methods are used. The first is based on the configuration field approach. The second method is a new method which is introduced in this paper. We refer to this approach as the deformation field method. Theoretically the methods are equivalent. It will be shown that the deformation field approach is very efficient. Furthermore, the method opens up possibilities of studying extensions of the Doi–Edwards model which include tube-stretch and convected constraint release.
Real-time Analysis of Skin Biopsy Specimens With 2-Photon Fluorescence Microscopy
Authors: Ching-Roa Vincent D. , Huang Chi Z. , Ibrahim Sherrif F. , Smoller Bruce R. , Giacomelli Michael G.
Published: September 2022

Importance

Nonmelanoma skin cancers (NMSCs) are primarily diagnosed through paraffin section histologic analysis of skin biopsy specimens that requires days to weeks before a formal diagnosis is reported. Two-photon fluorescence microscopy (TPFM) has the potential for point-of-care diagnosis of NMSC and other dermatologic conditions, which could enable same-visit diagnosis and treatment.

Objective

To demonstrate that TPFM imaging of NMSC can occur within minutes of obtaining biopsies and provide similar histological features to those of conventional histology and evaluate TPFM diagnostic performance with respect to conventional histology.

Design, Setting, and Participants

This comparative effectiveness pilot study examined 29 freshly excised biopsies from confirmed NMSC lesions in patients presenting for treatment. Biopsies underwent imaging immediately with TPFM on site at Rochester Dermatologic Surgery (Victor, New York) between October 2019 and August 2021. The imaged biopsies were subsequently submitted for paraffin histology to produce coregistered images. Twelve of these coregistered image pairs (41.4%) were used as a training set. Fifteen (51.7%) were used in a masked evaluation by a board-certified dermatopathologist. Two (6.9%) were excluded from the study before evaluation because they could not be coregistered.

Main Outcomes and Measures

Sensitivity, specificity, and accuracy of TPFM for NMSC biopsies were evaluated compared with conventional histology.

Results

Fourteen of the 15 biopsy specimens (93.3%) in the evaluation set were identically diagnosed with TPFM and paraffin histology. The TPFM had 100% sensitivity (95% CI, 48%-100%), 100% specificity (95% CI, 69%-100%), and 100% accuracy (95% CI, 78%-100%) for basal cell carcinoma diagnosis. For squamous cell carcinoma diagnosis, TPFM had 89% sensitivity (95% CI, 52%-100), 100% specificity (95% CI, 54%-100%), and 93% accuracy (95% CI, 68%-100%). For overall NMSC diagnosis, TPFM had a 93% sensitivity (95% CI, 66%-100%), 100% specificity (95% CI, 3%-100%), and 93% accuracy (95% CI, 68%-100%). Examination of the 1 discordant pair revealed mismatched imaging planes as the source of error.

Conclusions and Relevance

The results of this comparative effectiveness pilot study suggest that TPFM captures histological characteristics of NMSC that are present in conventional histology, which reveals its potential as a rapid, point-of-care diagnostic alternative that does not need extensive sample preparation or retraining for image evaluation. Further validation of TPFM imaging performed for a larger cohort is needed to fully evaluate its diagnostic accuracy and potential effect within the field.
Application of Statistical Learning to Identify Omicron Mutations in SARS-CoV-2 Viral Genome Sequence Data From Populations in Africa and the United States
Authors: Zhao Lue Ping , Lybrand Terry P. , Gilbert Peter , Madeleine Margaret , Payne Thomas H. , Cohen Seth , Geraghty Daniel E. , Jerome Keith R. , Corey Lawrence
Published: September 2022

Importance

With timely collection of SARS-CoV-2 viral genome sequences, it is important to apply efficient data analytics to detect emerging variants at the earliest time.

Objective

To evaluate the application of a statistical learning strategy (SLS) to improve early detection of novel SARS-CoV-2 variants using viral sequence data from global surveillance.

Design, Setting, and Participants

This case series applied an SLS to viral genomic sequence data collected from 63 686 individuals in Africa and 531 827 individuals in the United States with SARS-CoV-2. Data were collected from January 1, 2020, to December 28, 2021.

Main Outcomes and Measures

The outcome was an indicator of Omicron variant derived from viral sequences. Centering on a temporally collected outcome, the SLS used the generalized additive model to estimate locally averaged Omicron caseload percentages (OCPs) over time to characterize Omicron expansion and to estimate when OCP exceeded 10%, 25%, 50%, and 75% of the caseload. Additionally, an unsupervised learning technique was applied to visualize Omicron expansions, and temporal and spatial distributions of Omicron cases were investigated.

Results

In total, there were 2698 cases of Omicron in Africa and 12 141 in the United States. The SLS found that Omicron was detectable in South Africa as early as December 31, 2020. With 10% OCP as a threshold, it may have been possible to declare Omicron a variant of concern as early as November 4, 2021, in South Africa. In the United States, the application of SLS suggested that the first case was detectable on November 21, 2021.

Conclusions and Relevance

The application of SLS demonstrates how the Omicron variant may have emerged and expanded in Africa and the United States. Earlier detection could help the global effort in disease prevention and control. To optimize early detection, efficient data analytics, such as SLS, could assist in the rapid identification of new variants as soon as they emerge, with or without lineages designated, using viral sequence data from global surveillance.
Engineering the Framework Cobalt and Hierarchical Pores of Aluminophosphates for Enhanced Performance in n‐Butene Skeletal Isomerization
Authors: Li Jianjun , Chen Wenhan , Wang Haolin , Guo Lili , Zhang Nuowei , Zheng Jinbao , Fu Jile , Nitani Hiroaki , Chen Binghui
Published: September 2022

An effective method is proposed to synthesize a hierarchical Co‐doped AlPO4 molecular sieve (CoAIP‐CTAB). For the obtained zeolite, both framework and extra framework Co are firstly established and identified by X‐ray absorption fine structure (XAFS). The percentage of framework Co (P–O–Co–O–P) is estimated to be 82%. Due to the hierarchical structure and abundant Co sites in the framework, CoAIP‐CTAB nanocrystals have shown high catalytic activity and stability for the catalytic conversion of n‐butenes to isobutene at mild temperature (350 °C) without gas dilution. This novel synthesis strategy may inspire the design of similar types of industrial zeolite catalysts for selective reactions.
High Aspect‐ratio Germanium‐Tin Alloy Nanowires: Potential as Highly Efficient Li‐Ion Battery Anodes
Authors: Garcia‐Gil Adrià , Biswas Subhajit , McNulty David , Roy Ahin , Ryan Kevin M. , Nicolosi Valeria , Holmes Justin D.
Published: September 2022

Here, the fabrication of a high aspect ratio (>440) Ge1−xSnx nanowires with super‐thin (≈9 nm) diameter, much below the Bohr radius, using a simple solvothermal‐like growth method under supercritical toluene conditions at a reaction temperature of 440 °C is reported. Ge1−xSnx nanowires are grown with varying amounts of Sn in Ge lattice, between 3.1 to 10.2 at%. The growth of the Ge1−xSnx alloy nanowires is achieved without any additional catalysts, and directly on current collector substrates (titanium) for application as Li‐ion battery anodes. The electrochemical performance of the binder‐free Ge1−xSnx nanowires as an anode material for Li‐ion batteries is investigated via galvanostatic cycling and detailed analysis of differential capacity plots. The dimensions of the nanowires, and the amount of Sn in Ge, are critical to achieving a high specific capacity and capacity retention. Ge1−xSnx nanowires with the highest aspect ratios and with the lowest Sn content (3.1 at%) demonstrate exceptional capacity retention of ≈90% and 86% from the 10th to the 100th and 150th cycles respectively, while maintaining a very high specific capacity value of 1176 and 1127 mAh g−1 after the 100 and 150 cycles respectively.
Fe3O4 Nanoparticles Enhanced Amorphous Ferric Silicate/Reduced Graphene Oxide for High‐Performance Lithium‐Ion Storage
Authors: Li Huan , Tang Chunjuan , An Xiuyun , Li Jili , Min Zhiyu , Wang Fang , Liang Chaoxi , Wang Changqing , Han Dongfeng , Liu Jia
Published: September 2022

Ferric silicate (FS) has been explored as a potential lithium ion batteries candidate for its environment benign, low cost, rich reserves, and high capacity. Despite these advantages, poor electronic conductivity and large volume variation obstruct its practical utilization. To improve its electrochemical performance, a unique hybrid structure with Fe3O4@ferric silicate nanosheets anchored on the reduced graphene oxide (FO@FS/RGO) is fabricated. The disordered amorphous nanosheet structure of FS not only shortens the transferred length for lithium ions but also facilities the Li+ diffusion and can effectively keep the structure integrity. RGO substrate ameliorates the electronic conductivity and slackens the strain upon cycling. Fe3O4 (FO) nanoparticles embedded in FS further boost the electronic conductivity and the lithium storage capability. The synergistic effects bestow the composite superior electrochemical properties. FO@FS/RGO shows high reversible capacity of 1113 mA h g−1 at 0.2 A g−1, an excellent rate performance of 681 mA h g−1 at 2 A g−1, and a splendid cycling stability with a capacity of 859 mA h g−1 at 1 A g−1 after 800 cycles.
Efficient Semitransparent Perovskite Solar Cells Based on Thin Compact Vacuum Deposited CH3NH3PbI3 Films
Authors: Paliwal Abhyuday , Mardegan Lorenzo , Roldan‐Carmona Cristina , Palazon Francisco , Liu Ting‐Yu , Bolink Henk J.
Published: September 2022

Lead halide perovskite materials are promising candidates for the application of semitransparent solar cells due to their bandgap tunability and high device efficiencies. The high absorption coefficient of these materials, however, makes it difficult to attain high average visible transmittance values without compromising the power conversion efficiencies (PCEs). In this work, a co‐evaporation process is employed to fabricate thin (50 and 100 nm) methylammonium lead iodide (MAPI) perovskite films and integrate them in semitransparent perovskite solar cells (ST‐PSCs). Due to the compact nature of the thin MAPI films, the resultant fully vacuum and room temperature‐processed devices demonstrate high fill factor values approaching 80% and open‐circuit voltage values close to 1100 mV. As a result of this, the ST‐PSCs exhibit PCE's as high as 9% with a photopic average visible transmittance of the full device of 23%.
Mid‐ to Far‐Infrared Anisotropic Dielectric Function of HfS2 and HfSe2
Authors: Kowalski Ryan A. , Nolen Joshua Ryan , Varnavides Georgios , Silva Sebastian Mika , Allen Jack E. , Ciccarino Christopher J. , Juraschek Dominik M. , Law Stephanie , Narang Prineha , Caldwell Joshua D.
Published: September 2022

The far‐infrared (far‐IR) remains a relatively underexplored region of the electromagnetic spectrum extending roughly from 20 to 100 µm in free‐space wavelength. Research within this range has been restricted due to a lack of optical materials that can be optimized to reduce losses and increase sensitivity, as well as by the long free‐space wavelengths associated with this spectral region. Here the exceptionally broad Reststrahlen bands of two Hf‐based transition metal dichalcogenides (TMDs) that can support surface phonon polaritons (SPhPs) within the mid‐infrared (mid‐IR) into the terahertz (THz) are reported. In this vein, the IR transmission and reflectance spectra of hafnium disulfide (HfS2) and hafnium diselenide (HfSe2) flakes are measured and their corresponding dielectric functions are extracted. These exceptionally broad Reststrahlen bands (HfS2: 165 cm−1; HfSe2: 95 cm−1) dramatically exceed that of the more commonly explored molybdenum‐ (Mo) and tungsten‐ (W) based TMDs (≈5–10 cm−1), which results from the over sevenfold increase in the Born effective charge of the Hf‐containing compounds. This work therefore identifies a class of materials for nanophotonic and sensing applications in the mid‐ to far‐IR, such as deeply sub‐diffractional hyperbolic and polaritonic optical antennas, as is predicted via electromagnetic simulations using the extracted dielectric function.
Phase Transformation and Switching Behavior of Magnetron Plasma Sputtered Ge2Sb2Se4Te
Authors: Vitale Steven A. , Miller Paul , Robinson Paul , Roberts Christopher , Liberman Vlad , Du Qingyang , Zhang Yifei , Popescu Cosmin-Constantin , Shalaginov Mikhail Y. , Kang Myungkoo , Richardson Kathleen A. , Gu Tian , Ríos Carlos , Hu Juejun
Published: September 2022

Despite their importance in applications such as nonvolatile memory, integrated photonics, and compact optics, the crystalline‐to‐amorphous transition in chalcogenide phase‐change materials (PCMs) is not understood. Herein, this transition in a technologically relevant infrared (IR) transparent chalcogenide material, Ge2Sb2Se4Te1 (GSST), is examined. Thin films of GSST using fully depleted silicon on insulator (FDSOI) microheaters are discussed and the phase transitions by polarized and unpolarized Raman spectroscopy is studied. It is confirmed that the crystalline‐to‐amorphous transition is driven by conversion of Ge–6Se octahedra to Ge–4Se tetrahedra with the extra Se being incorporated into an Se—Se network. This is similar to the mechanism reported in earlier work for Ge2Sb2Te5 (GST). Recrystallization requires disrupting the Se—Se network and the crystallization activation energy is consistent with the Se—Se bond energy. Across 1000 crystallization–amorphization cycles, GSST exhibits no qualitative change in the Raman spectrum, suggesting limited film oxidation or chemical decomposition. After several hundred cycles, recrystallization is less complete, likely due to dewetting of GSST during the high‐temperature amorphization step leading to compromise of the capping layer and loss of GSST. The utility of GSST as a photonic material through fabrication and testing of a GSST‐coated, integrated silicon photonic Mach–Zender interferometer, is discussed.
Flexible Active Crossbar Arrays Using Amorphous Oxide Semiconductor Technology toward Artificial Neural Networks Hardware
Authors: Pereira Maria Elias , Deuermeier Jonas , Figueiredo Cátia , Santos Ângelo , Carvalho Guilherme , Tavares Vítor Grade , Martins Rodrigo , Fortunato Elvira , Barquinha Pedro , Kiazadeh Asal
Published: September 2022

Memristor crossbar arrays can compose the efficient hardware for artificial intelligent applications. However, the requirements for a linear and symmetric synaptic weight update and low cycle‐to‐cycle (C2C) and device‐to‐device variability as well as the sneak‐path current issue have been delaying its further development. This study reports on a thin‐film amorphous oxide‐based 4×4 1‐transistor 1‐memristor (1T1M) crossbar. The a‐IGZO crossbar is built on a flexible polyimide substrate, enabling IoT and wearable applications. In the novel framework, the thin‐film transistor and memristor are fabricated at the same level, with the same processing steps and sharing the same materials for all layers. The 1T1M cells show linear and symmetrical plasticity characteristic with low C2C variability. The memristor performs like an analog dot product engine and vector–matrix multiplications in the 4×4 crossbars is demonstrated experimentally, in which the sneak‐path current issue is successfully suppressed, resulting in a proof‐of‐concept for a cost‐effective, flexible artificial neural networks hardware.
Triple‐Functional Polyoxovanadate Cluster in Regulating Cathode, Anode, and Electrolyte for Tough Aqueous Zinc‐Ion Battery
Authors: Yang Kai , Hu Yuanyuan , Zhang Tengsheng , Wang Boya , Qin Jiaxiang , Li Ningxu , Zhao Zaiwang , Zhao Junwei , Chao Dongliang
Published: September 2022

Despite a promising outlook due to the intrinsic low cost and high safety, the practical application of aqueous Zn‐ion battery is impeded by the severe mutual problems of cathode dissolution, electrolyte parasitic reactions, and metallic anode dendrite growth. Herein, a triple‐functional strategy is proposed that a polyoxovanadate (POV) cluster of K10[VIV16VV18O82] as a promising Zn2+ host can concomitantly stabilize the cluster cathode, aqueous electrolyte, and metallic Zn anode. An in situ generated cathode electrolyte interface via anodic oxidation is identified as effective in preventing the dissolution of POV cathode. Molecular dynamics simulation and density functional theory calculation confirm that the [VIV16VV18O82]10− polyoxoanions can synergistically suppress electrolyte side reactions by modulating the primary solvation shell of Zn2+‐6H2O, and random anode dendrite growth by in situ constructing a stable solid electrolyte interface of Zn‐POV. As a result, the Zn//POV battery exhibits unprecedented cycling durability over 10 000 cycles at high rates of 5 and 12 A g−1. In a systematic consideration, the findings enlighten the origin of triple‐functional polyoxometalates and will significantly propel the practical development of aqueous batteries.
Hodgkin lymphoma: 2023 update on diagnosis, risk‐stratification, and management
Authors: Ansell Stephen M.
Published: September 2022

Disease Overview

Hodgkin lymphoma (HL) is an uncommon B‐cell lymphoid malignancy affecting 8540 new patients annually and representing approximately 10% of all lymphomas in the United States.

Diagnosis

HL is composed of two distinct disease entities: classical HL and nodular lymphocyte‐predominant HL. Nodular sclerosis, mixed cellularity, lymphocyte depletion, and lymphocyte‐rich HL are subgroups of classical HL.

Risk Stratification

An accurate assessment of the stage of disease in patients with HL is critical for the selection of the appropriate therapy. Prognostic models that identify patients at low or high risk for recurrence, as well as the response to therapy as determined by positron emission tomography scan, are used to optimize therapy.

Risk‐Adapted Therapy

Initial therapy for HL patients is based on the histology of the disease, the anatomical stage, and the presence of poor prognostic features. Patients with early‐stage disease are typically treated with combined modality strategies utilizing abbreviated courses of combination chemotherapy followed by involved‐field radiation therapy, while those with advanced‐stage disease receive a longer course of chemotherapy, often without radiation therapy. However, newer agents, including brentuximab vedotin and anti‐programmed death‐1 (PD‐1) antibodies, are now being incorporated into frontline therapy.

Management of Relapsed/Refractory Disease

High‐dose chemotherapy (HDCT) followed by an autologous stem cell transplant (ASCT) is the standard of care for most patients who relapse following initial therapy. For patients who fail HDCT with ASCT, brentuximab vedotin, PD‐1 blockade, non‐myeloablative allogeneic transplant, or participation in a clinical trial should be considered.
Short stature, hearing loss, retinitis pigmentosa, and distinctive facies syndrome: A case report
Authors: Reeves Ashley , Ojha Kanwal , Meddaugh Hannah , Zambrano Regina M.
Published: September 2022

Short stature, hearing loss, retinitis pigmentosa, and distinctive facies (SHRF) Syndrome is a syndrome recently identified among three German patients. Clinical characteristics include eye disease, sensorineural hearing loss, distinct facial and phalangeal features, short stature, developmental delay, and cerebellar atrophy. In this case report, we discuss a fourth identified patient with genomic mutations in the EXOSC2 gene which codes for a cap protein in the RNA exosome. Whole exome sequencing identified two mutations of unknown clinical significance including: a heterozygous maternal variant, missense mutation NM_014285.7: c427G>A (p.Ala143Thr) in exon 6 and a heterozygous paternal variant, splice donor NM_014285.5: c.801+1G>A in intron 8. Our patient demonstrates a novel clinical presentation within the SHRF disease spectrum.
Cross‐validated permutation feature importance considering correlation between features
Authors: Kaneko Hiromasa
Published: September 2022

In molecular design, material design, process design, and process control, it is important not only to construct a model with high predictive ability between explanatory features x and objective features y using a dataset but also to interpret the constructed model. An index of feature importance in x is permutation feature importance (PFI), which can be combined with any regressors and classifiers. However, the PFI becomes unstable when the number of samples is low because it is necessary to divide a dataset into training and validation data when calculating it. Additionally, when there are strongly correlated features in x, the PFI of these features is estimated to be low. Hence, a cross‐validated PFI (CVPFI) method is proposed. CVPFI can be calculated stably, even with a small number of samples, because model construction and feature evaluation are repeated based on cross‐validation. Furthermore, by considering the absolute correlation coefficients between the features, the feature importance can be evaluated appropriately even when there are strongly correlated features in x. Case studies using numerical simulation data and actual compound data showed that the feature importance can be evaluated appropriately using CVPFI compared to PFI. This is possible when the number of samples is low, when linear and nonlinear relationships are mixed between x and y when there are strong correlations between features in x, and when quantised and biased features exist in x. Python codes for CVPFI are available at https://github.com/hkaneko1985/dcekit.
Stabilization of uncertain networked control systems with actuator saturation and probabilistic cyberattacks
Authors: Huang Xiong , Xing Mali , Mo Haoyi , Hu Shengke , Luo Honglun
Published: September 2022

This paper investigates the stabilization of uncertain networked control systems (NCSs) with actuator saturation and cyberattacks. The cyberattacks are governed by a set of independent random variables satisfying Bernoulli distribution. To relieve the network bandwidth load effectively, an event‐triggered communication strategy is proposed. By employing Lyapunov stability theory and stochastic analysis techniques, a stability criterion is obtained for the system with actuator saturation and cyberattacks. Moreover, the desired controller gain is derived by solving some matrix inequalities. Finally, the validity and applicability of the criteria are verified through numerical examples.
AI for AEC: KI für Bauplanung und Bau
Authors: Wortmann Thomas , Herschel Melanie , Staab Steffen , Tarín Cristina
Published: September 2022

Der Aufsatz bietet eine Übersicht über aktuelle Methoden der Datenintegration, künstlichen Intelligenz (KI), Optimierung und Regelungstechnik und ihre (potenziellen) Anwendungen in Gebäudeplanung und Bau. Die Übersicht behandelt sowohl symbolische KI‐Methoden als auch subsymbolische KI‐Methoden bzw. maschinelles Lernen. Der Aufsatz stellt diese Methoden im Kontext von Anwendungsbeispielen vor, die einen Einblick in aktuelle Forschungsprojekte des Exzellenzclusters „Integratives computerbasiertes Planen und Bauen für die Architektur“ an der Universität Stuttgart bieten: (1) Datenintegration zur Verknüpfung von Datensilos in Planungs‐ und Bauprozessen, (2) Wissensgraphen zur Wissensrepräsentation in multidisziplinären Planungsprozessen, (3) automatisierte Planung zur Planung und Verteilung von Bauaufgaben, (4) überwachtes Lernen zur Abschätzung von aufwendigen Simulationen wie Gebäudeenergiebedarf oder des Verhaltens von natürlichen Materialien wie Holz, (5) unüberwachtes Lernen zur Visualisierung von Optimierungsergebnissen, (6) bestärkendes Lernen zum Bauen mit Fasern und Bambus, (7) simulationsbasierte Optimierung für klimafreundliche Gebäudeplanung und (8) Regelungstechnik zur Steuerung von z. B. Baurobotern. Der Aufsatz kommt zu dem Schluss, dass integratives computerbasiertes Planen und Bauen die Kooperation von Menschen, Material und Maschinen erfordert und dass KI – anstatt Bauplanungs‐ und Bauprozesse lediglich zu automatisieren – diese Kooperation moderieren kann.
Development and validation of a prediction model for early mortality after transcatheter aortic valve implantation (TAVI) based on the Netherlands Heart Registration (NHR): The TAVI‐NHR risk model
Authors: Al‐Farra Hatem , Ravelli Anita C. J. , Henriques José P. S. , Houterman Saskia , de Mol Bas A. J. M. , Abu‐Hanna Ameen ,   NHR THI Registration Committee
Published: September 2022

Background

The currently available mortality prediction models (MPM) have suboptimal performance when predicting early mortality (30‐days) following transcatheter aortic valve implantation (TAVI) on various external populations. We developed and validated a new TAVI‐MPM based on a large number of predictors with recent data from a national heart registry.

Methods

We included all TAVI‐patients treated in the Netherlands between 2013 and 2018, from the Netherlands Heart Registration. We used logistic‐regression analysis based on the Akaike Information Criterion for variable selection. We multiply imputed missing values, but excluded variables with >30% missing values. For internal validation, we used ten‐fold cross‐validation. For temporal (prospective) validation, we used the 2018‐data set for testing. We assessed discrimination by the c‐statistic, predicted probability accuracy by the Brier score, and calibration by calibration graphs, and calibration‐intercept and calibration slope. We compared our new model to the updated ACC‐TAVI and IRRMA MPMs on our population.

Results

We included 9144 TAVI‐patients. The observed early mortality was 4.0%. The final MPM had 10 variables, including: critical‐preoperative state, procedure‐acuteness, body surface area, serum creatinine, and diabetes‐mellitus status. The median c‐statistic was 0.69 (interquartile range [IQR] 0.646–0.75). The median Brier score was 0.038 (IQR 0.038–0.040). No signs of miscalibration were observed. The c‐statistic's temporal‐validation was 0.71 (95% confidence intervals 0.64–0.78). Our model outperformed the updated currently available MPMs ACC‐TAVI and IRRMA (p value < 0.05).

Conclusion

The new TAVI‐model used additional variables and showed fair discrimination and good calibration. It outperformed the updated currently available TAVI‐models on our population. The model's good calibration benefits preprocedural risk‐assessment and patient counseling.
Solitary rectal ulcer syndrome in a young adult – A surgeon's dilemma with rectal carcinoma
Authors: Bhusal Ujwal , Basukala Sunil , Tamang Ayush , Dhakal Subodh , Sharma Shriya , Karki Anuj
Published: September 2022

The presentation of solitary rectal ulcer syndrome is very similar to a wide variety of conditions including inflammatory bowel diseases, ischemic colitis and rectal carcinoma. Histopathological examination comes as an important tool for its diagnosis. Hence, high index of suspicion is required for early diagnosis of this rare condition.
Removal of Phenol from Sour Water by Poly(vinyl Alcohol)/Polyamide‐Reverse Osmosis Membranes
Authors: Shalaby Marwa S. , Mansour Moustapha S. , Eldin Ahmed Badr , Abdallah Heba , Ibrahim Ibrahim Ismail , Abdel Fattah Marwa , Sołowski Gaweł
Published: September 2022

A commercial thin‐film membrane (unmodified) of polyamide improved by poly(vinyl alcohol) (PVA)‐coated membranes (modified) was investigated for separating phenol in sour water by reverse osmosis. Dependences of pressure and pore surface area on flux and phenol rejection were tested. A graphical correlation was found between the relative flux decline and phenol concentration decrease in the feed. The modified membrane provided rejection of 86 % at 2 bar with the highest permeate flux of 8.46 L m−2h−1. The average contact angle for the former membrane was 58.4°, while that for the modified membrane was 49.1°. The reduction in contact angle enhances the surface hydrophilicity of the membrane leading to the antifouling effect. The modified membrane provides 95.4 % flux recovery compared to the unmodified membrane that provides only 66.2 %.
Hydrogen Production through Alkaline Electrolyzers: A Techno‐Economic and Enviro‐Economic Analysis
Authors: Naqvi Syed Arslan Hassan , Taner Tolga , Ozkaymak Mehmet , Ali Hafiz Muhammad
Published: September 2022

Hydrogen production through an alkaline electrolyzer as well as a techno‐economic and enviro‐economic analysis are presented. The proposal of this innovative study is to generate hydrogen gas energy from an alkaline electrolyzer energy system. The prototype of this alkaline electrolyzer was developed by application of hydrogen production through alkaline electrolyzer optimization. This novel chemical mixture is made up from the combination of ammonia, ethyl alcohol, urea, and deionized or distilled water. The result proved to be a model study by emphasizing the annual profit of the alkaline electrolyzer of a simple payback period of the prototype system. A prototype of alkaline electrolyzer is designed and developed to produce oxyhydrogen gas through water electrolysis.
Mechanistic Investigation of Alkali‐Treated Photocatalytic CO2 Reduction: The Role of OH− and Metal Cations for Almost 100 % Selectivity of CO
Authors: Zhang Hao , Ji Jixiang , Guo Fa , Shen Zhurui
Published: September 2022

In this work, the modulation of activity and selectivity via photoreduction of carbon dioxide under simulated sunlight was achieved by treating P25 and P25/Pt NPs with KOH. It found that KOH treatment could significantly improve the overall conversion efficiency and switch the selectivity for CO. Photoelectric characterizations and CO2‐TPD demonstrated that the synergistic effect of K+ and OH‐ accelerated the separation and migration of photogenerated charges, and also improved CO2 adsorption level. Significantly, the K ions could act as active sites for CO2 adsorption and further activation. In situ FTIR measurements and DFT calculations confirmed that K+ enhanced the charge density of adjacent atoms and stabilize CO* groups, reducing the reaction energy barrier and inducing the switching of original CH4 to CO, which played a selective regulatory role. This study provides insights into the photocatalytic activity and selectivity of alkali‐treated photocatalysts and facilitates the design of efficient and product‐specific photocatalysis.
Wenn der Osterhase blaumacht
Authors: Emden Markus , Hild Pitt , Kallinna Kirsten , Lanka Judith , Murer Livia
Published: September 2022

Anliegen der in loser Folge erscheinenden Versuche ist es, Impulse für chemische Versuche zu geben, die gefahrlos zu Hause mit haushaltsüblichen Gegenständen durchgeführt werden können. Sie können damit als Quelle für das gemeinsame Ausprobieren mit Kindern dienen, z. B. in Kindergärten oder an Schulen sowie zur Verwendung bei Tagen der offenen Tür. Ein Stückweit sind sie zu verstehen als Antwort auf den oft gehörten Satz: „Ach, Du bist Chemiker/in? Dann mach doch mal eben ein Experiment.“
Treatment of Municipal Wastewater by Hollow Fiber Dynamic Membrane Bioreactors
Authors: Isik Onur , Orman Irem , Abdelrahman Amr Mustafa , Ersahin Mustafa Evren , Ozgun Hale , Demir Ibrahim , Koyuncu Ismail
Published: September 2022

In this study, an aerobic membrane bioreactor (MBR) with a polyester fabric hollow fiber filter is used for municipal wastewater treatment. This polyester fabric filter is used as support material for dynamic membrane formation in the MBR. High treatment performance is obtained in the permeate achieving over 93% of chemical oxygen demand removal efficiency and low particulate material concentration (<10 mg L−1). The system is operated for 58 d without any clogging. The average transmembrane value is found as around 598 mbar after the system reaches stable conditions. Morphological analyses including confocal laser scanning microscopy, environmental scanning electron microscopy, energy‐dispersive X‐ray, and Fourier transform infrared spectroscopy are performed to obtain a detailed understanding of the cake layer formation. The use of hollow fiber dynamic membranes can provide compact membrane volume with high surface area, thus, the volume of the reactor can be further decreased.
Curvature of NCNTs induced selectivity of CO2 electroreduction into CO
Authors: Lv Kuilin , Wan Detian , Pan Ruina , Suo Weiqun , Zhu Ying
Published: September 2022

Nitrogen‐doped carbon nanotubes (NCNTs) are usually selective and robust electrocatalysts for CO2 reduction to CO in aqueous media. However, the electronic property of NCNTs is strongly dependent on their curvature, the change of curvature has a great impact on the electrocatalytic performance. Therefore, it is highly desirable to clarify the curvature effect of NCNTs for CO2RR performance. Herein, we investigated the CO2RR performances of NCNTs with different curvatures, which were obtained by doping N into CNTs under high temperatures. And low curvature of
l‐NCNT‐1000 presented the highest CO FE (88.5%), which was much higher than that of the mid curvature of M‐NCNT‐1000 (71.1%) and the high curvature of S‐NCNT‐1000 (58%). According to density functional theory (DFT) calculations, the pyridine‐N site was considered a catalytic active site for CO2RR regardless of the low, mid or high curvature structure. Moreover, the low curvature surface of NCNTs had a relatively large binding energy with the HOCO* intermediate that is the principal intermediate for the CO2RR, thereby enhancing the catalytic activity of CO2 electroreduction to CO.
Introduction of the Functional Amino Group at the meso Position of Cy3 and Cy5 Dyes: Synthesis, Stability, Spectra and Photolysis of 4‐Amino‐1‐diazo‐2‐butanone Derivatives**
Authors: Savicheva Elizaveta A. , Bossi Mariano L. , Belov Vladimir N. , Hell Stefan W.
Published: September 2022

Searching for photoconvertible or photoactivatable dyes, we considered trimethine (Cy3) and pentamethine (Cy5) fluorophores with a 4‐amino‐1‐diazo‐2‐butanone fragment (H2N(CH2)2COCH=N2) attached to the meso (γ) position of the polymethine chain via the amino group. The Cy3 derivative was prepared. All Cy5 derivatives with the basic amino group at this position decomposed with breaking the polymethine chain. However, amino‐squaraine based Cy5 dyes were found to be stable and accessible. Photolysis of Cy3 and squaraine‐based Cy5 dyes with a 4‐amino‐1‐diazo‐2‐butanone fragment was accompanied with Wolff rearrangement and led to pyrrolidones (in methanol and aprotic solvents) formed via intramolecular cyclization of the intermediate ketenes. In aqueous acetonitrile, ketenes reacted with water and gave carboxylic acids. Both products were non‐fluorescent, though the model Cy5 dyes (without the squaraine fragment) with acylated amino and N‐methylamino groups were found to be fluorescent.
Titanium implant surface roughness after different implantoplasty protocols: A laboratory study
Authors: Yildiz Hulya , Bertl Kristina , Stavropoulos Andreas
Published: September 2022

Objective

To compare the surface roughness of sandblasted, large grit, acid‐etched (SLA) surfaced titanium discs, after implantoplasty (IP) with different combinations of rotating instruments without or with the subsequent use of a silicone polisher.

Methods

Titanium discs (n = 12 per group) with an SLA surface were treated with the following IP protocols: (1) Tungsten carbide bur sequence from company 1 (Komet Dental) without or with polishing (P) with a silicone polisher (Brownie®), (2) tungsten carbide bur sequence from company 2 (Hager & Meisinger GmbH) without or with P, and (3) diamond bur sequence (125, 40, 15‐μm grit) without or with P. Pristine turned (T) and SLA titanium discs were used as negative and positive controls, respectively. Surface roughness measurements were taken with a contact profilometer rendering Ra and Rz values.

Results

All IP protocols, even without P, resulted in significantly reduced surface roughness compared to the SLA group. The tungsten carbide bur protocols, even without P, resulted in a surface roughness similar to or significantly lower than that in the T group in terms of Ra and Rz, respectively. IP with the diamond bur sequence resulted in a significantly rougher surface compared to that achieved with the carbide burs. In all IP groups, P with a silicone polisher resulted in a significantly smoother surface.

Conclusions

IP with dedicated tungsten carbide burs without or with the subsequent use of a silicone polisher resulted in a surface roughness similar to or significantly lower than that of commercially available turned surfaces. IP with a diamond bur sequence required additional polishing to achieve a comparable surface roughness to that of commercially available turned surfaces.
Calycosin represses AIM2 inflammasome‐mediated inflammation and pyroptosis to attenuate monosodium urate‐induced gouty arthritis through NF‐κB and p62‐Keap1 pathways
Authors: Tian Jing , Zhou Dapeng , Xiang Liangbi , Xie Bing , Wang Baichuan , Li Yang , Liu Xinwei
Published: September 2022

Gouty arthritis is an inflammatory disease induced by monosodium urate (MSU), and is closely related to the activation of inflammasomes. Calycosin plays an anti‐inflammatory role in arthritis. This study explored the mechanism of Calycosin in MSU‐induced gouty arthritis. MSU‐induced gouty arthritis mouse models with or without treatment of Calycosin were established, and physiological and pathological indicators were determined. Similarly, peripheral blood mononuclear cells (PBMCs) and THP‐1 macrophages were used in vitro. Lactate dehydrogenase (LDH) was tested. The degree of centrifugal infiltration was detected by immunofluorescence. ELISA and quantitative reverse‐transcription polymerase chain reaction were conducted to determine the levels of inflammatory factors. Immunohistochemistry, immunofluorescence, and flow cytometry were utilized to detect the content of caspase‐1. Protein expressions of NF‐κB‐, p62‐Keap1 pathway‐, and pyroptosis‐related factors were examined by western blot. In MSU‐induced mouse models, calycosin increased mechanical hyperalgesia but decreased the swelling index of the mouse knee joint in a time‐dependent manner. MSU treatment increased inflammatory cells and LysM‐eGFP+ neutrophils recruitment in vivo, and promoted the LDH content in vitro, and meanwhile, calycosin reversed the aforementioned effects of MSU. In addition, calycosin repressed the release of inflammatory factors, promoted p62 level and diminished the levels of AIM2, caspase‐1, ASC, IL‐1β, Keap1, Cleaved GSDMD, and Cleaved caspase‐1 and phosphorylation of p65 and IκBα in MSU‐induced mouse or cell models. Furthermore, AIM2 silencing also inhibited MSU‐induced inflammation and pyroptosis. Collectively, calycosin may inhibit AIM2 inflammasomes‐mediated inflammation and pyroptosis through NF‐κB and p62‐Keap1 pathways, ultimately playing a protective role in gouty arthritis.
Estimation of breeding population size using DNA‐based pedigree reconstruction in brown bears
Authors: Shimozuru Michito , Jimbo Mina , Adachi Keisuke , Kawamura Kei , Shirane Yuri , Umemura Yoshihiro , Ishinazaka Tsuyoshi , Nakanishi Masanao , Kiyonari Mayu , Yamanaka Masami , Amagai Yukihiro , Ijuin Ayaho , Sakiyama Tomoki , Kasai Shinsuke , Nose Takane , Shirayanagi Masataka , Tsuruga Hifumi , Mano Tsutomu , Tsubota Toshio , Fukasawa Keita , Uno Hiroyuki
Published: September 2022

Robust estimates of demographic parameters are critical for effective wildlife conservation and management but are difficult to obtain for elusive species. We estimated the breeding and adult population sizes, as well as the minimum population size, in a high‐density brown bear population on the Shiretoko Peninsula, in Hokkaido, Japan, using DNA‐based pedigree reconstruction. A total of 1288 individuals, collected in and around the Shiretoko Peninsula between 1998 and 2020, were genotyped at 21 microsatellite loci. Among them, 499 individuals were identified by intensive genetic sampling conducted in two consecutive years (2019 and 2020) mainly by noninvasive methods (e.g., hair and fecal DNA). Among them, both parents were assigned for 330 bears, and either maternity or paternity was assigned to 47 and 76 individuals, respectively. The subsequent pedigree reconstruction indicated a range of breeding and adult (≥4 years old) population sizes: 128–173 for female breeders and 66–91 male breeders, and 155–200 for female adults and 84–109 male adults. The minimum population size was estimated to be 449 (252 females and 197 males) in 2019. Long‐term continuous genetic sampling prior to a short‐term intensive survey would enable parentage to be identified in a population with a high probability, thus enabling reliable estimates of breeding population size for elusive species.
Research progress on habitat connectivity in coastal waters: A review
Authors: Gao Shike , Yu Wenwen , Li Zhen , Zhang Shuo , Fu Kang , Wang Nuo , Gu Jun
Published: September 2022

Ecological connectivity, as a research method related to spatial ecology and conservation biology, has attracted increasing attention from researchers at home and abroad in recent years. Habitat connectivity, as a key link in ecological connectivity, is of great significance to promote coastal ecological restoration and protection. However, there has been less systematic research about habitat connectivity due to lack of corresponding theories and practices. Therefore, this paper discusses habitat connectivity from three aspects: (1) the concept of habitat connectivity is introduced and clarified; (2) the application of connectivity in artificial habitat and adjacent waters and its relationship with biodiversity conservation are reviewed and illustrated with examples; and (3) the future development trends of this research direction are summarized and prospected in order to provide a scientific basis and useful reference for the related work of coastal restoration projects in China. Generally, this paper argues that an increase in human behaviour irreversibly destroys the connectivity between marine habitats and threatens the spatial and temporal scales of biodiversity and ecosystem services. Therefore, the theoretical research results and practical experience of ecological connectivity should be fully applied to marine ecosystems, and the restoration of degraded ecosystems should be encouraged and supported in ways that promote natural recovery.
Habitat response of adult fish species under the influence of ecological flow and hydrodynamic regime in perennial river system
Authors: Baruah Anupal , Barman Diganta , B M Arjun , Chyne Bajitborlang L. , Kurbah Shanbor , Aggarwal Shiv P.
Published: September 2022

The escalating anthropogenic activities in recent decades are constantly affecting the aquatic ecology and posing a threat to freshwater species. In this study, a two‐dimensional ecohydraulic model and multiple criteria decision analysis (MCDA) coupled framework is employed in the Dikhow River, India, to investigate the favourable habitat condition for the nearly threatened Notopterus chitala fish locally known as Chital fish. The habitat residence suitability and habitat suitability indices are calculated at the observed and ecological flows. The ecological flow rates are computed from flow duration curve shifting and flow duration curve analysis methods. The hydrodynamic computations are carried out using a 1D‐2D coupled MIKE FLOOD model. The habitat assessment of the targeted species is carried out by constructing the suitability curves from the computed hydraulic parameters at different environmental management conditions. Results from the habitat assessment curves indicate that the maximum habitat suitability index is found for the targeted fish species at average annual flow. Based on the MCDA analysis, the outer banks of the meander zones are identified as not suitable residence regions for the target species. This study revealed that the coupled approach could be useful to regulate the stream restoration strategies and identify potential habitat preference locations in the domain.
Sex‐based differences in referral of heart failure patients to outpatient clinics: a scoping review
Authors: Chan Elizabeth , Rooprai Jasjit , Rodger Jillian , Visintini Sarah , Rodger Norvinda , Philip Shona , Mielniczuk Lisa , Sun Louise Y.
Published: September 2022

Background

Guidelines recommend that hospitalized patients newly diagnosed with HF be referred to an outpatient HF clinic (HFC) within 2 weeks of discharge. Our study aims were (i) to assess the current literary landscape on the impact of patient sex on HFC referral and outcomes and (ii) to provide a qualitative overview of possible considerations for the impact of sex on referral patterns and HF characteristics including aetiology, symptom severity, investigations undertaken and pharmacologic therapy.

Methods and results

We conducted a scoping review using the Arksey and O'Malley framework and searched Medline, EMBASE, PsychINFO, Cochrane Library, Ageline databases and grey literature. Eligible articles included index HF hospitalizations or presentations to the Emergency Department (ED), a description of the HFC referral of patients not previously followed by an HF specialist and sex‐specific analysis. Of the 11 372 potential studies, 8 met the inclusion criteria. These studies reported on a total of 11 484 participants, with sample sizes ranging between 168 and 3909 (25.6%–50.7% female). The included studies were divided into two groups: (i) those outlining the referral process to an HFC and (ii) studies which include patients newly enrolled in an HFC. Of the studies in Group 1, males (51%–82.4%) were more frequently referred to an HFC compared with females (29%–78.1%). Studies in Group 2 enrolled a higher proportion of males (62%–74% vs. 26%–38%). One study identified independent predictors of HFC referral which included male sex, younger age, and the presence of systolic dysfunction, the latter two more often found in males. Two studies, one from each group reported a higher mortality amongst males compared with females, whereas another study from Group 2 reported a higher hospitalization rate amongst females following HFC assessment.

Conclusions

Males were more likely than females to be referred to HFCs after hospitalization and visits to the Emergency Department, however heterogeneity across studies precluded a robust assessment of sex‐based differences in outcomes. This highlights the need for more comprehensive longitudinal data on HF patients discharged from the acute care setting to better understand the role of sex on patient outcomes.
Protection and Transformation of Natural Products within Aqueous Metal‐Organic Cages
Authors: Cruz‐Nava Sofía , de Jesús Valencia‐Loza Sergio , Percástegui Edmundo G.
Published: September 2022

Natural products are central to the organic synthesis field and attract immense interest due to their biological activity and wide industrial use. However, many suffer from poor aqueous solubility, instability under certain conditions, or bear complex composition, limiting their investigation and derivatization. Metal–organic cages (MOCs) are promising molecular receptors to solubilize in water, preserve, or transform natural products. This contribution features examples of MOCs that encapsulate naturally occurring compounds and synthetic congeners in aqueous media, protecting them from photodegradation or hydrolysis. We highlight cases of cages used as molecular vessels to promote chemical conversion and derivatization of natural substances. This review aims to provide an overview of the possibilities of using MOCs to bring about new properties and reactivity on natural products, offering methodological insights into cage operation for enhancing their activity and the engineering of further aqueous applications involving natural compounds, synthetic derivatives, and biomolecules.