bluuebunny/crossref_metadata_2025 huggingface dataset:
Heterojunction Nanomedicine
Authors: Pan Chao , Mao Zhuo , Yuan Xue , Zhang Hanjie , Mei Lin , Ji Xiaoyuan
Published: February 2022

Exogenous stimulation catalytic therapy has received enormous attention as it holds great promise to address global medical issues. However, the therapeutic effect of catalytic therapy is seriously restricted by the fast charge recombination and the limited utilization of exogenous stimulation by catalysts. In the past few decades, many strategies have been developed to overcome the above serious drawbacks, among which heterojunctions are the most widely used and promising strategy. This review attempts to summarize the recent progress in the rational design and fabrication of heterojunction nanomedicine, such as semiconductor–semiconductor heterojunctions (including type I, type II, type III, PN, and Z–scheme junctions) and semiconductor–metal heterojunctions (including Schottky, Ohmic, and localized surface plasmon resonance–mediated junctions). The catalytic mechanisms and properties of the above junction systems are also discussed in relation to biomedical applications, especially cancer treatment and sterilization. This review concludes with a summary of the challenges and some perspectives on future directions in this exciting and still evolving field of research.
Avoiding CO2 Improves Thermal Stability at the Interface of Li7La3Zr2O12 Electrolyte with Layered Oxide Cathodes
Authors: Kim Younggyu , Waluyo Iradwikanari , Hunt Adrian , Yildiz Bilge
Published: February 2022

Solid‐state batteries promise higher energy densities and better safety than Li‐ion batteries with liquid electrolytes. However, the interface between solid electrolyte and cathode is unstable at the elevated temperatures that are needed while sintering to achieve good bonding between ceramic components. Here, the hypothesis is that, the gas environment, especially the presence of CO2, is critical in determining the stability of the solid electrolyte–cathode interface. The effect of gas species on the interface is systematically probed, by a using Li7La3Zr2O12 (LLZO) solid electrolyte with a thin film LiNi0.6Mn0.2Co0.2O2 cathode as a model system to enable interface sensitivity. Detrimental phases formed at the interface and their onset conditions are identified by X‐ray absorption spectroscopy, X‐ray diffraction, and Gibbs free energy analysis. As a result, removing CO2 and minimizing H2O(g) during sintering is necessary to obtain good contact at the LLZO|cathode interface without forming secondary phases. Sintering in O2 is ideal, yielding excellent chemical stability and low interfacial resistance. Secondary phases also do not form in N2, but oxygen loss occurs at elevated temperatures. The interfacial resistance obtained upon sintering in pure O2 is comparable to the lowest values at LLZO interfaces with protective coatings, but here without the need for interface coatings.
Advances in Oxygen Evolution Electrocatalysts for Proton Exchange Membrane Water Electrolyzers
Authors: Chen Zhichao , Guo Lei , Pan Lun , Yan Tianqing , He Zexing , Li Yue , Shi Chengxiang , Huang Zhen‐Feng , Zhang Xiangwen , Zou Ji‐Jun
Published: February 2022

Proton exchange membrane water electrolyzer (PEMWE) technology is of interest in the context of electrocatalytic hydrogen generation from renewable energies. It has the benefits of immediate response, higher proton conductivity, lower ohmic losses, and gas crossover rate. One key step toward to large‐scale application, is the development of highly efficient, durable, and compatible anodic oxygen evolution electrocatalysts in acidic media to decrease the usage of expensive and scarce precious metals. Within this scenario, an in‐depth understanding of oxygen evolution reaction mechanisms including the adsorption evolution mechanism and lattice oxygen evolution mechanism is first provided to aid development of innovative materials and elucidate the origin of catalyst degradation. Second, recent progress in the development of oxygen evolution electrocatalysts in acid media is reviewed with an emphasis on the underlying structure–performance relationships. Third, the current application status and research progress in PEMWEs along with representative examples are discussed. Last, the remaining challenges and promising insights are proposed to inspire future studies on the development of hydrogen production technology from renewable energy.
Rhodium(III)‐catalyzed Cleavage of C−C Bond and C−H Bond Cascaded by Michael Addition for the Conversion of α‐Hydroxy Ketones to Phthalides and Isocoumarins
Authors: Yin Fucheng , Peng Wan , Wang Cheng , Qu Lailiang , Chen Xinye , Kong Lingyi , Wang Xiaobing
Published: February 2022

A protocol for Rh(III)‐catalyzed cleavage of C−C bond and C−H bond cascaded by Michael addition of α‐hydroxy ketones was established. The method allows the rapid construction of phthalides and isocoumarins skeleton. A total of 62 phthalides and isocoumarins were obtained with yields up to 91% demonstrating the broad applicability of the protocol. This efficient cascade catalysis can be applied to the total synthesis of the natural products isoochracinic acid and sparstolonin B. The reaction mechanism, especially the dimerization process of the α‐hydroxyketone, is unique. Further studies of the reaction using control experiments, in situ NMR analysis, cyclic voltammogram and isotope tracking experiments have provided insight into the reaction mechanism.
The costs of treating all‐cause dementia among American Indians and Alaska native adults who access services through the Indian Health Service and Tribal health programs
Authors: O'Connell Joan , Grau Laura , Goins Turner , Perraillon Marcelo , Winchester Blythe , Corrada Maria , Manson Spero M. , Jiang Luohua
Published: February 2022

Introduction

Little is known about treatment costs for American Indian and Alaska Native (AI/AN) adults with dementia who access services through the Indian Health Service (IHS) and Tribal health programs.

Methods

We analyzed fiscal year 2013 IHS/Tribal treatment costs for AI/ANs aged 65+ years with dementia and a matched sample without dementia (n = 1842) to report actual and adjusted total treatment costs and costs by service type. Adjusted costs were estimated using multivariable regressions.

Results

Mean total treatment cost for adults with dementia were $13,027, $5400 higher than for adults without dementia ($7627). The difference in adjusted total treatment costs was $2943 (95% confidence interval [CI]: $1505, $4381), the majority of which was due to the difference in hospital inpatient costs ($2902; 95% CI: $1512, $4293).

Discussion

Knowing treatment costs for AI/ANs with dementia can guide enhancements to policies and services for treating dementia and effectively using health resources.
A Metal‐Phenolic Nanosensitizer Performs Hydrogen Sulfide‐Reprogrammed Oxygen Metabolism for Cancer Radiotherapy Intensification and Immunogenicity
Authors: Li Jie , Xie Lisi , Sang Wei , Li Wenxi , Wang Guohao , Yan Jie , Zhang Zhan , Tian Hao , Fan Quli , Dai Yunlu
Published: February 2022

Radiotherapy (RT) is hampered by the limited oxygen in tumors, which could be potentiated via reprogramming the oxygen metabolism and increasing the oxygen utilization efficiency. Herein, a metal‐phenolic nanosensitizer (Hf‐PSP‐DTC@PLX) was integrated via an acid‐sensitive hydrogen sulfide (H2S) donor (polyethylene glycol‐co‐polydithiocarbamates, PEG‐DTC) and a hafnium‐chelated polyphenolic semiconducting polymer (Hf‐PSP) in an amphiphilic polymer (poloxamer F127, PLX). Hf‐PSP‐DTC@PLX elicited a high imaging performance for precise RT and generated H2S to reduce the cellular oxygen consumption rate via mitochondrial respiration inhibition, which reprogrammed the oxygen metabolism for improvement of the tumor oxygenation. Then, Hf‐sensitization could fully utilize the well‐preserved oxygen to intensify RT efficacy and activate immunogenicity. Such a synergistic strategy for improvement of oxygenation and oxygen utilization would have great potential in optimizing oxygen‐dependent therapeutics.
Acorrosion‐resistancewaterborne polyacrylate coatings based on novel phosphate esters polymeric surfactant
Authors: Ma Guo‐Yan , Wang Cheng‐Jun , Du Chun‐Bao , Li Xi , Wang Xiao‐Rong
Published: February 2022

Novel polymeric surfactant (MBSP) is obtained with phosphate esters monomer (PEGMAP) as the functional monomer in the presence of other acrylic monomers. The synthesized MBSP is further used as emulsifier for preparing the corrosion‐resistance polyacrylate coatings (PAMBSP). Attenuated total reflection Fourier transform infrared (ATR‐FTIR) and nuclear magnetic resonance results show that phosphate esters functional monomer was introduced into the MBSP molecular chains. The surface tension measurements illustrated that with the PEGMAP content 1%, the lowest surface tension 44.45 mN/m and the equilibrium concentration critical micellar concentration (CMC) 1.02 g/L of MBSP are obtained. The stability analysis of the PAMBSP emulsions demonstrates that the Turbiscan Stability Index (TSI) value decreased from 0.64 to 0.32 with the PEGMAP content increased from 1% to 3%. The electrochemical analysis displays that with PEGMAP content 3%, the biggest corrosion potential −0.02 V, smallest etching current density 2.19 × 10−9A•cm2and biggest impedance modulus 1.46 × 107 Ω·cm2was obtained.
Highly resolved modeling of extreme wind speed in North America and Europe
Authors: Jung Christopher , Demant Laura , Meyer Peter , Schindler Dirk
Published: February 2022

High wind speed (U) is one of the most dangerous natural hazards in North America and Europe. As a result, spatially explicit, statistical estimation of extreme U is of particular relevance for many sectors. However, the most common sources of wind speed data such as reanalysis data and in situ measurements are limited for this purpose due to their coarse spatial resolution and low representativeness. Thus, the main goal was to develop a high spatial resolution (250 m × 250 m) model (GloWiSMo‐X) for monthly mapping of the maximum hourly U for a 10‐year return period (U10yr) in North America and Europe. The multistep development of GloWiSMo‐X is based on 2544 hourly U time series available from the integrated surface global hourly meteorological data set (UNCEI), U time series from ERA5 (UERA5), and mean wind speed from the Global Wind Speed Model (). Firstly, the block maxima method was applied to estimate monthly wind speed for a 10‐year return period for both UNCEI (U10yr,NCEI) and UERA5 (U10yr,ERA5). Secondly, the least squares boosting approach was used to predict the target variable yielding the predictions . The predictor variables U10yr,ERA5, , continent, and month were used as input. It was found that the highest monthly continental means of () in January are 16.4 m/s in North America and 16.3 m/s in Europe. dropped to 13.4 m/s and 12.5 m/s in August. The annual cycle of is more pronounced in Europe than in North America. The central parts of the USA and Western Europe were identified as intracontinental regions with the highest . GloWiSMo‐X proves to be very broadly applicable as it covers two different continents and all months. The model validation by the mean squared error (MSE) demonstrates its improved predictive power compared to ERA5.
Clarification on the Gassing Behavior of Carbon‐Coated Li4Ti5O12 at Elevated Temperature: Importance of Coating Coverage
Authors: Govindarajan Kaviarasan , Nasara Ralph Nicolai , Lin Shih‐kang
Published: February 2022

Lithium‐ion batteries (LIBs) have become vital energy‐storage devices in electric vehicles (EVs). Li4Ti5O12 (LTO) is a promising material of LIB because of its high rate capability, cyclability, and safety compared to the graphite‐based anode materials in commercial LIBs. However, one of the major concerns in LTO‐based LIBs is gassing, which results from the interfacial reaction between LTO and organic electrolyte solutions, unlike the reduction decomposition of an electrolyte in graphite electrodes. Carbon coating on LTO has been proposed to mitigate the gassing by preventing such side reactions, even though reports have been conflicting. In this work, there are different kinds of carbon‐coated LTO deposited using the thermal decomposition of ethanol that has been investigated at elevated temperature using In Operando pressure analysis to answer the paradox of the effect of carbon coating on the gassing behavior on LTO. Our Spatial Raman Spectroscopy Analysis (SRS) shows that the carbon coating coverage is likely responsible for the discrepancy in the gassing behavior reported by other studies. Our proposed deposition process achieves complete coverage with an ultrathin 3 nm carbon coating layer which mitigates the interfacial reactions while improving electrochemical performance.
Einfluss der Stahlfaserbewehrungsarten auf den Betonversagenswiderstand von Befestigungen
Authors: Spyridis Panagiotis , Hufelschulte Franziska , Mellios Nikolaos
Published: February 2022

Eine häufige Bemessungssituation für verschiedene Bauwerke (z. B. Bodenplatten, Industrieböden und Tunnel) sind Verbindungen von tragenden und nichttragenden Elementen auf einem stahlfaserverstärkten Betonuntergrund. Folglich wurde in letzter Zeit ein starkes Forschungsinteresse auf diese konstruktive Lösung gelenkt. Während sich verschiedene Untersuchungen auf normalen und faserbewehrten Beton mit unterschiedlichen Dübeltypen und Fasereigenschaften konzentriert haben, fehlt derzeit ein Einblick in den Einfluss von Stahlfasern mit unterschiedlichen Eigenschaften unter ansonsten vergleichbaren Bedingungen. Diese Forschungsarbeit bietet einheitliche Erkenntnisse zum Einfluss des Fasertyps auf die Betonausbruchskapazität von Befestigungen und ermöglicht eine erneute Überprüfung der derzeit empfohlenen Bemessungsansätze.
Halogenated β‐diketiminato magnesium complexes: Preparation, characterization, and catalysis for ring‐opening polymerization of aliphatic lactones
Authors: Mou Zehuai , Xing Fangyu , Gu Jialu
Published: February 2022

The halogenated β‐diketiminato magnesium butyl complexes LXMgBu(THF) (X = Cl (1), Br (2)) and allyl complexes LXMg(allyl)(THF) (X = Cl (3), Br (4)) (LCl = ((2,6‐Cl2C6H3)N═C(Me)CH═C(Me)N(2,6‐Cl2C6H3)), LBr = ((2,6‐Br2C6H3)N═C(Me)CH═C(Me)N(2,6‐Br2C6H3)) were prepared and characterized. The treatment of butyl complex 2 with (S)‐1‐phenylethanol gave the corresponding alkoxide complex [LBrMgOCHMePh]2 (5), the dimeric structure of which was confirmed by single‐crystal x‐ray diffraction. When bulky diphenylmethanol was employed to react with Complex 2, THF‐ligated monomeric complex LBrMgOCHPh2(THF) (6) was afforded. The catalytic performances of these magnesium complexes for ring‐opening polymerization of ε‐caprolactone (ε‐CL), δ‐valerolactone (δ‐VL), and γ‐butyrolactone (γ‐BL) were evaluated.
Associations of insulin resistance and inflammatory biomarkers with endometrial cancer survival: The Alberta endometrial cancer cohort study
Authors: Morielli Andria R. , Kokts‐Porietis Renée L. , Benham Jamie L. , McNeil Jessica , Cook Linda S. , Courneya Kerry S. , Friedenreich Christine M.
Published: February 2022

Background

Metabolic dysfunction and inflammation have been associated with endometrial cancer risk; however, their influence on endometrial cancer survival is less understood.

Methods

A prospective cohort study of 540 endometrial cancer cases diagnosed between 2002 and 2006 in Alberta were followed for survival outcomes to 2019. Baseline blood samples collected either pre‐ or post‐hysterectomy were analyzed for glucose, insulin, adiponectin, leptin, tumor necrosis factor‐α, interleukin‐6, and C‐reactive protein. Covariates were obtained during in‐person interviews and via medical chart abstraction. Cox proportional hazard regression models were used to estimate multivariable‐adjusted hazard ratios (HR) and 95% confidence intervals (95% CI) for the association between each biomarker and disease‐free and overall survival.

Results

Blood samples were collected from 520 of the 540 participants (presurgical n = 235; postsurgical n = 285). During the median follow‐up of 14.3 years (range 0.4–16.5 years), there were 125 recurrences, progressions, and/or deaths with 106 overall deaths. None of the biomarkers were associated with disease‐free or overall survival in multivariable‐adjusted analyses. In an exploratory stratified analysis, the highest level of presurgical adiponectin, compared to the lowest level, was associated with improved disease‐free (HR = 0.42, 95% CI = 0.20–0.85) and overall (HR = 0.41, 95% CI = 0.18–0.92) survival, whereas no statistically significant associations were noted for postsurgical measures of adiponectin.

Conclusions

Overall, there was no evidence of an association between biomarkers of insulin resistance and inflammation with mortality outcomes in endometrial cancer survivors. Future cohort studies with serial blood samples are needed to understand the impact of changes in insulin resistance and inflammatory markers on endometrial cancer survival.
How to measure outcome? A perspective from the dynamic complex systems approach
Authors: Schiepek Günter , de Felice Giulio , Desmet Mattias , Aichhorn Wolfgang , Sammet Isa
Published: February 2022

The evaluation and assessment of outcome is an important issue in psychotherapy research and practice. Since the beginning of empirical research, the effectiveness of treatments has been in the focus of interest to optimise mental health care. Despite this importance, the assessment of outcome by pre‐to‐post comparisons of point measures is hampered by some limitations. These include, amongst others, the predominant use of standard questionnaires neglecting personalised outcome criteria, the focus on point measures that ignore dynamic patterns representing the volatility of mental functioning, memory biases that become important if a recall of longer time periods is urged, and the non‐ergodicity of trajectories of change. Based on new methods of digitalised data collection in the real‐life setting of patients, some conclusions for process and outcome monitoring can be drawn: first, most mental diseases are characterised by specific dynamic patterns (dynamic diseases) whose changes can be assessed by high‐frequency time sampling, for example daily assessments of patients. Second, personal criteria for self‐assessments can be identified by multiperspective case formulations. Third, electronic devices such as smartphones allow for data collection in the real‐world settings of patients, which gives access to experiences in their ecosystems.
Rules all the way down: Consumer behaviour from the standpoint of the ‘ONE behavioural’ research programme
Authors: Earl Peter E.
Published: February 2022

This article sets out a unified behavioural research programme that integrates compatible elements of old, new and evolutionary behavioural approaches to economics as an alternative to the dominant unified approach to economics based on rational choice theory and a Walrasian view of market coordination. However, the proposed programme can also be viewed as a general framework for interdisciplinary research on consumer behaviour. It employs the view of scientific research programmes proposed by Lakatos, setting out groups of ‘hard‐core’ propositions and their associated ‘do’ and ‘do not’ rules for the conduct of researchers. The unifying theme is that evolution in the economy (and in human systems more generally) entails the creation, adoption and abandonment of rules for dealing effectively with open‐ended choice problems that are bedevilled by infinite regress problems and cognitive challenges that people seek to address via personal repertoires of hierarchically related rules. To anticipate behaviour, researchers need to develop knowledge of these rules (including heuristics and routines), their functionality and the processes by which they get changed or prove difficult to change even where they cause problems.
Asymmetric Synthesis of Bicyclic Pyrazolidinones through Alkaloid‐Catalyzed [3+2]‐Cycloadditions of Ketenes and Azomethine Imines
Authors: Mondal Mukulesh , Mitra Shubhanjan , Twardy Dylan J. , Panda Manashi , Wheeler Kraig A. , Kerrigan Nessan J.
Published: February 2022

A versatile asymmetric synthesis of bicyclic pyrazolidinones through alkaloid‐catalyzed formal [3+2]‐ and [3+2+2]‐cycloadditions of ketenes with azomethine imines is described. The methodology was found to be tolerant of ketene and a variety of monosubstituted ketenes (R=alkyl, OAc). The products were formed in good to excellent yields (71–99 % for 24 examples, 39 examples in all), with good to excellent diastereoselectivity in many cases (dr 3 : 1 to 27 : 1 for 22 examples), and with excellent enantioselectivity for most examples (≥93 % ee for 34 products). In the case of most disubstituted ketenes, the reaction proceeded through a [3+2+2]‐cycloaddition to form structurally interesting bicyclic pyrazolo‐oxadiazepinediones with moderate diastereoselectivity (dr up to 3.7 : 1) and as racemic mixtures (3 examples). The method represents the first unambiguous example of an enantioselective reaction between ketenes and a 1,3‐dipole.
Planar Chiral Rhodium Complexes of 1,4‐Benzoquinones
Authors: Ankudinov Nikita M. , Nelyubina Yulia V. , Perekalin Dmitry S.
Published: February 2022

Diene rhodium complexes are important catalysts in modern organic synthesis. Herein, we report a new approach to such complexes with the uncommon planar chirality. The synthesis is achieved by face‐selective coordination of the prochiral 2,5‐disubstituted‐1,4‐benzoquinones (R2‐Q) with rhodium precursors containing the chiral auxiliary ligand S‐salicyl‐oxazoline (S‐Salox). Such coordination leads to the formation of (R,R‐R2‐Q)Rh(S‐Salox) complexes in high yields and with exceptional diastereoselectivity (d. r.>20 : 1). Subsequent replacement of the auxiliary ligand provides various benzoquinone rhodium complexes with retention of the planar chirality. Combined theoretical and experimental studies show that due to their electron‐withdrawing nature benzoquinones bind metals stronger than the related 1,4‐cyclohexadiene, but weaker than other common diene ligands, such as cyclooctadiene.
Food protein‐induced enterocolitis syndrome: A large French multicentric experience
Authors: Lemoine Anaïs , Colas Anne‐Sophie , Le Sébastien , Delacourt Christophe , Tounian Patrick , Lezmi Guillaume
Published: February 2022

Background

Food protein‐induced enterocolitis syndrome (FPIES) is a non‐IgE‐mediated food allergy, with potential dehydration secondary to vomiting. Differences exist regarding culprit foods, and age of tolerance depending on the country of origin. We aimed at describing the characteristics of a French population of children with FPIES, and define risk factors for failure during challenge.

Methods

Data from 179 children who were referred for FPIES in two pediatric tertiary centers between 2014 and 2020 were retrospectively collected. The diagnosis of FPIES was based on international consensus guidelines. Clinical characteristics, culprit food, and age at resolution were assessed. Tolerance was defined as no adverse reaction after OFC or accidental exposure.

Results

In the 192 described FPIES, the age at first symptoms was 5.8 months old. The main offending foods were cow's milk (60.3%), hen's egg (16.2%), and fish (11.7%). Single FPIES was observed in 94.4% and multiple FPIES in 5.6% of cases. The age at resolution of FPIES was 2.2 years old, and resolution occurred later for fish than for milk (2.9 years vs. 2.0, p = 0.01). Severe acute FPIES was a risk factor for delayed resolution (RR: 3.3 [1.2–9.2]), but not IgE sensitization. Performing a food challenge within 12 months after the first reaction increased the risk of failure (OR: 2.6 [1.1–6.6]).

Conclusion

In this French cohort of children with FPIES, the main culprit foods were ubiquitous. Rice, oat, and soy were rarely or not involved. Multiple FPIES was infrequent. Our data confirmed the overall good prognosis of FPIES, the later resolution of FPIES to fish and in the case of severe acute FPIES.
Single‐Dose Pharmacokinetics and Safety of Ubrogepant in Adults With Hepatic Impairment: Results From an Open‐Label, Phase 1 Trial
Authors: Boinpally Ramesh , Lu Kaifeng
Published: February 2022

Ubrogepant is an oral calcitonin gene–related peptide receptor antagonist approved for the treatment of acute migraine headaches. Ubrogepant demonstrated efficacy and safety in 2 pivotal phase 3 studies (N = 2240) that led to its approval. Here, we report the pharmacokinetics and safety results from a phase 1 study in which participants with severe (n = 4), moderate (n = 8), or mild (n = 8) hepatic impairment and matched participants with normal hepatic function (n = 8) were administered a single dose of 100 mg of ubrogepant. Twenty‐eight participants aged 36 to 70 years were enrolled and completed the study. In participants with mild, moderate, or severe hepatic impairment, ubrogepant systemic exposure (area under the plasma concentration–time curve) increased by 7%, 52%, and 115%, respectively, compared with participants with normal hepatic function (≈1600 ng • h/mL). Peak exposure increased by 1%, 18%, and 26%, respectively, in participants with mild, moderate, or severe hepatic impairment compared to those with normal hepatic function (≈400 ng/mL). Plasma protein binding did not change significantly across groups. No dose adjustment is recommended for patients with mild or moderate hepatic impairment. Dose adjustment (50 mg) is recommended for patients with severe hepatic impairment. Single doses of ubrogepant 100 mg were safe, and all the enrolled participants, regardless of hepatic function, completed the study.
New Insights into the Redox Properties of Pyridinium Appended 1,2‐Dithienylcyclopentenes
Authors: Sicard Lambert , Lafolet Frederic , Boggio‐Pasqua Martial , Bucher Christophe , Royal Guy , Cobo Saioa
Published: February 2022

The optical and redox properties of a methyl pyridinium appended 1,2‐dithienylethene photochromic derivative have been thoroughly investigated. A complex multi‐step photo/redox mechanism is proposed for the closed isomer on the ground of spectro‐electrochemical and theoretical data. The generated compounds are not stable over the time because of chemical reactions associated to the redox processes and a new dithienylethene derivative incorporating a seven‐membered ring has been isolated and characterized.
Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies
Authors: Varghese Ann , Chaturvedi Shobhit S. , DiCastri Bella , Mehler Emerald , Fields Gregg B. , Karabencheva‐Christova Tatyana G.
Published: February 2022

The front cover artwork is provided by Dr. Karabencheva‐Christova's group at Michigan Technological University. The image shows the multilevel molecular dynamics (MD), quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics (QM) study on matrix metalloproteinase‐1 (MMP‐1). Read the full text of the Article at 10.1002/cphc.202100680.
Assessing Mitochondrial DNA Release into the Cytosol and Subsequent Activation of Innate Immune‐related Pathways in Mammalian Cells
Authors: Bryant Joshua D. , Lei Yuanjiu , VanPortfliet Jordyn J. , Winters Ashley D. , West A. Phillip
Published: February 2022

Mitochondria have emerged as key drivers of mammalian innate immune responses, functioning as signaling hubs to trigger inflammation and orchestrating metabolic switches required for phagocyte activation. Mitochondria also contain damage‐associated molecular patterns (DAMPs), molecules that share similarity with pathogen‐associated molecular patterns (PAMPs) and can engage innate immune sensors to drive inflammation. The aberrant release of mitochondrial DAMPs during cellular stress and injury is an increasingly recognized trigger of inflammatory responses in human diseases. Mitochondrial DNA (mtDNA) is a particularly potent DAMP that engages multiple innate immune sensors, although mounting evidence suggests that cytosolic mtDNA is primarily detected via the cyclic GMP‐AMP synthase–stimulator of interferon genes (cGAS‐STING) pathway. cGAS and STING are widely expressed in mammalian cells and serve as key regulators of type I interferon and cytokine expression in both infectious and inflammatory diseases. Despite growing roles for the mtDNA‐cGAS‐STING axis in human disease, assays to quantify mtDNA release into the cytosol and approaches to link mtDNA to cGAS‐STING signaling are not standardized, which increases the possibility for experimental artifacts and misinterpretation of data. Here, we present a series of protocols for assaying the release of mtDNA into the cytosol and subsequent activation of innate immune signaling in mammalian cells. We highlight genetic and pharmacological approaches to induce and inhibit mtDNA release from mitochondria. We also describe immunofluorescence microscopy and cellular fractionation assays to visualize morphological changes in mtDNA and quantify mtDNA accumulation in the cytosol. Finally, we include protocols to examine mtDNA‐dependent cGAS‐STING activation by RT‐qPCR and western blotting. These methods can be performed with standard laboratory equipment and are highly adaptable to a wide range of mammalian cell types. They will permit researchers working across the spectrum of biological and biomedical sciences to accurately and reproducibly measure cytosolic mtDNA release and resulting innate immune responses. © 2022 Wiley Periodicals LLC.

This article was corrected on 10 July 2024. See the end of the full text for details.

Basic Protocol 1: siRNA‐mediated knockdown of TFAM to induce mtDNA instability, cytosolic release, and activation of the cGAS‐STING pathway

Alternate Protocol: Pharmacological induction of mtDNA release and cGAS‐STING activation using ABT‐737 and Q‐VD‐OPH

Basic Protocol 2: Isolation and quantitation of DNA from cytosolic, mitochondrial, and nuclear fractions

Basic Protocol 3: Pharmacological inhibition of mtDNA replication and release
Considerations for Stand Establishment and Early Seedling Growth in Cotton
Authors: Snider John , Virk Simerjeet , Hand L. Campbell , Porter Wesley , Virk Gurpreet
Published: February 2022

Obtaining an adequate plant stand is an important first step towards realizing the yield potential of cotton. The stand establishment phase of crop development involves a number of different processes and can be influenced by multiple factors, some that are within the grower’s control and some that are not. The current article starts with an overview of the germination and emergence phase of cotton development with an emphasis on key developmental events. Thereafter, it focuses on recent research conducted in Georgia that addresses the effects of seed characteristics, temperature conditions, and planter settings on stand establishment. Earn 1.5 CEUs in Crop Management by reading the article and taking the quiz athttps://bit.ly/3HjwNJN. View all CEUs online athttps://web.sciencesocieties.org/Learning‐Center/Courses.
Long‐term conservation agriculture effects on corn profitability in West Tennessee
Authors: Zhou Xia Vivian , Larson James A. , Sykes Virginia R. , Ashworth Amanda J. , Allen Fred L.
Published: February 2022

Crop rotations, cover crops, and poultry litter (PL) under no tillage (NT) may improve soil health and crop yields. However, farmers’ adoption depends on whether they can generate extra profits. This study evaluated profitability of NT corn (Zea mays L.) in monoculture versus rotations with soybean (Glycine max L.) and cotton (Gossypium hirsutum L.) with or without winter covers from 2002 to 2017. Whole‐block treatments were cropping rotations with monoculture (control) versus nine, 4‐yr cropping sequences (phases) repeated four times (I, II, III, and IV). Split‐block treatments were no cover versus winter covers of PL, hairy vetch (Vicia villosa L.), and wheat (Triticum aestivum L.). Different phases influenced yields and net returns (NRs; p < .05), with the greatest NRs in Phase IV, and the lowest in Phase III. Rotation interacted with phase to influence corn yield and NRs (p < .01), with positive rotation effects occurring in Phase IV. Covers influenced yields and NRs over 16 yr (p < .01). Vetch cover resulted in the highest corn yields, whereas wheat cover was the lowest. However, no cover plots produced NRs greater than any other cover. Enhanced yields or cost savings due to reduced fertilizer from covers did not offset cover costs. Lowering costs of PL, hairy vetch, and wheat by 70, 68, and 100%, respectively, from their base values produced equivalent NRs to no cover. Thus, farmers may need subsidies to adopt conservation agriculture‐based practices.
Modelling of electrostatic ion‐scale turbulence in divertor tokamaks with the gyrokinetic code COGENT
Authors: Dorf Mikhail , Dorr Milo
Published: February 2022

Continuum gyrokinetic simulations of electrostatic ion scale turbulence are presented for the case of a diverted (single‐null) tokamak geometry. The simulation model, implemented in the finite‐volume code COGENT, solves the long‐wavelength limit of the full‐F gyrokinetic equation for ion species coupled to a vorticity equation for electrostatic potential variations, where a fluid model is used for an electron response. The model describes the ion scale ion temperature gradient (ITG) and resistive drift modes as well as neoclassical ion physics effects. Different turbulence regimes are observed depending on the plasma profiles, and the roles of a self‐consistent background electric field and an X‐point geometry are explored. In particular, increasing the pedestal density gradient and the corresponding radial electric field is demonstrated to suppress the ITG turbulence, whereas the same edge plasma background can still be destabilized by the resistive modes when the plasma resistivity is increased. The effects of X‐point geometry are assessed by comparing cross‐separatrix simulations with counterpart calculations performed for a toroidal annulus geometry. For the simulation parameters considered, similar global behaviour is observed in both cases, whereas strong local suppression of turbulence fluctuations is demonstrated near the X‐point for the case of a single‐null geometry.
The network of telecommunications cross‐layer cooperation control of wireless sensor communication network applied in smart distribution grid
Authors: Li Chunlai , Yuan Shun
Published: February 2022

With the rapid development of artificial intelligence, the intelligent distribution network can effectively improve the overall power supply quality of the distribution system. The designed distributed power has been able to achieve an optimal operation of grid connection, while the high‐speed operation of distribution equipment can achieve effective interaction with users. At present, intelligent distribution network is widely studied and applied in power industry because of its advantages of high efficiency energy and environmental protection. Because of its unique characteristics, such as low cost and fast speed, wireless sensor network is cleverly applied in intelligent distribution network. However, wireless sensor network has some defects in energy utilization due to its large range and too many nodes. This paper presents a cross‐layer cooperative control model, which can control the real time and reliability of network power data communication through stack protocol layer. This method can learn the weight value adaptively by training the influence relationship between the parameters of each protocol layer and achieve real‐time and reliable data communication by adjusting the policy and parameters of each layer in real time. This method takes the parameters of each wireless sensor node as the unit to establish the influence relationship between each other so as to realize the connection between each node of wireless sensor network and then to control the wireless sensor network as a whole to ensure the real‐time reliability of data communication in intelligent distribution network. In this paper, a lot of simulation experiments have been done, and the results show that the proposed cross‐layer cooperative control model can control the whole wireless sensor network to achieve efficient data transmission capacity of intelligent distribution wireless sensor network.
5G‐oriented non‐orthogonal multiple access technology
Authors: He Yifeng , Zhang Rui , Ye Nan
Published: February 2022

With the changes of the times and the rapid development of the mobile Internet and the Internet of Things, network communications are facing increasingly severe challenges. Due to the user exclusivity of the orthogonal resources of the existing orthogonal multiple access technology, it is difficult for the number of accessible users and the spectral efficiency to meet the application requirements of network communications. 5G technology will meet the diverse business needs of people in various scenarios such as life, work, leisure, and transportation. This paper analyzes the 5G‐oriented non‐orthogonal multiple access (NOMA) technology and designs and implements a NOMA technology simulation platform laboratory based on 5G technology. The entire simulation experiment adopts a modular design concept so that it can be modified and extended in the future network communication. In this paper, the user pairing scheme and power allocation algorithm of NOMA technology are studied in depth. For the user pairing scheme, this paper adopts two schemes: traversal search pairing scheme and grouping pairing scheme. For the same algorithm for power allocation, this paper studies two suboptimal power allocation algorithms including fixed power allocation and partial transmission power allocation. Simulation experiments show that the average cell throughput and cell edge user throughput of NOMA are slightly lower than when the traversal search pairing scheme is adopted: the average cell throughput has decreased by approximately 4%, and the cell edge user throughput has decreased by approximately 1.6%. The packet pairing scheme is a compromise between complexity and throughput performance. For different power allocation factor values, the overall throughput performance of some transmission power allocation algorithms is better than the flower pollination algorithm (FPA).
Coverage optimization algorithm based on control nodes position in wireless sensor networks
Authors: Li Qiangyi , Liu Ningzhong
Published: February 2022

Coverage is one of the basic problems that any wireless sensor network application must solve properly to achieve the expected quality of service. The communication distance of wireless sensor network nodes is limited, the initial energy is low, and many optimization objectives need to be considered in the deployment, which makes the network deployment optimization very complicated, and many problems are difficult. In essence, the deployment problem is a multidimensional nonlinear optimization problem with continuous discrete variables. In order to meet the needs of network monitoring, this article establishes a reasonable mathematical model according to the research objectives. By adjusting node position to obtain better network coverage effect, an optimization algorithm of monitoring area coverage based on control node position is proposed. By calculating the new location of nodes, more monitoring areas can be covered by the nodes. The simulation results show that the proposed algorithm can improve the coverage effect rapidly.
Frequency analysis and research of the traveling wave signal of catenary line
Authors: Wang Jian , Wang Wei
Published: February 2022

Due to the characteristic of traveling wave dispersion, the wave shape distortion is caused, and the technical difficulty of traveling wave fault location is increased. The frequency analysis and research of the traveling wave signal of the catenary line are presented, based on the wavelet theory and discrete Fourier transform. At first, the frequency information of the traveling wave signal is extracted by DFT, which turns on that the amplitude of each frequency and its distribution characteristics are clarified. Then, the analysis and verification of the traveling wave signal of the catenary line rely on the wavelet theory. The simulation results show that the frequency distribution of the catenary line is obvious, and it has great significance for the further understanding of the characteristics of the traveling wave dispersion and the use of traveling wave ranging technology.
Three‐dimensional face modeling technology based on 5G virtual reality binocular stereo vision
Authors: Zhao Hongjun , Wu Bin
Published: February 2022

5G virtual reality technology is a technology that has attracted widespread attention in the computer field in recent years. Establishing a harmonious human–computer interaction environment in the multidimensional information space is one of the development goals of information technology. Face information is important information for identifying the identity of others. Three‐dimensional information has important applications in many fields and directions of machine vision. Therefore, the three‐dimensional common face image has a significant meaning. In this paper, binocular stereo vision system is used to collect multiple pairs of facial information images. The image correction method was used to correct the collected image pairs. According to the basic criteria of stereo matching, the advantages and disadvantages of various traditional image matching methods are analyzed. On the basis of completing the image correction, the graph cut matching method is selected as the matching method, and multiple pairs of collected image pairs are matched by this method to obtain a multi‐angle face disparity map. In this paper, after studying the basic dense matching algorithm and its improved algorithm, the SAD, SD, and NC methods of fixed window are used to compare the matching cost and the performance of the adaptive weight method in face matching. This paper studies the virtual roaming technology and the basis of the related Internet of Things (IoT) 3D face graphics theory and develops a building virtual roaming system based on MFC and OpenGL. The system draws on the basic I/0 device of the computer and provides users with a friendly MFC interface and multiple viewing angles and multiple roaming mode options for virtual faces. Experimental research shows that the reconstruction accuracy of the spatial points of the reconstructed face and the actual situation are both about 1%, which shows that the IoT 3D face modeling algorithm designed in this paper has high accuracy.
Development of optical‐driven nanoneedles using SU‐8 nanofabrication
Authors: Harada Masahiko , Takao Hidekuni , Simokawa Fusao , Terao Kyohei
Published: February 2022

We developed an optical‐driven nanoneedle that is operated in aqueous solution by two focused laser beams. A nanoneedle tool consists of 2 μm‐sized structures for optical trapping and a nanoneedle having 200 nm width and 20 μm length. Nanoneedle tools are fabricated with single ultraviolet (UV) lithography of SU‐8 photoresist with highly scalable manner. We evaluated the conditions of the lithography processes: rinse, hard bake and post exposure bake (PEB) that determine the shape of the nanoneedles and recovery rate. We demonstrated the trapping of a nanoneedle tool to verify the manipulation of the position and the orientation. Nanoneedle tools have an advantage in the use of closed microchanells, which can lead to the applications including delivery and extraction of substances inside single cells and pinpoint molecular processing of biomolecules. In this paper, we report on the fabrication process of the nanoneedle tools and the demonstration of the manipulation.
Cardiac allograft vasculopathy and donor age affecting permanent pacemaker implantation after heart transplantation
Authors: Roest Stefan , Manintveld Olivier C. , Kolff Marit A.E. , Akca Ferdi , Veenis Jesse F. , Constantinescu Alina A. , Brugts Jasper J. , Birim Ozcan , van Osch‐Gevers Lennie M. , Szili‐Torok Tamas , Caliskan Kadir
Published: February 2022

Aims

The need for permanent pacemakers (PMs) after heart transplantation (HT) is increasing. The aim was to determine the influence of cardiac allograft vasculopathy (CAV), donor age, and other risk factors on PM implantations early and late after HT and its effect on survival.

Methods and results

A retrospective, single‐centre study was performed including HTs from 1984 to July 2018. Early PM was defined as PM implantation ≤90 days and late PM as PM > 90 days. Risk factors for PM and survival after PM were determined with (time‐dependent) multivariable Cox regression. Out of 720 HTs performed, 62 were excluded (55 mortalities ≤30 days and 7 retransplantations). Of the remaining 658 patients, 95 (14%) needed a PM: 38 (6%) early and 57 (9%) late during follow‐up (median 9.3 years). Early PM risk factors were donor age [hazard ratio (HR) 1.06, P < 0.001], ischaemic time (HR 1.01, P < 0.001), and in adults amiodarone use before HT (HR 2.02, P = 0.045). Late PM risk factors were donor age (HR 1.03, P = 0.024) and CAV (HR 3.59, P < 0.001). Late PM compromised survival (HR 2.05, P < 0.001), while early PM did not (HR 0.77, P = 0.41).

Conclusions

Risk factors for early PM implantation were donor age, ischaemic time, and in adults amiodarone use before HT. Late PM implantation risk factors were donor age and CAV. Late PM diminished survival, which is probably a surrogate marker for underlying progressive cardiac disease.
Kinetics‐Controlled Synthesis of {100}‐Facet‐Enclosed Gold Quasi‐Square Nanosheets with Curved Edges
Authors: Zhou Jing , Jia Qinglei , Zhang Gongguo , Zhang Haifeng , Zhao Na , Zheng Yiqun
Published: February 2022

We report the preparation of gold (Au) nanosheets with a quasi‐square morphology and curved edges (Au QSNSs). The atomic packing on the edge, corner, and central part of an individual Au QSNS is carefully observed via spherical aberration corrected high‐resolution transmission electron microscopy, and the atomic‐resolution images confirm the dominant presence of {100} facets on all these regions. Such type of two‐dimensional nanostructure is of great interest, as conventional gold nanoplates/nanoprisms are mainly enclosed with {111} facets on upper/bottom faces. The use of glutathione and octadecyltrimethylammonium chloride as the shape‐directing agent and the capping agent, respectively, at appropriate amounts, together with a dropwise addition of Au precursor at controlled rate, have been validated to be crucial for the formation of such a unique two‐dimensional nanostructure. When acting as electrocatalysts for the methanol oxidation reaction in alkaline medium, the Au QSNSs/C exhibited noticeable enhancement, compared to spherical counterparts, in terms of mass activity, reaction kinetics, and long‐term durability, demonstrating their structural advantage.
Manufacturing Approaches of New Halogenated Agrochemicals
Authors: Jeschke Peter
Published: February 2022

To ensure sustainability, the agrochemical industry is faced with enormous challenges, from provision of high‐quality food to water use, environmental impact and growing world population. The loss of agrochemicals due to consumer perception, changing grower needs and everchanging regulatory requirements is higher than the number of active ingredients being introduced into the market. Therefore, the development of new agrochemicals is essential, that can provide improved efficacy and favorable environmental profiles. In this context, introduction of halogen atoms into a molecule is an important tool to influence its physico‐chemical properties. Since 2010, around 81 % of the launched agrochemicals contain halogen atoms. This Review gives an overview of the latest generation of halogen‐containing agrochemicals introduced into the market over the past 10 years and describes manufacturing approaches of current halogen‐containing development candidates.