bluuebunny/crossref_metadata_2025 huggingface dataset:
Usefulness of ventilatory inefficiency in predicting prognosis across the heart failure spectrum
Authors: Gong Jingyi , Castro Renata R.T. , Caron Jesse P. , Bay Camden P. , Hainer Jon , Opotowsky Alexander R. , Mehra Mandeep R. , Maron Bradley A. , Di Carli Marcelo F. , Groarke John D. , Nohria Anju
Published: December 2021

Aims

The minute ventilation–carbon dioxide production relationship (VE/VCO2 slope) is widely used for prognostication in heart failure (HF) with reduced left ventricular ejection fraction (LVEF). This study explored the prognostic value of VE/VCO2 slope across the spectrum of HF defined by ranges of LVEF.

Methods and results

In this single‐centre retrospective observational study of 1347 patients with HF referred for cardiopulmonary exercise testing, patients with HF were categorized into HF with reduced (HFrEF, LVEF < 40%, n = 598), mid‐range (HFmrEF, 40% ≤ LVEF < 50%, n = 164), and preserved (HFpEF, LVEF ≥ 50%, n = 585) LVEF. Four ventilatory efficiency categories (VC) were defined: VC‐I, VE/VCO2 slope ≤ 29; VC‐II, 29 < VE/VCO2 slope < 36; VC‐III, 36 ≤ VE/VCO2 slope < 45; and VC‐IV, VE/VCO2 slope ≥ 45. The associations of these VE/VCO2 slope categories with a composite outcome of all‐cause mortality or HF hospitalization were evaluated for each category of LVEF. Over a median follow‐up of 2.0 (interquartile range: 1.9, 2.0) years, 201 patients experienced the composite outcome. Compared with patients in VC‐I, those in VC‐II, III, and IV demonstrated three‐fold, five‐fold, and eight‐fold increased risk for the composite outcome. This incremental risk was observed across HFrEF, HFmrEF, and HFpEF cohorts.

Conclusions

Higher VE/VCO2 slope is associated with incremental risk of 2 year all‐cause mortality and HF hospitalization across the spectrum of HF defined by LVEF. A multilevel categorical approach to the interpretation of VE/VCO2 slope may offer more refined risk stratification than the current binary approach employed in clinical practice.
Models of cardiovascular surgery biobanking to facilitate translational research and precision medicine
Authors: Zhu YingYan , Jackson Dan , Hunter Benjamin , Beattie Lorna , Turner Lisa , Hambly Brett D. , Jeremy Richmond W. , Malecki Cassandra , Robertson Elizabeth N. , Li Amy , dos Remedios Cris , Richmond David , Semsarian Christopher , O'Sullivan John F. , Bannon Paul G. , Lal Sean
Published: December 2021

Biobanking in health care has evolved over the last few decades from simple biological sample repositories to complex and dynamic units with multi‐organizational infrastructure networks and has become an essential tool for modern medical research. Cardiovascular tissue biobanking provides a unique opportunity to utilize cardiac and vascular samples for translational research into heart failure and other related pathologies. Current techniques for diagnosis, classification, and treatment monitoring of cardiac disease relies primarily on interpretation of clinical signs, imaging, and blood biomarkers. Further research at the disease source (i.e. myocardium and blood vessels) has been limited by a relative lack of access to quality human cardiac tissue and the inherent shortcomings of most animal models of heart disease. In this review, we describe a model for cardiovascular tissue biobanking and databasing, and its potential to facilitate basic and translational research. We share techniques to procure endocardial samples from patients with hypertrophic cardiomyopathy, heart failure with reduced ejection fraction, and heart failure with preserved ejection fraction, in addition to aortic disease samples. We discuss some of the issues with respect to data collection, privacy, biobank consent, and the governance of tissue biobanking. The development of tissue biobanks as described here has significant scope to improve and facilitate translational research in multi‐omic fields such as genomics, transcriptomics, proteomics, and metabolomics. This research heralds an era of precision medicine, in which patients with cardiovascular pathology can be provided with optimized and personalized medical care for the treatment of their individual phenotype.
Revisiting the Structural Evolution of Hydrotalcite‐Derived Mixed Metal Oxides upon Alkali Metal Doping and Its Impact on Base Catalysis
Authors: Lv Yali , Yu Qing , Mou Xiaoling , Lin Ronghe , Ding Yunjie
Published: December 2021

The structural evolution of classic coprecipitation‐derived Mg−Al mixed oxide (MMO) upon doping of different alkali metals in a wide level (1–20 wt.%) was revisited. The pristine lateral MMO of aggregates into particulates, accompanied with the dramatic loss of the surface areas and the formation of aluminates. These phenomena become severer with the decrease of the atomic radius. The formation of NaAlO2 likely occurs via the gradual dealumination of the MMO, which is highly dependent on both the dopant content and the activation temperature. This leads to ultimately a new ensemble with MgO as the core decorated by NaAlO2 in the outer surfaces at high Na doping level and above 973 K. When evaluated in the base‐catalyzed transesterification and acylation model reactions, the Na‐doped MMO show enhanced performance and a plateau at increasing doping that might be explained by an interplay between the number and strength of strong basicity.
Enantioselective Povarov Reactions: An Update of a Powerful Catalytic Synthetic Methodology
Authors: Lemos Bárbara C. , Venturini Filho Eclair , Fiorot Rodolfo G. , Medici Fabrizio , Greco Sandro J. , Benaglia Maurizio
Published: December 2021

The enantioselective Povarov reaction is one of the most powerful synthetic strategy to synthesize chiral, highly functionalized 1,2,3,4‐tetrahydroquinolines. The present Minireview aims to collect the most significant successful examples of highly efficient enantioselective catalytic protocols for this reaction, since 2014. A comprehensive discussion of different catalytic strategies employed in recent years to realize the enantioselective Povarov reaction is provided; the use of chiral phosphoric acids, thio(urea) and proline derivatives, as well as transition metal complexes will be presented. Additionally, this Minireview critically discusses the intriguing and yet obscure mechanistic pathways of this well‐known reaction, the controversial dispute between a concerted or a polar two‐step process.
Electrochemical Immunosensor for Lactate Dehydrogenase Detection Through Analyte‐driven Catalytic Reaction on Multi‐walled Carbon Nanotubes and Gold Nanoparticle Modified Carbon Electrode
Authors: Yi Yuhan , Li Yi , Li Weizhong , Cheng Mingjie , Wu Meisheng , Miao Jinfeng , Kang Wei , Xu Yuanyuan
Published: December 2021

A novel electrochemical immunosensor for lactate dehydrogenase (LDH) detection was proposed based on analyte‐driven catalytic reaction by attaching LDH antibodies on multi‐walled carbon nanotubes (MWCNTs) and gold nanoparticles (AuNPs) modified glassy carbon electrodes (GCE). As LDH was captured by the antibodies on electrode surface, it catalyzed the formation of pyruvate and the reduced form of nicotinamide adenine dinucleotide (NADH), thus a sensitive electrochemical signal obtained from the above redox reaction was recorded by differential pulse voltammetry (DPV). Under optimum conditions, the developed immunosensor exhibits high sensitivity for LDH quantification ranging from 0.001 μg/mL to 0.5 μg/mL with a low detection limit at 0.39 ng/mL. This developed immunosensor reveals ideal accuracy and feasibility for LDH detection in Streptococcus uberis (S. uberis) induced bovine mammary epithelial cells (MECs) samples by comparison with conventional commercial kit, which shows remarkably application potential in diseases diagnosis.
Development of a complementary framework for implementing asset register solutions
Authors: English Lar , Yunusa‐Kaltungo Akilu , Kidd Moray , Labib Ashraf
Published: December 2021

A correctly compiled asset register within an asset information management system (AIMS) provides the foundation for a successful asset data solution. The lack of correctly structured asset registers within organizations is acknowledged among research and communities of practice. A case study identified anomalies that emerge when using established standards, after which a comprehensive solution for hierarchies, naming conventions and attributes was offered. While standards such as BS ISO 1007 and ISO 14224 provide overarching solution principles, such provisions are not all‐encompassing and exist across several sources, which makes the task of developing asset registers error‐prone and laborious. Challenges associated with software applications were highlighted through combining personal industrial experience as well as consultations with the existing body of knowledge. Recommendations that enable successful deployment of AIMS, with emphasis on its accommodation of a reliable asset register were then proffered. Scalability was addressed which enables an asset register to expand. This study describes a novel and simplified approach embodied within a single document. Combining the prescriptions of this article with existing literature will ease the delivery of an asset register.
Recent progress in cathode interlayer materials for non‐fullerene organic solar cells
Authors: Ahmad Nafees , Zhou Huiqiong , Fan Ping , Liang Guangxing
Published: December 2021

Non‐fullerene acceptors are currently a hot research area in the development of organic solar cells (OSCs). At present, the‐state‐of‐the‐art power conversion efficiency (PCE) of non‐fullerene organic solar cells (NF‐OSCs) with single and multiple‐junction has surpassed 18% and 19%, respectively. The cathode interlayer (CIL) plays a significant role in the improvement of PCE and the stability of OSCs. Recently, a large number of CIL materials have been employed in OSCs. This review summarizes the recent progress of CIL materials and systematically describes their impact on the device efficiency and stability in single‐junction NF‐OSCs. Firstly, the functions, key requirements, and distinctive features of CILs when used in NF‐OSCs are summarized. Afterward, some big families of materials including metal oxides, metal salts/complexes, small molecules, polymers, composites/hybrids are presented as CIL for NF‐OSCs. Finally, the scale‐up techniques, conclusion, and future challenges regarding CIL in NF‐OSCs are elucidated.

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Hierarchically porous membranes for lithium rechargeable batteries: Recent progress and opportunities
Authors: Li Xiangcun , Jiang Helong , Liu Yang , Guo Xuelin , He Gaohong , Chu Zhong , Yu Guihua
Published: December 2021

Hierarchically porous membranes offer an effective platform for facilitating mass transport and ion diffusion in energy storage systems and have the potential to achieve novel battery configurations. As the vital roles such as electrodes, interlayers, separators, and electrolytes in the battery systems, regulating the membrane porous structures and selecting appropriate membrane materials are significant for realizing high energy density, excellent rate capability, and long cycling stability of lithium rechargeable batteries (LRBs). In this review, we highlight recent progress on tunable synthesis of various porous membranes for LRB applications, and discuss how the membranes with hierarchically porous frameworks or ordered channels can be employed as electrodes/separators/interlayers for improved ion/electrolyte transport and charge transfer. We also present in‐depth discussion of the structure–property‐performance relationships of the membranes based on fundamental thermodynamic and kinetic aspects in membrane formation, transport mechanism, and cell configurations. Finally, the prospects of optimizing membrane development for advanced battery applications are discussed.

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Response of provenance transition of Middle Jurassic–Early Cretaceous sediments to tectonic domain transformation in the North Yellow Sea Basin, Eastern North China Craton
Authors: Yu Haitian , Xu Zhongjie , Cheng Rihui , Gao Dan , Zhang Zhen
Published: December 2021

In the Late Mesozoic, the Eastern North China Craton changed from being controlled by the Palaeo‐Asian tectonic domain to the marginal Pacific tectonic domain. The Eastern North China Craton transformed the E–W compression to NNE–SSW extensional tectonics under the influence of two tectonic domain transformations. However, the timing of the transformation of the tectonic domains remains controversial. The North Yellow Sea Basin is located in an important position in the Eastern North China Craton at the junction of the Pacific and Eurasian plates and is controlled by two tectonic domains. Therefore, the sediments in the basin are faithful records of the transformation of the two tectonic domains. Based on the latest and high‐precision detrital zircon U–Pb dating data, sandstone modal analysis, and elemental geochemical analysis in the North Yellow Sea Basin combined with regional tectonic, palaeontological, and palaeoclimatic evidence, this paper discusses the provenance from the Middle Jurassic to Early Cretaceous, which responds to the Late Mesozoic tectonic domain transformation in the Eastern North China Craton, and provides important evidence of provenance in the North Yellow Sea Basin to determine the time of tectonic domain transformation. These results suggest that the source rocks of sediments in the North Yellow Sea Basin have changed from ancient sediments (ancient craton/recycle orogenic belt) in the Middle Jurassic to Late Jurassic, to felsic igneous rocks in the Early Cretaceous. The peak of zircon U–Pb ages changed from 234, 1,842, and 2,429 Ma in the Late Jurassic to 217 and 1,871 Ma in the Early Cretaceous. The provenance changed from the Sulu Orogenic Belt and Precambrian basement of the Jiaodong Peninsula in the Late Jurassic, to the igneous rocks and Precambrian basement of the Liaodong Peninsula and Korean Peninsula in the Early Cretaceous. The provenance direction of the sediments changed from south‐west in the Late Jurassic to the north and south‐east in the Early Cretaceous. The tectonic setting of the basin changed from compression to extension. The changes in the peaks of zircon U–Pb age, characteristics of the source rocks, provenance direction, and basin tectonic setting in the Middle Jurassic to Early Cretaceous in the North Yellow Sea Basin are a response to the change from E–W compression to NNE–SSW extensional tectonics caused by the transformation of two tectonic domains. In the Early Cretaceous, the Eastern North China Craton completed the transformation of two tectonic domains that were influenced and controlled by the marginal Pacific tectonic domain.
Preclinical evidence for pioglitazone and bexarotene combination in oral cancer chemoprevention
Authors: Rosas Rolando R. , Nachbor Kristine M. , Handley Nathan , Mathison Grant , Wuertz Beverly R. , Ba'th Fadlullah , Ondrey Frank G.
Published: December 2021

Background

Head and neck squamous cell carcinoma (HNSCC) requires new treatments and targeted approaches to improve survival. The peroxisome proliferator‐activated receptor γ (PPARγ) and retinoic X receptor alpha (RXRα) nuclear receptor pathways may be targetable with repurposed Food and Drug Administration (FDA)‐approved agents for prevention and treatment.

Methods

Oral cancer and leukoplakia cell lines were treated with the PPARγ agonist (pioglitazone) and RXRα activator (bexarotene). PPARγ activation, cellular proliferation, apoptosis activity and phenotype, including the pharmacodynamic marker, involucrin (IVL), were subsequently analyzed using a reporter gene assay, genomic data, MTT assay and western blot.

Results

Microarray analysis of HNSCC tumor versus normal tissue shows IVL expression is significantly increased in normal tissue compared to HNSCC tumors (p < 0.0001). In MSK Leuk1 and CA 9‐22 cell lines, pioglitazone increases PPARγ DNA binding activity and IVL promoter activity in a dose dependent manner (p < 0.01 and p < 0.0001). Combination treatment with pioglitazone and bexarotene increases PPARγ DNA binding activity and IVL promoter activity (p < 0.01 and p < 0.0001). MTT analysis shows decreases in cell proliferation when cells are treated with pioglitazone and bexarotene. Decreases in cell proliferation are significant to at least p < 0.05 for all combination versus single agent treatments. Western blot on whole‐cell lysate from cells treated with pioglitazone and bexarotene alone or in combination for IVL showed increased protein levels with combination treatment.

Conclusions

Targeting the PPARγ/RXRα heterodimer with pioglitazone and bexarotene was effective in this preclinical project. This was functional in both preneoplastic and oral cancer cell lines. A better understanding of the molecular mechanism on downstream effects on cellular proliferation could potentially have implications clinically, both in oral preneoplasia and possibly head and neck cancer; however, more research needs to be done to explore the potential these medications have in chemoprevention.
Nanofluid influenced convective heat transfer and nanoparticles dispersion in porous media with a two‐phase lattice Boltzmann analysis
Authors: Aliu Oluwaseyi , Sakidin Hamzah , Foroozesh Jalal
Published: December 2021

In this study, a two‐phase lattice Boltzmann model (LBM) is developed and verified to study natural convective heat transfer in a porous medium that is fully saturated with Zn–H2O nanofluid (NF). Zinc, being an environmentally friendly material, is selected as the nanoparticle (NP) here. We aim to analyze NP heat enhancement augmentation and dispersion during NF transport at different Rayleigh number (Ra) values, various porosity (), and varying nanoparticle volume fraction (NVF). The equations of flow (velocity), temperature (energy), and NVF fields in porous media are solved numerically. Physical parameters of Rayleigh number, NVF, and Darcy number (Da) are varied to examine their effects on flow patterns (streamlines), temperature distribution (Isotherms), and NP spread (dispersion). Nusselt number is calculated to elucidate its relationship with Ra, Da, and NVF. Results show that Nusselt number increases upon Ra and Da numbers increment thereby accounting for convective heat transfer augmentation. However, it is noted that at Ra = 105; , the effects of varying NVF are almost the same, thereby suggesting an optimum for positive NP effect. An improved NP dispersion leading to good suspension stability for optimum Zn NP performance is observed with a higher temperature gradient at , compared to , where NP sedimentation is noticed. Likewise, an increase of NVF suggests an increase in Nusselt number until a certain optimum. This study provides deeper insight into NP dynamics and their heat transfer behavior in porous media using LBM.
Angiogenic efficacy of ASC spheroids filtrated on porous nanosheets for the treatment of a diabetic skin ulcer
Authors: Suematsu Yoshitaka , Nagano Hisato , Kiyosawa Tomoharu , Takeoka Shinji , Fujie Toshinori
Published: December 2021

Stem cell transplantation is expected to be an effective treatment for intractable skin ulcers by promoting angiogenesis; however, it is challenging to quickly realize a sufficient bloodstream for the ulcers. For this treatment, sheet‐like materials with monolayer cells such as cell sheets have been investigated. However, they have a limitation of cell number that can be transplanted at one time due to the two‐dimensional, monolayer cell structure, and sufficient secretion of growth factors cannot be expected. In this regard, cellular aggregates, such as spheroids, can reproduce three‐dimensional cell‐cell interactions that cause biological functions of living tissues more representative than monolayer cells, which is important to achieving efficient secretion of growth factors. In this study, we focused on free‐standing porous polymer ultrathin films (“porous nanosheets”) comprising poly(d,l‐lactic acid) (PDLLA) and succeeded in developing a spheroid‐covered nanosheet, on which more than 1000 spheroids from adipose‐tissue derived stem cells (ASCs) were loaded. The porous structure with an average pore diameter of 4 μm allowed for facile filtration and carrying spheroids on the nanosheet, as well as sufficient oxygen and nutrients inflow to the cells. The spheroid‐covered nanosheet achieved homogeneous transference of spheroids to a whole skin defect in diabetic model mice. Given the continuous release of vascular endothelial growth factor (VEGF) from the spheroids, the transplanted spheroids promoted healing with more accelerated angiogenesis than a nanosheet with a monolayer of cells. The spheroid‐covered nanosheet may be a new regenerative material for promoting intractable skin ulcer healing.
Protein acetylation effects on enzyme activity and metabolic pathway fluxes
Authors: Marín‐Hernández Álvaro , Rodríguez‐Zavala José S. , Jasso‐Chávez Ricardo , Saavedra Emma , Moreno‐Sánchez Rafael
Published: December 2021

Acetylation of proteins seems a widespread process found in the three domains of life. Several studies have shown that besides histones, acetylation of lysine residues also occurs in non‐nuclear proteins. Hence, it has been suggested that this covalent modification is a mechanism that might regulate diverse metabolic pathways by modulating enzyme activity, stability, and/or subcellular localization or interaction with other proteins. However, protein acetylation levels seem to have low correlation with modification of enzyme activity and pathway fluxes. In addition, the results obtained with mutant enzymes that presumably mimic acetylation have frequently been over‐interpreted. Moreover, there is a generalized lack of rigorous enzyme kinetic analysis in parallel to acetylation level determinations. The purpose of this review is to analyze the current findings on the impact of acetylation on metabolic enzymes and its repercussion on metabolic pathways function/regulation.
Conditional relative survival among patients with chronic lymphocytic leukaemia: A population‐based study in the Netherlands
Authors: van der Straten Lina , Levin Mark‐David , Visser Otto , Posthuma Eduardus F.M. , Doorduijn Jeanette K. , Kater Arnon P. , Dinmohamed Avinash G.
Published: December 2021

Studies on conditional relative survival (CRS) in chronic lymphocytic leukaemia (CLL) have hitherto been lacking in the literature. We predicted up‐to‐date estimates of 5‐year RS at diagnosis and for each additional year survived (i.e., CRS) up to 15 years post‐diagnosis among CLL patients diagnosed during 2007–2020. We showed that 5‐year CRS continues to decline gradually with each additional year survived in a contemporary era with access to novel‐based agents, irrespective of age. This finding indicates that CLL patients continue to experience substantial excess mortality compared to an age‐ and sex‐matched group from the general population.
Follow‐up CT of “reversed halo sign” in SARS‐CoV‐2 delta VOC pneumonia: A report of two cases
Authors: Wu Jing , Tang Jie , Zhang Tao , Chen Yu‐Chen , Du Chao
Published: December 2021

In December 2019, a new type of virus, coronavirus disease 2019 broke out globally and caused great harm. The virus mutates rapidly, and more research reports are urgently needed to increase our understanding of the disease. We found the reversed halo sign (RHS) occurred in the imaging manifestations of severe acute respiratory syndrome coronavirus 2 delta variant of concern pneumonia. In the absence of pathology, the mechanism is unknown. Therefore, we reported two cases of RHS and tried to speculate the pathological mechanism through multiple computed tomography follow‐up comparisons to judge the prognosis of the disease.
Interplay between microbial community composition and chemodiversity of dissolved organic matter throughout the Black Sea water column redox gradient
Authors: Suominen Saara , Gomez‐Saez Gonzalo V. , Dittmar Thorsten , Sinninghe Damsté Jaap S. , Villanueva Laura
Published: December 2021

Large quantities of carbon are stored in marine dissolved organic matter (DOM), and its recycling has a major effect on the carbon cycle. Microbes are responsible for turnover of DOM. Little is known about how the complex pool of DOM shapes microbial communities and vice versa, especially in anoxic systems. In this study, we characterized the DOM pool with high‐resolution Fourier transform ion cyclotron resonance mass spectrometry and analyzed the microbial community composition with 16S rRNA gene amplicon sequencing across a redox gradient in the Black Sea. The chemical stratification of the water column was clearly reflected in the microbial community, with different putative autotrophic taxa abundant across redox zones. The nitrate maximum was characterized by a high abundance of Thaumarchaeota, the suboxic zone by Gammaproteobacteria Chromatiales, while Epsilonbacteraeota Campylobacterales were abundant at the onset of the sulfidic zone. Compared to the variance in the microbial community, the molecular composition of DOM was relatively uniform across the sampled depths. However, underlying differences in the oxidation state of the DOM molecular formulas showed distinct changes that were linked to the redox zones, possibly connecting autotrophic metabolisms to changes in the DOM composition. In addition, known heterotrophs like Planctomycetes Phycisphaerae and Chloroflexi Anaerolineales were linked to more oxidized molecular forms of DOM, and not to the identified redox zones, suggesting that these fermentative organisms are reliant on newly formed carbon molecules. Our study suggests that the metabolism of autotrophic microbes influences the composition of DOM across the Black Sea water column.
Shape‐Memory Semicrystalline Polymeric Materials Based on Various Rubbers
Authors: Akca Ozge , Okay Oguz
Published: December 2021

A simple strategy is presented for the fabrication of shape‐memory materials containing commercial rubbers including natural rubber, cis‐polybutadiene, and styrene‐butadiene rubber. Dissolution of the rubbers in n‐octadecyl acrylate (C18A) monomer followed by UV polymerization at 30 °C leads to the formation of interconnected interpenetrating polymer networks (c‐IPNs) possessing crystalline domains. They exhibit melting (Tm) and crystallization temperatures (Tcry) between 45–50 and 35–40 °C, respectively, that can be tuned by the amount and the type of the rubbers. All c‐IPNs exhibit a significant temperature sensitivity in their viscoelastic and mechanical properties when the temperature is changed between below and above Tm and Tcry. The morphology of c‐IPNs consists of amorphous nanoparticles of around 64 nm diameter composed of interconnected noncrystalline poly(C18A) (PC18A) and rubber networks, surrounded by crystalline PC18A segments. c‐IPNs exhibit tunable mechanical properties, for example, their Young's modulus and toughness can be varied between 8.3–73 MPa, and 1.9–23 MJ·m−3, respectively, by changing the amount and type of the rubber. Because of the coexistence of chemical cross‐links and crystalline domains acting as the netpoints and switching segments, respectively, c‐IPNs exhibit an efficient shape‐memory function as demonstrated by their potential application as a robotic gripper.
Semi‐Crystalline Polyetherimide Microparticles via Liquid‐Liquid Phase Separation and Precipitation
Authors: Unger Laura , Dechet Maximilian A. , Fischer Sybille , Schmidt Jochen , Bück Andreas
Published: December 2021

A novel approach for production of polyetherimide (PEI) microparticles by liquid–liquid phase separation (LLPS) and precipitation is demonstrated and the effect of the used solvents acetophenone and dimethyl phthalate on the obtained powders is outlined. Interestingly, the method allows one to produce semi‐crystalline particles, while PEI is known to be hard to crystallize and typically obtained in amorphous form. To get a deeper understanding of the phase behavior of the polymer‐solvent systems, cloud point curves in dependence on system composition are determined. The obtained particles are thoroughly characterized. They are highly semi‐crystalline, as proven by DSC and X‐ray diffraction and are an ideal novel feedstock for powder bed fusion of polymers with laser beam (PBF‐LB/P). Polymorphism and, thus, thermal characteristics like the melting point, can be tuned by the used solvent. After heating the precipitated powder samples above their melting temperature and subsequent cooling fully amorphous polymer is obtained, which is assessed to be advantageous with respect to mechanical properties (toughness) of the PBF‐LB/P‐produced component from this novel feedstock.
Evaluation of MR‐neurography in diagnosis and treatment in peripheral nerve surgery of the upper extremity: A matched cohort study
Authors: Boecker Arne Hendrik , Lukhaup Lara , Aman Martin , Bergmeister Konstantin , Schwarz Daniel , Bendszus Martin , Kneser Ulrich , Harhaus Leila
Published: December 2021

Introduction

“Watch and wait”‐strategies from 3 to 6 months for peripheral nerve injuries are standard of care in specialized centers. However, this contradiction between delayed decision‐making and the demand for fast reinnervation, especially of the motoric endplate, has not yet been overcome. Therefore, this study aimed to investigate the time‐sparing effects by accelerated decision‐making due to the complementary MR‐neurography application combined with established diagnostics like electroneurography and neurosonography from the first admission to the determination of the treatment plan.

Patients and Methods

A retrospective matched‐pair chart review analysis with Supplementary MR‐neurography in the period between 2014 and 2017 was designed. Matching was performed by the parameters of nerve type, localization of the nerve injury, patient age, and treatment of the injury. Twenty‐nine patients were included and matched in the study. MR‐neurography imaging was performed by a 3T magnetic resonance imaging with a sampling perfection with application optimized contrasts using different flip angle evolution short tau inversion recovery sequence for the brachial plexus and gradient echo accurate fast imaging with steady‐state free precession sequence for the upper extremity. Time to decision‐making was investigated for or against a surgical intervention for patients with or without a Supplementary MR‐neurography.

Results

In general, MR‐neurography accelerated decision‐making for 28 days, with results of 37.5 + 5.4 days with Supplementary MR‐neurography and 65.3 + 9.7 days without Supplementary MR‐neurography (p = .05). Within the first 90 days following trauma, patients with MR‐neurography (38.2 ± 7.7 days) benefit under a significant faster decision‐making (p = .05) than patients without MR‐neurography (79.0 + 14.2 days). After 90 days, no evidence of accelerated decision‐making was found with the addition of MR‐neurography (p = .6). In 10 of the 29 patients, despite additional electroneurography and neurosonography, no decision could be made and the MR‐neurography has been used primarily as a diagnostic tool.

Conclusion

MR‐neurography has significant time‐sparing effects on the decision‐making for approximately 4 weeks within the first 90 days after the trauma. This may help overcome the paradigm of “watch and wait”‐strategies during the first 3–6 months after the peripheral nerve injury.
Dose kernel decomposition for spot‐based radiotherapy treatment planning
Authors: Chen Mingli , Yang Zi , Wardak Zabi , Stojadinovic Strahinja , Gu Xuejun , Lu Weiguo
Published: December 2021

Purpose

Pre‐calculation of accurate dose deposition kernels for treatment planning of spot‐based radiotherapies, such as Gamma Knife (GK) and Gamma Pod (GP), can be very time‐consuming and may require large data storage with an enormous number of possible spots. We proposed a novel kernel decomposition (KD) model to address accurate and fast (real‐time) dose calculation with reduced data storage requirements for spot‐based treatment planning. The application of the KD model was demonstrated for clinical GK and GP radiotherapy platforms.

Methods

The dose deposition kernel at each spot (shot position) is modeled as the product of a shift‐invariant kernel based on a reference kernel and spatially variant scale factor. The reference kernel, one for each collimator, is defined at the center of the commissioning phantom for GK and at the center of the treatment target for GP and calculated using the Monte Carlo (MC) method. The spatially variant scale factor is defined as the ratio of the mean tissue maximum ratio (TMR) at the candidate shot position to that at the reference kernel position, and the mean TMR map is calculated within the entire volume through parallel beam ray tracing on the density image followed by averaging over all source directions. The proposed KD dose calculations were compared with the MC method and with the GK and GP treatment planning system (TPS) computations for various shot positions and collimator sizes utilizing a phantom and 14 and 12 clinical plans for GK and GP, respectively.

Results

For the phantom study, the KD Gamma index (3%/1 mm) passing rates were greater than 99% (median 100%) relative to the MC doses, except for the shots close to the boundary. The passing rates dropped below 90% for 8 mm (16 mm) shots positioned within ∼1 cm (∼2 cm) of the boundary. For the clinical GK plans, the KD Gamma passing rates were greater than 99% (median 100%) compared to the MC and greater than 92% (median 99%) compared to the TPS. For the clinical GP plans, the KD Gamma passing rates were greater than 95% (median 98%) compared to the MC and greater than 91% (median 97%) compared to the TPS. The scale factors were calculated in sub‐seconds with GPU implementation and only need to be calculated once before treatment plan optimization. The calculation of the dose kernel was also within sub‐seconds without requiring beam‐by‐beam calculation commonly done in the TPS.

Conclusion

The proposed model can provide an accurate dose and enables real‐time dose and derivative calculations by kernel shifting and scaling without pre‐calculating or requiring large data storage for GK and GP dose deposition kernels during treatment planning. This model could be useful for spot‐based radiotherapy treatment planning by allowing an efficient global fine search for optimal spots.
Body composition and cardiometabolic health across the menopause transition
Authors: Marlatt Kara L. , Pitynski‐Miller Dori R. , Gavin Kathleen M. , Moreau Kerrie L. , Melanson Edward L. , Santoro Nanette , Kohrt Wendy M.
Published: December 2021

Every year, 2 million women reach menopause in the United States, and they may spend 40% or more of their life in a postmenopausal state. In the years immediately preceding menopause—known as the menopause transition (or perimenopause)—changes in hormones and body composition increase a woman’s overall cardiometabolic risk. In this narrative review, we summarize the changes in weight, body composition, and body fat distribution, as well as the changes in energy intake, energy expenditure, and other cardiometabolic risk factors (lipid profile, glucose metabolism, sleep health, and vascular function), that occur during the menopause transition. We also discuss the benefits of lifestyle interventions in women in the earlier stages of menopause before these detrimental changes occur. Finally, we discuss how to include perimenopausal women in research studies so that women across the life‐span are adequately represented.

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Randomized controlled trial of financial incentives during weight‐loss induction and maintenance in online group weight control
Authors: West Delia S. , Krukowski Rebecca A. , Monroe Courtney M. , Stansbury Melissa L. , Carpenter Chelsea A. , Finkelstein Eric A. , Naud Shelly , Ogden Doris , Harvey Jean R.
Published: December 2021

Objective

This study examined the impact of a financial incentive scheme integrating process and outcome incentives across weight‐loss induction and weight maintenance on 18‐month weight outcomes.

Methods

This was a randomized controlled trial. Participants with overweight or obesity (n = 418; 91% female; 28% racial/ethnic minority) were randomized to an 18‐month, online, group‐based behavioral weight‐control program (Internet‐Only) or the same program with financial incentives provided for 12 months, contingent on self‐regulatory weight‐control behaviors (self‐weighing, dietary self‐monitoring, and physical activity) and weight‐outcome benchmarks (Internet+Incentives). No financial incentives were provided from Months 13 to 18 to examine the durability of weight‐control behaviors and outcomes without incentives.

Results

Weight‐loss induction at Month 6 was significantly greater for Internet+Incentives than Internet‐Only (6.8% vs. 4.9%, respectively, p = 0.01). Individuals receiving incentives were significantly more likely to maintain weight loss ≥ 5% at Month 12 (45% in Internet+Incentives vs. 32% in Internet‐Only, p < 0.02) and remain weight stable (39% vs. 27%, respectively, p < 0.01). Internet+Incentives participants also reported significantly greater behavioral engagement through Month 12. However, once incentives ceased, there were no differences in sustained weight outcomes (Month 18), and engagement declined dramatically.

Conclusions

Despite promoting greater treatment engagement and initial weight loss, financial incentives as offered in this study did not promote better extended weight control.
Experimental and Theoretical Study of the Ultrafast Dynamics of a Ni2Dy2‐Compound in DMF After UV/Vis Photoexcitation
Authors: Sold S. , Mummaneni B. C. , Michenfelder N. C. , Peng Y. , Powell A. K. , Unterreiner A.‐N. , Lefkidis G. , Hübner W.
Published: December 2021

We present a combined experimental and theoretical study of the ultrafast transient absorption spectroscopy results of a {Ni2Dy2}‐compound in DMF, which can be considered as a prototypic molecule for single molecule magnets. We apply state‐of‐the‐art ab initio quantum chemistry to quantitatively describe the optical properties of an inorganic complex system comprising ten atoms to form the chromophoric unit, which is further stabilized by surrounding ligands. Two different basis sets are used for the calculations to specifically identify two dominant peaks in the ground state. Furthermore, we theoretically propagate the compound's correlated many‐body wavefunction under the influence of a laser pulse as well as relaxation processes and compare against the time‐resolved absorption spectra. The experimental data can be described with a time constant of several hundreds of femtoseconds attributed to vibrational relaxation and trapping into states localized within the band gap. A second time constant is ascribed to the excited state while trap states show lifetimes on a longer timescale. The theoretical propagation is performed with the density‐matrix formalism and the Lindblad superoperator, which couples the system to a thermal bath, allowing us to extract relaxation times from first principles.
Assessing human well‐being constructs with environmental and equity aspects: A review of the landscape
Authors: Betley Erin C. , Sigouin Amanda , Pascua Pua’ala , Cheng Samantha H. , MacDonald Kenneth Iain , Arengo Felicity , Aumeeruddy‐Thomas Yildiz , Caillon Sophie , Isaac Marney E. , Jupiter Stacy D. , Mawyer Alexander , Mejia Manuel , Moore Alexandria C. , Renard Delphine , Sébastien Lea , Gazit Nadav , Sterling Eleanor J.
Published: December 2021

Decades of theory and scholarship on the concept of human well‐being have informed a proliferation of approaches to assess well‐being and support public policy aimed at sustainability and improving quality of life.

Human well‐being is multidimensional, and well‐being emerges when the dimensions and interrelationships interact as a system. In this paper, we illuminate two crucial components of well‐being that are often excluded from policy because of their relative difficulty to measure and manage: equity and interrelationships between humans and the environment.

We use a mixed‐methods approach to review and summarize progress to date in developing well‐being constructs (including frameworks and methods) that address these two components.

Well‐being frameworks that do not consider the environment, or interrelationships between people and their environment, are not truly measuring well‐being in all its dimensions.

Use of equity lenses to assess well‐being frameworks aligns with increasing efforts to more holistically characterize well‐being and to guide sustainability management in ethical and equitable ways.

Based on the findings of our review, we identify several pathways forward for the development and implementation of well‐being frameworks that can inform efforts to leverage well‐being for public policy.
Silicon‐based passivating contacts: The TOPCon route
Authors: Glunz Stefan W. , Steinhauser Bernd , Polzin Jana‐Isabelle , Luderer Christoph , Grübel Benjamin , Niewelt Tim , Okasha Asmaa M. O. M. , Bories Mathias , Nagel Henning , Krieg Katrin , Feldmann Frank , Richter Armin , Bivour Martin , Hermle Martin
Published: December 2021

Passivating contacts based on poly‐Si/SiOx structures also known as TOPCon (tunnel oxide passivated contacts) have a great potential to improve the efficiency of crystalline silicon solar cells, resulting in more than 26% and 24% for laboratory and industrial cells, respectively. This publication gives an overview of the historical development of such contact structures which have started already in the 1980s and describes the current state‐of‐the‐art in laboratory and industry. In order to demonstrate the great variety of scientific and technological research, four different research topics are addressed in more detail: (i) the superior passivation quality of TOPCon structures made it necessary to re‐parametrize intrinsic recombination in silicon, (ii) the control of diffusion of dopants through the intermediate SiOx layer is essential to optimize passivation and transport properties, (iii) single‐sided deposition of the poly‐Si layer would reduce process complexity for industrial TOPCon cells, and (iv) silicon‐based tunnel junctions for perovskite–silicon tandem cells can be fabricated using the TOPCon technology.
Progress of plated metallization for industrial bifacial TOPCon silicon solar cells
Authors: Grübel Benjamin , Cimiotti Gisela , Schmiga Christian , Schellinger Stefan , Steinhauser Bernd , Brand Andreas A. , Kamp Mathias , Sieber Markus , Brunner Damian , Fox Stephen , Kluska Sven
Published: December 2021

Industrial tunnel oxide and passivated contact (i‐TOPCon) solar cells were metallized at Fraunhofer ISE using ultrashort pulse laser ablation of the passivation layers for the subsequent Ni/Cu/Ag plating process. The solar cells feature a tunnel SiOxand n‐type doped polysilicon layer covered by a SiNxat the rear side, whereas the front side is made of a boron emitter passivated with a AlOx/SiNxstack. The reference i‐TOPCon solar cells screen‐printed at the supplier reach an efficiency of 23.46% measured by Fraunhofer ISE CalLab. The impact of the laser process on the implied open circuit voltage (iVoc) is characterized showing minor impact on the TOPCon side, while the emitter side reveals an increasediVocloss due to laser damage. Loss analysis by simulating the plated solar cells points out the benefit of reducing the laser contact opening (LCO) area in terms of shading and contact recombination. Optimization of laser ablation and hydrofluoric acid (HF) pretreatment process result inVoc > 700 mV andFF> 82% leading to a mean efficiency 23.6% measured in‐house and a champion efficiency of 23.84% measured at Fraunhofer ISE CalLab thus outperforming the references by 0.4%abs.
Catalase protects against nonenzymatic decarboxylations during photorespiration in Arabidopsis thaliana
Authors: Bao Han , Morency Matt , Rianti Winda , Saeheng Sompop , Roje Sanja , Weber Andreas P. M. , Walker Berkley James
Published: December 2021

Photorespiration recovers carbon that would be otherwise lost following the oxygenation reaction of rubisco and production of glycolate. Photorespiration is essential in plants and recycles glycolate into usable metabolic products through reactions spanning the chloroplast, mitochondrion, and peroxisome. Catalase in peroxisomes plays an important role in this process by disproportionating H2O2 resulting from glycolate oxidation into O2 and water. We hypothesize that catalase in the peroxisome also protects against nonenzymatic decarboxylations between hydrogen peroxide and photorespiratory intermediates (glyoxylate and/or hydroxypyruvate). We test this hypothesis by detailed gas exchange and biochemical analysis of Arabidopsis thaliana mutants lacking peroxisomal catalase. Our results strongly support this hypothesis, with catalase mutants showing gas exchange evidence for an increased stoichiometry of CO2 release from photorespiration, specifically an increase in the CO2 compensation point, a photorespiratory‐dependent decrease in the quantum efficiency of CO2 assimilation, increase in the 12CO2 released in a 13CO2 background, and an increase in the postillumination CO2 burst. Further metabolic evidence suggests this excess CO2 release occurred via the nonenzymatic decarboxylation of hydroxypyruvate. Specifically, the catalase mutant showed an accumulation of photorespiratory intermediates during a transient increase in rubisco oxygenation consistent with this hypothesis. Additionally, end products of alternative hypotheses explaining this excess release were similar between wild type and catalase mutants. Furthermore, the calculated rate of hydroxypyruvate decarboxylation in catalase mutant is much higher than that of glyoxylate decarboxylation. This work provides evidence that these nonenzymatic decarboxylation reactions, predominately hydroxypyruvate decarboxylation, can occur in vivo when photorespiratory metabolism is genetically disrupted.
Comprehensive kinomic study via a chemical proteomic approach reveals kinome reprogramming in hepatocellular carcinoma tissues
Authors: Wang Shufeng , Wang Xinzheng , Yang Xin , Liu Feng , Li Jin , Li Weihua , Bai Zhaofang , Wang Hongbo , Mao Jie , Li Tingting , He Kun , Wang Hongxia
Published: December 2021

Hepatocellular carcinoma (HCC) is one of the most common cancers worldwide. Kinases are attractive therapeutic targets since they are commonly altered in cancers. Here, to identify kinases of potential therapeutic interest in HCC, a quantitative kinomic study of tumour and adjacent non‐tumour liver tissues was performed using a chemical proteomics approach. In total, 124 kinases were found differentially expressed and they were distributed over all nine kinase groups. Exploration of The Cancer Genome Atlas (TCGA) data showed that the dysregulation of 45 kinases was correlated with poor prognosis in HCC patients. We then tested 11 inhibitors targeting 12 crucial protein kinases alone or in combination for their ability to inhibit cell growth in Hep3B and PLC/PRF/5 cell lines. Six inhibitors significantly reduced viability in both cell lines. Combination inhibition of polo‐like kinase 1 (PLK1) and casein kinase 1 epsilon (CSNK1E) significantly induced growth arrest in both cell lines synergistically. In summary, our analysis presents the most complete view of kinome reprogramming in HCC and provides novel insight into crucial kinases in HCC and potential therapeutic targets for HCC treatment. Moreover, the identification of hundreds of differentially expressed kinases forms a rich resource for novel drug targets or diagnostic biomarker discovery. Data are available via ProteomeXchange (identifier PXD023806).