bluuebunny/crossref_metadata_2025 huggingface dataset:
Pattern and implications of neurological examination findings in autosomal dominant Alzheimer disease
Authors: Vöglein Jonathan , Franzmeier Nicolai , Morris John C. , Dieterich Marianne , McDade Eric , Simons Mikael , Preische Oliver , Hofmann Anna , Hassenstab Jason , Benzinger Tammie L. , Fagan Anne , Noble James M. , Berman Sarah B. , Graff‐Radford Neill R. , Ghetti Bernardino , Farlow Martin R. , Chhatwal Jasmeer P. , Salloway Stephen , Xiong Chengjie , Karch Celeste M , Cairns Nigel , Perrin Richard J. , Day Gregory , Martins Ralph , Sanchez‐Valle Raquel , Mori Hiroshi , Shimada Hiroyuki , Ikeuchi Takeshi , Suzuki Kazushi , Schofield Peter R. , Masters Colin L , Goate Alison , Buckles Virginia , Fox Nick C. , Chrem Patricio , Allegri Ricardo , Ringman John M. , Yakushev Igor , Laske Christoph , Jucker Mathias , Höglinger Günter , Bateman Randall J. , Danek Adrian , Levin Johannes ,   for the Dominantly Inherited Alzheimer Network
Published: May 2022

Introduction

As knowledge about neurological examination findings in autosomal dominant Alzheimer disease (ADAD) is incomplete, we aimed to determine the frequency and significance of neurological examination findings in ADAD.

Methods

Frequencies of neurological examination findings were compared between symptomatic mutation carriers and non mutation carriers from the Dominantly Inherited Alzheimer Network (DIAN) to define AD neurological examination findings. AD neurological examination findings were analyzed regarding frequency, association with and predictive value regarding cognitive decline, and association with brain atrophy in symptomatic mutation carriers.

Results

AD neurological examination findings included abnormal deep tendon reflexes, gait disturbance, pathological cranial nerve examination findings, tremor, abnormal finger to nose and heel to shin testing, and compromised motor strength. The frequency of AD neurological examination findings was 65.1%. Cross‐sectionally, mutation carriers with AD neurological examination findings showed a more than two‐fold faster cognitive decline and had greater parieto‐temporal atrophy, including hippocampal atrophy. Longitudinally, AD neurological examination findings predicted a significantly greater decline over time.

Discussion

ADAD features a distinct pattern of neurological examination findings that is useful to estimate prognosis and may inform clinical care and therapeutic trial designs.
Macroscopic Mechanical Entanglement Stability in Two Distant Dissipative Optomechanical Systems
Authors: Rafeie M. , Tavassoly M. K. , Setodeh Kheirabady M.
Published: May 2022

A theoretical scheme for the stable entanglement generation of two remote mechanical modes is introduced. Two identical optomechanical systems, each constituting a single‐mode optical field as well as a qubit and a moveable mirror driven by an external pump field, are considered. To make the model more realistic, atomic, photonic, and phononic dissipations are considered. The time‐dependent state of each subsystem is obtained, analytically. Then, by an appropriate Bell‐state measurement (BSM) on the state of the whole system (first approach), the entanglement of two mechanical modes is created. As a second parallel approach, appropriate atomic measurement is applied after the BSM. According to these numerical simulations via concurrence, the noteworthy features are as follows. There exists optimum value of photon–phonon coupling strength for obtaining the steady‐state entanglement; by choosing appropriate values of dissipation, photon–phonon coupling, and pump amplitude, a significant degree and stable entanglement between the two mechanical modes are accessible. The present scheme opens new practical perspectives in constructing stable entanglement between two remote mechanical modes and can be helpful to realize quantum memories for quantum information processing and establishing long‐distance quantum communication networks.
Total Synthesis of (−)‐Bastimolide A: A Showcase for Type I Anion Relay Chemistry
Authors: Cox Joshua B. , Kellum Alex A. , Zhang Yiwen , Li Bo , Smith Amos B.
Published: May 2022

A highly convergent total synthesis of (−)‐bastimolide A (1), a polyhydroxy antimalarial macrolide, has been achieved via a longest linear sequence of twenty steps from commercially available glycidyl ethers. Type I Anion Relay Chemistry (ARC) coupling tactics enable rapid construction of the molecule's 1,5‐polylol backbone. A late‐stage B‐alkyl Suzuki–Miyaura union and an Evans‐modified Mukaiyama macrolactonization generate the forty‐membered Z‐α,β‐unsaturated macrocyclic lactone.
PIII‐Directed Late‐Stage Ligation and Macrocyclization of Peptides with Olefins by Rhodium Catalysis
Authors: Liu Lei , Fan Xinlong , Wang Boning , Deng Hong , Wang Tianhang , Zheng Jie , Chen Jun , Shi Zhuangzhi , Wang Huan
Published: May 2022

Transition metal‐catalyzed C−H activation is a step‐economical strategy for peptide functionalization. Herein, we report the method of late‐stage peptide ligation and macrocyclization through rhodium‐catalyzed alkylation of tryptophan residues at the C7 position. This method utilizes a N‐PtBu2 directing group and tolerates various peptide and alkene substrates. Utilizing internal olefins, this study represents the first example of site‐selective peptide C−H alkylation through deconjugative isomerization. Furthermore, our method provides access to peptide macrocycles with unique Trp(C7)‐alkyl crosslinks and potent cytotoxicity towards cancer cells.
Spatiotemporal Release of Reactive Oxygen Species and NO for Overcoming Biofilm Heterogeneity
Authors: Han Xue , Lou Qi , Feng Feng , Xu Guanhua , Hong Song , Yao Li , Qin Shijie , Wu Dazhuan , Ouyang Xiaoping , Zhang Zhiguo , Wang Xiuyu
Published: May 2022

The heterogeneity in biofilms is a major challenge in biofilm therapies due to different susceptibility of bacteria and extracellular polymeric substances (EPS) to antibacterial agents. Here, we describe a therapeutic strategy that overcame biofilm heterogeneity, where antibacterial agent (NO) and EPS dispersant (reactive oxygen species (ROS)‐inducing Fe3+) were separately loaded in the yolk and shell compartment of a yolk–shell nanoplatform. Compared with traditional combinational chemotherapies which suffer from inconsistent pharmacokinetics profiles, this strategy drew on the pharmacokinetic complementarity of ROS and NO, where ROS with a short diffusion distance and a high redox potential corrupted the EPS, facilitating NO, which has a long diffusion distance and a broad antimicrobial spectrum, to penetrate the biofilm and eliminate the resident bacteria. Additionally, the construction of a three‐dimensional spherical biofilm model is novel and clinically relevant.
Electrolyte Sieving Chemistry in Suppressing Gas Evolution of Sodium‐Metal Batteries
Authors: Lu Ziyang , Yang Huijun , Guo Yong , He Ping , Wu Shichao , Yang Quan‐Hong , Zhou Haoshen
Published: May 2022

The sodium (Na)‐metal batteries hold great promise as a sustainable technology owing to the high element abundance and low cost. However, the generally used carbonate electrolytes remain highly reactive towards Na metal, leading to flammable gas evolution. Here, we propose an electrolyte sieving strategy to separate anion‐mediated ion‐pairs from dilute electrolytes by introducing a 3A zeolite molecular sieve film. The anion‐mediated ion‐pair firstly weakens the electron‐withdrawing property of the cation, which effectively suppresses the gassing. In addition, the sieved electrolyte promotes the formation of robust inorganic‐dominated solid electrolyte interphases. Therefore, it contributes to stable Na plating/stripping in Na|Al half cells with Coulombic efficiency maintaining at 98.5 % and a long service life of 800 cycles in full cells. Moreover, the electrode stability is well preserved even under harsh conditions of high temperature and ester‐based electrolytes with higher reactivity.
Doping‐Mediated Energy‐Level Engineering of M@Au12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis
Authors: Hirai Haru , Takano Shinjiro , Nakashima Takuya , Iwasa Takeshi , Taketsugu Tetsuya , Tsukuda Tatsuya
Published: May 2022

We synthesized a series of MAu12(dppe)5Cl2 (MAu12; M=Au, Pd, Pt, Rh, or Ir; dppe=1,2‐bis(diphenylphosphino)ethane), which have icosahedral M@Au12 superatomic cores, and systematically investigated their electronic structures, photoluminescence (PL) and photocatalytic properties. The energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) was expanded when doping an M element positioned at the lower left of the periodic table. The PL quantum yield was enhanced with an increase in the HOMO–LUMO gap and reached 0.46–0.67 for MAu12 (M=Pt, Rh, or Ir) under deaerated conditions. The bright PLs from MAu12 (M=Pt, Rh, or Ir) were assigned to phosphorescence based on quenching by O2. MAu12 (M=Pt, Rh, or Ir) acted as a more efficient and stable photocatalyst than Au13 for intramolecular [2+2] cycloaddition of bisenone via the oxidative quenching cycle. This study provides rational guides for designing photoluminescent and photocatalytic gold superatoms by the doping of heterometal elements.
Thermal degradation kinetics of industrial batch crosslinked polyethylene
Authors: de Sousa Barros Ana Beatriz , Barros Janetty Jany Pereira , Coutinho Suellen Veloso Côrte Real , Albuquerque Ananda Karoline Calvacanti , Siqueira Danilo Diniz , Ries Andreas , Wellen Renate Maria Ramos
Published: May 2022

Polyethylene (PE) is one of the most used polymers which can be applied since to flexible packaging to general goods industries, representing 32% of the total market share. Crosslinking PE (XPE) is of considerable practical importance since it increases the upper application temperature limit and improves mechanical performance. The objective of this work was to investigate the thermal degradation kinetics in inert (nitrogen) and oxidative (oxygen) environments of XPEs industrial formulations, with the crosslinking agent content between 0% and 1.5%. PE and XPE specimens were characterized by thermogravimetry (TG) and the computed data modeled using ASTM E698. Increasing the heating rates shifted the degradation rate (dα/dt) and weight loss to higher temperatures, whereas XPEs showed greater thermal stability related to PE. Deconvolution of derivative thermogravimetry (DTG) peaks displayed to be an important tool during kinetics analysis providing understanding and reliable data which affords excellent fits between theoretical and experimental data. In plots acquired using ASTM E698 the degradation activation energy (Ea) increased along with the degradation; morphological and structural changes are suggested in the higher Ea range. Among investigated compounds, 0.5XPE presented the best performance, that is, the greatest thermal stability in both atmospheres.
Thiazole‐based SARS‐CoV‐2 protease (COV Mpro) inhibitors: Design, synthesis, enzyme inhibition, and molecular modeling simulations
Authors: Elsayed Reham W. , Sabry Mohamed A. , El‐Subbagh Hussein I. , Bayoumi Said M. , El‐Sayed Selwan M.
Published: May 2022

As an attempt to contribute to the efforts of combating the pandemic virus severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) responsible for COVID‐19, new analogs of the repurposed drug nitazoxanide which showed promising inhibitory efficacy on a viral protease enzyme were designed, synthesized and evaluated for their inhibitory activity on the main protease of the SARS‐CoV‐2 virus, using the COV2‐3CL protease inhibition assay. The obtained results showed that the N‐(substituted‐thiazol‐2‐yl)cinnamamide analogs 19, 20, and 21 were the most active compounds with IC50 values of 22.61, 14.7, 21.99 µM, respectively, against the viral protease compared to the reference drugs, nitazoxanide, and lopinavir. Molecular modeling studies showed binding interactions of 19, 20, and 21 with hydrogen bonds to Gln189 and Glu166, arene–arene interaction between the thiazole moiety and His41, and other hydrophobic interactions between the ethene spacer moiety and Asn142. Moreover, an extra arene–arene interaction between substituted benzo[d]thiazole and His41 was observed regarding compounds 19 and 21. Surface mapping and flexible alignment proved the structural similarity between the new drug candidates and nitazoxanide. Compliance of the new compounds to Lipinski's rule of five was investigated and absorption, distribution, metabolism, excretion, and toxicology data were predicted. The newly synthesized compounds are promising template ligands for further development and optimization.
A new series of thiosemicarbazone‐based anti‐inflammatory agents exerting their action through cyclooxygenase inhibition
Authors: Altıntop Mehlika D. , Sever Belgin , Akalın Çiftçi Gülşen , Ertorun İpek , Alataş Özkan , Özdemir Ahmet
Published: May 2022

In an endeavor to identify potent anti‐inflammatory agents, new thiosemicarbazones (TSCs) incorporated into a diaryl ether framework (2a–2l) were prepared and screened for their in vitro inhibitory effects on cyclooxygenases (COXs). 4‐[4‐(Piperidin‐1‐ylsulfonyl)phenyl]‐1‐[4‐(4‐cyanophenoxy)benzylidene]thiosemicarbazide (2c) was the most potent and selective COX‐1 inhibitor in this series, with an IC50 value of 1.89 ± 0.04 µM. On the other hand, 4‐[4‐(piperidin‐1‐ylsulfonyl)phenyl]‐1‐[4‐(4‐nitrophenoxy)benzylidene]thiosemicarbazide (2b) was identified as a nonselective COX inhibitor (COX‐1 IC50 = 13.44 ± 0.65 µM, COX‐2 IC50 = 12.60 ± 0.78 µM). Based on molecular docking studies, the diaryl ether and the TSC groups serve as crucial moieties for interactions with pivotal amino acid residues in the active sites of COXs. According to MTT test, compounds 2b and 2c showed low cytotoxic activity toward NIH/3T3 cells. Their in vivo anti‐inflammatory and antioxidant potencies were also assessed using the lipopolysaccharide‐induced sepsis model. Compounds 2b and 2c diminished high‐sensitivity C‐reactive protein, myeloperoxidase, nitric oxide, and malondialdehyde levels. Both compounds also caused a significant decrease in aspartate aminotransferase levels as well as alanine aminotransferase levels. In silico pharmacokinetic studies suggest that compounds 2b and 2c possess favorable drug‐likeness and oral bioavailability. It can be concluded that these compounds may act as orally bioavailable anti‐inflammatory and antioxidant agents.
Molecular modeling and in vitro studies of gedunin a potent alpha‐amylase inhibitor and alpha‐glucosidase inhibitor
Authors: Dagar Priya , Mishra Abha
Published: May 2022

The present study explores the potential of the Azadirachta indica (Neem) plant parts (stem and bark) component gedunin for inhibition of alpha‐amylase and alpha glucosidase. In contrast, Methanol at 50 mg/ml and 65 mg/ml had the lowest IC50 in alpha glucosidase and alpha amylase with noncompetitive and mixed inhibition, respectively. Azadirachta indica seeds collected from ICAR showed anti‐diabetes activity in vitro and in vivo seeds collected were subjected to soxhlet and nonsoxhlet techniques followed by chromatography. HR‐LCMS, HPLC, and FTIR to comprehend phytoconstituents present in the extract were used to comprehend phytoconstituents present in the extract and showed the presence gedunin. Among many hits observed, gedunin was used for docking studies using ICM software and for molecular dynamic simulation using gromacs. The results show significant alpha‐amylase inhibitory activity and alpha glucosidase inhibitory activity and interaction of ligand targeting these enzymes, which can be used for cross‐validation, in vitro using ligplot maps and visualization.
First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement**
Authors: Herp Daniel , Ridinger Johannes , Robaa Dina , Shinsky Stephen A. , Schmidtkunz Karin , Yesiloglu Talha Z. , Bayer Theresa , Steimbach Raphael R. , Herbst‐Gervasoni Corey J. , Merz Annika , Romier Christophe , Sehr Peter , Gunkel Nikolas , Miller Aubry K. , Christianson David W. , Oehme Ina , Sippl Wolfgang , Jung Manfred
Published: May 2022

Histone deacetylases (HDACs) are important epigenetic regulators involved in many diseases, especially cancer. Five HDAC inhibitors have been approved for anticancer therapy and many are in clinical trials. Among the 11 zinc‐dependent HDACs, HDAC10 has received relatively little attention by drug discovery campaigns, despite its involvement, e. g., in the pathogenesis of neuroblastoma. This is due in part to a lack of robust enzymatic conversion assays. In contrast to the protein lysine deacetylase and deacylase activity of most other HDAC subtypes, it has recently been shown that HDAC10 has strong preferences for deacetylation of oligoamine substrates like acetyl‐putrescine or ‐spermidine. Hence, it is also termed a polyamine deacetylase (PDAC). Here, we present the first fluorescent enzymatic conversion assay for HDAC10 using an aminocoumarin‐labelled acetyl‐spermidine derivative to measure its PDAC activity, which is suitable for high‐throughput screening. Using this assay, we identified potent inhibitors of HDAC10‐mediated spermidine deacetylation in vitro. Based on the oligoamine preference of HDAC10, we also designed inhibitors with a basic moiety in appropriate distance to the zinc binding hydroxamate that showed potent inhibition of HDAC10 with high selectivity, and we solved a HDAC10‐inhibitor structure using X‐ray crystallography. We could demonstrate selective cellular target engagement for HDAC10 but a lysosomal phenotype in neuroblastoma cells that was previously associated with HDAC10 inhibition was not observed. Thus, we have developed new chemical probes for HDAC10 that allow further clarification of the biological role of this enzyme.
Bell’s palsy with preeclampsia in pregnancy
Authors: Dorjey Yeshey
Published: May 2022

Bell's palsy in pregnancy is not frequently seen. The association of preeclampsia with Bell's palsy is reported in the research, however, the exact link between Bell's palsy and preeclampsia is unknown. The treatment of Bell's palsy during the pregnancy is difficult and controversial. We report two cases of Bell's palsy with preeclampsia diagnosed during the third trimester of the pregnancy. The first case was diagnosed with Bell's palsy with severe preeclampsia with placental abruption with fetal distress; the pregnancy was terminated by cesarean section. Another case was diagnosed with Bell's palsy with mild preeclampsia. She had a spontaneous vaginal delivery at term. Both the cases achieved complete recovery from Bell's palsy after treatment with corticosteroid and antiviral drugs. Every obstetrician should be able to recognize Bell's palsy in pregnancy and initiate early treatment with corticosteroid and mount surveillance for preeclampsia.
Electrochemical Behaviour and Chemical Species of Sm(II) in AlCl3‐NaCl with Different Lewis Acidity
Authors: Chen Jiazhuang , Zhong Yuke , Liu Yalan , Zhang Lei , Li Mei , Han Wei , Chai Zhifang , Shi Weiqun
Published: May 2022

AlCl3‐NaCl was utilized as an electrolyte in this work due to its low melting point and Lewis acidity, in which samarium exists in two oxidation states, Sm(III) and Sm(II), resulting in unique electrochemical behaviours. Sm metal dissolves in AlCl3‐NaCl melt to form SmCl2, which is verified by electrochemical and spectroscopic techniques. As the Lewis acidity of the melt increases, the diffusion coefficient of Sm(II) gradually increases, and the activation energy of diffusion decreases. Moreover, an additional co‐reduction peak of Sm3+ and AlCl4− is observed to be more positive than that of Al(0)/Al(III) in Lewis basic melt, which may be tightly correlated with the variation of Sm(II) coordination in AlCl3‐NaCl melt and ligand variation from Cl− to AlCl4− and Al2Cl7− as the Lewis acidity of the AlCl3‐NaCl melt increases, according to the in situ electronic absorption spectra of Sm in this melt.
Macrocyclic Cavitand β‐Cyclodextrin Inhibits the Alcohol‐Induced Trypsin Aggregation
Authors: Pramanik Ushasi , Khamari Laxmikanta , Rai Saurabh , Mahato Paritosh , Nandy Atanu , Yadav Rahul , Agrawal Sameeksha , Mukherjee Saptarshi
Published: May 2022

Trypsin, the most abundant pancreatic protein, aids in protein digestion by hydrolysis and exhibits aggregation propensity in presence of alcohol, which can further lead to pancreatitis and eventually pancreatic cancer. Herein, by several experimental and theoretical approaches, we unearth the inhibition of alcohol‐induced aggregation of Trypsin by macrocyclic cavitand, β‐cyclodextrin (β‐CD). β‐CD interacts with the native protein and shows inhibitory effect in a dose dependent manner. Moreover, the secondary structures and morphologies of Trypsin in presence of β‐CD also clearly emphasize the inhibition of fibril formation. From Fluorescence Correlation Spectroscopy, we observed an enhancement in diffusion time of Nile Red with ∼2.5 times increase in hydrodynamic radius, substantiating the presence of fibrillar structure. Trypsin also shows reduction in its functional activity due to alcohol‐induced aggregation. Our simulation data reports the probable residues responsible for fibril formation, which was validated by molecular docking studies.
Paradoxical immunodeficiencies—When failures of innate immunity cause immunopathology
Authors: Kolter Julia , Henneke Philipp , Groß Olaf , Kierdorf Katrin , Prinz Marco , Graf Laura , Schwemmle Martin
Published: May 2022

Innate immunity facilitates immediate defense against invading pathogens throughout all organs and tissues but also mediates tissue homeostasis and repair, thereby playing a key role in health and development. Recognition of pathogens is mediated by germline‐encoded PRRs. Depending on the specific PRRs triggered, ligand binding leads to phagocytosis and pathogen killing and the controlled release of immune‐modulatory factors such as IFNs, cytokines, or chemokines. PRR‐mediated and other innate immune responses do not only prevent uncontrolled replication of intruding pathogens but also contribute to the tailoring of an effective adaptive immune response. Therefore, hereditary or acquired immunodeficiencies impairing innate responses may paradoxically cause severe immunopathology in patients. This can occur in the context of, but also independently of an increased microbial burden. It can include pathogen‐dependent organ damage, autoinflammatory syndromes, and neurodevelopmental or neurodegenerative diseases. Here, we discuss the current state of research of several different such immune paradoxes. Understanding the underlying mechanisms causing immunopathology as a consequence of failures of innate immunity may help to prevent life‐threatening disease.
Profiling of polar ionogenic metabolites in Polish wines by capillary electrophoresis‐mass spectrometry
Authors: van Mever Marlien , Fabjanowicz Magdalena , Mamani‐Huanca Maricruz , López‐Gonzálvez Ángeles , Płotka‐Wasylka Justyna , Ramautar Rawi
Published: May 2022

The composition of wine is determined by a complex interaction between environmental factors, genetic factors (i.e., grape varieties), and winemaking practices (including technology and storage). Metabolomics using NMR spectroscopy, GC‐MS, and/or LC‐MS has shown to be a useful approach for assessing the origin, authenticity, and quality of various wines. Nonetheless, the use of additional analytical techniques with complementary separation mechanisms may aid in the deeper understanding of wine's metabolic processes. In this study, we demonstrate that CE‐MS is a very suitable approach for the efficient profiling of polar ionogenic metabolites in wines. Without using any sample preparation or derivatization, wine was analyzed using a 10‐min CE‐MS workflow with interday RSD values for 31 polar and charged metabolites below 3.8% and 23% for migration times and peak areas, respectively. The utility of this workflow for the global profiling of polar ionogenic metabolites in wine was evaluated by analyzing different cool‐climate Polish wine samples.
Performance of modified generalized quadrature spatial modulation over correlated fading channels with imperfect channel information
Authors: Gunde Kiran , Sundru Anuradha
Published: May 2022

A generalized version of the quadrature spatial modulation (QSM) scheme is called a modified generalized QSM (mGQSM), which is proposed to enhance the spectral efficiency of QSM by considering multiple radio frequency chains. In QSM, the in‐phase and quadrature dimensions are used to transmit the data symbols. Using the QSM transmission principle, the mGQSM scheme can transmit the data symbols on different antennas ranging from to . Moreover, the proposed scheme provides an additional one bit data rate when compared to generalized QSM (GQSM). This paper presents the performance of mGQSM under imperfect channel conditions over correlated Rayleigh, Rician, and Nakagami‐m fading channels. For the computer simulations, we assume and various fading parameters for the Rician and Nakagami channels. The error performances of the mGQSM, GQSM, and QSM schemes are evaluated using the maximum‐likelihood (ML) detector. Under imperfect channel conditions, the mGQSM and QSM schemes are examined and compared. Furthermore, a low complexity ordered block minimum mean‐squared error (OB‐MMSE) detector is employed for the reduced‐codebook mGQSM (RC‐mGQSM), which achieves near‐ML performance with reduced complexity.
A time‐staggered second order conservative time scheme for variable density flow
Authors: Amino Hector , Flageul Cédric , Benhamadouche Sofiane , Tiselj Iztok , Carissimo Bertrand , Ferrand Martin
Published: May 2022

In this study, we present a robust conservative time‐staggered scheme for variable density flow. This pressure correction scheme uses the compressible Navier–Stokes equations and is implemented in the collocated finite‐volume open‐source computational fluid dynamics solver code_saturne. The Helmholtz equation is solved for the pressure increment, taking the thermodynamic pressure into account and avoiding the acoustic time step limitation. The internal energy equation is used and completed by a source term derived from the discrete kinetic energy equation, thus enforcing total energy conservation and consistency for irregular solutions. A numerical analysis providing conditions ensuring the positivity of the thermodynamic variables is proposed. The scheme is verified and validated against analytical and experimental test cases. Its ability to reproduce the pressure variation while conserving the mass is demonstrated. Its conservative property and time convergence order are also verified. An irregular shock solution is studied, emphasizing the importance of the source term in the internal energy equation. Finally, the scheme is validated against reference numerical results on a two‐dimensional natural convection cavity and experimental data on a three‐dimensional ventilation test case. The comparison against experimental data is made using first‐and second‐order turbulent simulations.
Functional neuroanatomy of English word reading in early bilingual and monolingual adults
Authors: Brignoni‐Pérez Edith , Jamal Nasheed I. , Eden Guinevere F.
Published: May 2022

Skilled reading is important in daily life. While the understanding of the neurofunctional organization of this uniquely human skill has advanced significantly, it does not take into consideration the common bilingual experiences around the world. To examine the role of early bilingualism on the neural substrates supporting English word processing, we compared brain activity, as well as functional connectivity, in Spanish‐English early bilingual adults (N = 25) and English monolingual adults (N = 33) during single‐word processing. Activation analysis revealed no significant differences between the two groups. A seed‐to‐voxel analysis using eight a priori selected seed‐regions (placed in regions known to be involved in reading) revealed relatively stronger functional connectivity in bilinguals between two sets of regions: left superior temporal gyrus seed positively with left lingual gyrus and left middle frontal gyrus seed negatively with left anterior cingulate cortex. Together these results suggest that an early Spanish‐English bilingual experience does not modulate local brain activity for English word reading. It does, however, have some influence on the functional intercommunication between brain regions during reading, specifically in two regions associated with reading, which are functionally connected to those inside and outside of the reading network. We conclude that brain regions involved in processing English words are not that different in Spanish‐English early bilingual adults relative to monolingual adult users of English.
Development of a framework and decision tool for the evaluation of health technologies based on surrogate endpoint evidence
Authors: Ciani Oriana , Grigore Bogdan , Taylor Rod S.
Published: May 2022

In the drive toward faster patient access to treatments, health technology assessment (HTA) agencies and payers are increasingly faced with reliance on evidence based on surrogate endpoints, increasing decision uncertainty. Despite the development of a small number of evaluation frameworks, there remains no consensus on the detailed methodology for handling surrogate endpoints in HTA practice. This research overviews the methods and findings of four empirical studies undertaken as part of COMED (Pushing the Boundaries of Cost and Outcome Analysis of Medical Technologies) program work package 2 with the aim of analyzing international HTA practice of the handling and considerations around the use of surrogate endpoint evidence. We have synthesized the findings of these empirical studies, in context of wider contemporary body of methodological and policy‐related literature on surrogate endpoints, to develop a web‐based decision tool to support HTA agencies and payers when faced with surrogate endpoint evidence. Our decision tool is intended for use by HTA agencies and their decision‐making committees together with the wider community of HTA stakeholders (including clinicians, patient groups, and healthcare manufacturers). Having developed this tool, we will monitor its use and we welcome feedback on its utility.
Are firms with ‘deep pockets’ more responsive to tort liability? Evidence from nursing homes
Authors: Brickley James A. , Lu Susan F. , Wedig Gerard J.
Published: May 2022

We provide time series evidence of tort reform's impact on inputs and quality in the nursing home industry. Between 2000 and 2010, 11 state reforms capped noneconomic damages for health care services. Small chain and unaffiliated nursing homes enjoyed “judgment proof standing” and were less apt to be sued, prior to reform. We find that the managers of such homes were relatively unresponsive to the implementation of state caps on noneconomic damages. Large “deep‐pocketed” chain‐affiliated homes lacked judgment proof standing and implemented greater reductions in their nursing inputs in the aftermath of tort relief. However, we find little evidence of service quality erosion across four measured dimensions of care outcomes. Our findings are consistent with a “defensive care” model in which large chain homes employ unproductive inputs in an effort to meet a negligence standard of care.
Can a global budget improve health care efficiency? Experimental evidence from China
Authors: Zhang Hao , Zhang Luying , Xu Roman , Pan Jay , Hu Min , Jian Weiyan , Yip Winnie
Published: May 2022

Health care in China suffers from substantial allocative inefficiency in the delivery system and technical inefficiency within hospitals. To ameliorate this problem in rural areas, the Analysis of Provider Payment Reforms on Advancing China's Health (APPROACH) project shifted the payment method of China's rural health insurance scheme for county hospitals from fee‐for‐service to a novel global budget. In particular, APPROACH global budget incentivized system‐level allocative efficiency by reimbursing county hospitals at higher tariffs for gatekeeping and averting out‐of‐county (OOC) admissions among local patients they could treat. APPROACH conducted a large‐scale randomized controlled trial of the global budget in 56 counties (22 million enrollees) of Guizhou province during 2016–2017. Applying randomization inference to claims data, we find a significant shift of inpatient utilization and expenditure from OOC hospitals to county hospitals. At county hospitals, average expenditure per admission and length of stay decreased, though not significantly. Effects on readmissions show no clear sign of compromised quality. We further find limited effect heterogeneity with respect to treatment and hospital characteristics. Overall, APPROACH global budget may offer a framework for improving health care efficiency without sacrificing quality.
The matching law provides a quantitative description of social time allocation in children with autism
Authors: Morris Samuel L. , Vollmer Timothy R.
Published: May 2022

Recent research has developed and evaluated assessments of sociability in which time allocation near or away from an adult who initiates social interactions is used to characterize the participant as social, indifferent, or avoidant of social interaction. Though these qualitative outcomes have been useful, no studies have evaluated methods of obtaining more quantitative measures of sociability. The matching law has been demonstrated to describe a wide range of human behavior and may also be useful in describing social time allocation. We adapted the matching law and assessment of sociability procedures with the aim of providing a more precise, quantitative measure of sociability. We fitted the matching equation to the social time allocation data of 8 children with autism spectrum disorder. The equation was effective in quantifying sociability, accounted for a large proportion of variance in participants' behavior, did so equally well for participants who were social and avoidant, and provided a more sensitive measure relative to those used in previous research. The implications of this methodology, its potential utility, and directions for future research are discussed.
Workforce culture diversity and compliance costs in the global banking sector
Authors: Bai Min , Hou Greg , Scrimgeour Frank
Published: May 2022

Business cultural diversity is particularly important in the Banking sector. Using 2002 to 2018 data from 516 banks across the globe, this study provides evidence–both board diversity and workforce diversity have a significant negative relationship with ethics compliance costs, implying that enhancing diversity in the board room and employee workforce improves the ethical performance of banks. And, the results show a significant positive relationship between diversity compliance costs and ethics compliance costs. We further demonstrate a significant inverse U‐shape between diversity in the workforce and costs of business unethical behavior in the banking sector. The results remain statistically and quantitatively unchanged from further robustness tests and endogeneity estimates. Overall, this paper sheds light and highlights the important role of diversity in shaping banks' ethics activities and performance.
PyFREC 2.0: Software for excitation energy transfer modeling
Authors: Kosenkov Dmitri
Published: May 2022

Excitation energy transfer is a ubiquitous process of fundamental importance for understanding natural phenomena, such as photosynthesis, as well as advancing technologies ranging from photovoltaics to development of photosensitizers and fluorescent probes used to explore molecular interactions inside living cells. The current version of PyFREC 2.0 is an advancement of the previously reported software (D. Kosenkov, J. Comput. Chem. 2016, 37, 1847–1854). The current update is primarily focused on providing a computational tool based on Förster theory for bridging a gap between theoretically calculated molecular properties (e.g., electronic couplings, orientation factors, etc.) and experimentally measured emission and absorption spectra of molecules. The software is aimed to facilitate deeper understanding of photochemical mechanisms of fluorescence resonance energy transfer (FRET) in donor–acceptor pairs. Specific updates of the software include implementations of overlap integrals between donor emission and acceptor absorption spectra of FRET pairs, estimation of Strickler–Berg fluorescence lifetimes, calculation of Förster radii, energy transfer efficiency, and radiation zones that, in particular, determine applicability of the Förster theory.
King Arthur's lessons for leadership and superior performance—From screen to real life
Authors: Sabino Ana , Cesário Francisco , Andrade Luis José , Teobaldi Filipe
Published: May 2022

Over time, different authors have suggested a set of competencies related to leadership and superior performance. We used a cinematic approach to reflect on six theoretical approaches using six King Arthur films from 1950 until 2017. We learned that films can be tools to enhance leadership and superior performance.
Deep inspiratory breath‐hold radiotherapy for left‐sided breast cancer: Initial experience with Active Breathing Coordinator™ in a regional hospital
Authors: Kim Bomi , Little David , Groen Julie , Yi Ma , James Melissa
Published: May 2022

Introduction

Deep inspiratory breath‐hold (DIBH) has become standard in radiotherapy for left‐sided breast cancer to reduce the heart dose. This study evaluated breath‐hold stability and reproducibility using Elekta's Active Breathing Coordinator™ (ABC) and its effectiveness and feasibility in left‐sided breast cancer patients undergoing radiotherapy.

Methods

Eligible patients were planned with free breathing (FB) and DIBH protocols. DIBH treatment was considered if the mean heart dose (MHD) was ≥2 Gy on the FB plan. Those who proceeded with DIBH treatment were enrolled for the pilot study. Electronic portal images of DIBH treatment beams were taken using the movie‐exposure mode for breath‐hold stability and reproducibility analysis. DIBH effectiveness in heart dose reduction and impact on simulation and treatment durations were compared with FB protocol.

Results

Out of 56 eligible patients, 15 proceeded with DIBH treatment. The mean difference of patient setup within a single breath‐hold was 0.4 mm; between different breath‐holds of the same beam 1.1 mm and between different days 2.6 mm. DIBH reduced the MHD by 47% and the mean left anterior descending artery (LAD) dose by 35%. DIBH took longer time than FB in simulation and treatment. At least 14% of the eligible patients did not tolerate DIBH during simulation.

Conclusions

ABC leads to stable and reproducible breath‐holds and results in significant heart dose reductions. It may not be tolerated by all patients and has resource implications.
Design of graphene‐constituted Frequency Selective Surface‐based perfect absorbers in THz regime—A circuit analysis approach
Authors: Das Priyanka , Mandal Kaushik
Published: May 2022

In this article, novel designs of two different types of graphene‐based absorbers of arbitrary geometry have been investigated. The first absorber uses a graphene sheet and an array of metallic patches on silicon substrate for dual‐band absorption without the application of chemical potential. The second absorber is formed of a combination of graphene and metallic patches on the same substrate and is tunable over the frequency range 6.2–6.6 THz. Tunability is employed by electrostatic biasing of graphene patches from 0.4 to 1 eV. Using only a single layer of patterned graphene patches of two different sizes loaded around a square‐shaped metallic patch on SiO2 substrate, an absorption bandwidth of 500 GHz is exhibited. The proposed absorbers are analyzed rigorously by an equivalent circuit model (ECM). The validation of ECM analysis is done through full‐wave simulations in CST 2021.
An inner filter effect‐based nitrogen‐doped carbon dots–CoOOH nanoflakes fluorescence probe for detection of ascorbic acid by chemical redox modulation
Authors: Lan Wei , Hai Chengying , Shi Qiong , Wang Shuo , Deng Gaoqiong , Chen Hengye , Wang Youyou , Yang Jian , Fu Haiyan
Published: May 2022

BACKGROUND

Ascorbic acid (AA) is an essential nutrient for humans, which must be obtained from vegetables, fruits, and other foods. The content of AA has become an important standard to evaluate the quality and nutritional value of food. The fluorescence sensing method based on nanomaterials is a good alternative for the rapid detection of AA. In this study, we developed an inner filter effect‐based fluorescent probe that hybridized nitrogen‐doped carbon dots (NCDs) with cobalt oxyhydroxide nanoflakes (CoOOH NFs).

RESULTS

An optimal NCDs was successfully selected because it has a strong fluorescence at 430 nm and the most significant quenching phenomenon with CoOOH NFs due to the inner filter effect. When adding AA into the NCDs–CoOOH NFs probe solution, a specific redox reaction will occur between the enediol group of AA and the CoOOH NFs to interfere with the quenching ability of CoOOH NFs and recover the fluorescence of NCDs. The recovered fluorescence intensities demonstrated a linear relationship with the concentrations of AA. The assay based on the NCDs–CoOOH NFs probe allows AA to be tested in a wide range of 5–200 μmol L−1 with a detection limit of 2.31 nmol L−1. Furthermore, to evaluate its practical application, the NCDs–CoOOH NFs fluorescence probe was utilized to analyze AA in vegetable, fruit, and serum matrixes with satisfactory results.

CONCLUSION

An inner filter effect‐based fluorescence probe for the rapid detection of AA was developed, and it has a good potential to be applied in both food and clinical testing. © 2022 Society of Chemical Industry.
Isolation, identification and sensory evaluation of kokumi peptides from by‐products of enzyme‐modified butter
Authors: Yang Zhijie , Wang Jiao , Han Zhaosheng , Blank Imre , Meng Fanyu , Wang Bei , Cao Yanping , Tian Huaixiang , Chen Chen
Published: May 2022

Background

Enzyme‐modified butter is used as a common raw material to obtain a natural milk flavor. Butter protein is a by‐product in butter processing that can be used as substrate to produce taste‐active peptides, which can create additional value and new application opportunities, making the method more environmentally friendly.

Results

Putative kokumi peptides from hydrolysates of protein by‐products were isolated by gel filtration chromatography and reversed‐phase high‐performance liquid chromatography. The isolated peptide fraction with the most pronounced kokumi taste was screened by sensory evaluation and electronic tongue analysis. Eleven peptides were identified by matrix‐assisted laser desorption/ionization‐time of flight mass spectrometry. Six peptides were synthesized to verify their taste characteristics. Five synthetic peptides (FTKK, CKEVVRNANE, EELNVPG, VPNSAEER and YPVEPFTER) showed different intensity levels of kokumi taste. Of these peptides, the decapeptide CKEVVRNANE had the highest kokumi intensity.

Conclusion

The newly identified kokumi peptides increased the kokumi taste intensity and showed some synergistic effect with umami taste. Both termini of the peptides seem to play an important role in taste characteristic. Glu residue at both termini can increase the kokumi taste intensity. This work indicated that it was feasible to produce kokumi peptides by enzymatic hydrolysis of the protein by‐products of butter. © 2022 Society of Chemical Industry.
Fast‐Dip Layer‐by‐Layer Self‐Assembly of Polyelectrolytes as a Low‐Cost Biosensing Platform
Authors: Boranna Rakshith , Vishwaraj Naik Parrikar , Pahal Suman , Nataraj Chandrika Thondagere , Jagannath Raviprasad Kogravalli , Nanjunda Shivananju Bannur , Prashanth Gurusiddappa R.
Published: May 2022

Polyelectrolyte multilayer (PEM) films fabricated using Layer‐by‐Layer (LbL) self‐assembly are most versatile for numerous surface tailoring applications. Physicochemical customization of PEM at a nanometer scale is possible by choice of incorporated materials, assembly parameters, and assembly techniques. Conventional dip (CDip) (10–15 min dip time) coating dominates the PEM fabrication due to its simple, geometry‐independent, and economical coating capabilities. Deposition of the PEM in CDip‐LbL happens in two phases, that is, the initial adsorption phase followed by rearrangement of the complementary polyelectrolyte chains. By shortening the prolonged rearrangement phase, thicker stratified PEM films can form with a reduced dipping time (1 min), called Fast Dip (FDip). This reduction in the dipping time is studied in situ using Etched Fiber Bragg Grating‐based sensors. To define the practical utility of the FDip deposited PEM, bio‐molecular loading studies are performed using biotin and Bovine Serum Albumin (BSA). FDip‐LbL is as effective as CDip‐LbL self‐assembly and also better than spin‐LbL. Thus, the FDip deposition prompts a scalable LbL self‐assembly process for quick fabrication of the biosensing platforms.
An inertial primal‐dual fixed point algorithm for composite optimization problems
Authors: Wen Meng , Tang Yuchao , Cui Angang , Peng Jigen
Published: May 2022

In this paper, we consider an inertial primal‐dual fixed point algorithm (IPDFP) to compute the minimizations of the sum of a non‐smooth convex function and a finite family of composite non‐smooth convex functions, each one of which is composed of a non‐smooth convex function and a bounded linear operator. This is a full splitting approach, in the sense that non‐smooth functions are processed individually via their proximity operators. The convergence of the IPDFP is obtained by reformulating the problem to the sum of three non‐smooth convex functions. Furthermore, we propose a preconditioning technique for the IPDFP. The key idea of the preconditioning technique is that the constant iterative parameters are updated self‐adaptively in the iteration process. What's more, we also give a simple and easy way to choose the diagonal preconditioners while the convergence of the iterative algorithms is maintained. This work brings together and notably extends several classical splitting schemes, like the primal‐dual method proposed by Chambolle and Pock, and the recent proximity algorithms of Charles et al. designed for the
/TV image denoising model. The iterative algorithm is used for solving non‐differentiable convex optimization problems arising in image processing.
Miniaturization of a wideband magnetoelectric dipole antenna by folding
Authors: Li Jie , Chen Xing , Hao Shu‐Ji , Cui Yu‐Guo
Published: May 2022

In this Letter, we investigate a wideband magnetoelectric dipole antenna miniaturized by folding. In the proposed design, a folded L‐shaped electric dipole is used instead of the conventional half‐wavelength horizontal electric dipole, and a pair of vertically folded shorted patches act as a magnetic dipole, producing a miniaturized radiator. Furthermore, a small‐size U‐shaped reflector replaces the traditional large‐size planar reflector, resulting in a decrease in the low end of the frequency band, while the high end of the frequency band remains almost unchanged. A better impedance matching is also obtained over the entire operating frequency band. Ultimately, a miniaturized overall structure and a wide bandwidth are obtained simultaneously. The overall size of the proposed antenna is only (where is the longest operating wavelength), which is 82% smaller than the size of the original design, but the proposed antenna can still obtain a large bandwidth of 120% (1–4 GHz) for VSWR < 2. Furthermore, stable radiation patterns are realized with an average gain of 5 dBi within the operating frequency band.