bluuebunny/crossref_metadata_2025 huggingface dataset:
Enantioselective Total Synthesis of [3]‐Ladderanol through Late‐Stage Organocatalytic Desymmetrization**
Authors: Ray Sayan , Mondal Subhajit , Mukherjee Santanu
Published: March 2022

Ladderane phospholipids, with their unusual ladder‐like arrangement of concatenated cyclobutane rings, represent an architecturally unique class of natural products. However, despite their fascinating structure and other necessary impetus, only a few synthetic studies of these molecules have been reported so far. We have now devised a concise total synthesis of [3]‐ladderanol, a component of natural ladderane phospholipids, using an organocatalytic enantioselective desymmetrizing formal C(sp2)−H alkylation. Our synthetic strategy rests on the late‐stage introduction of chirality, thus allowing facile access to both enantiomers of [3]‐ladderanol as well as an analogue. This is the first time a desymmetrization strategy is applied to the synthesis of [3]‐ladderanol. The scope of this desymmetrizing C(sp2)−H alkylation of meso‐cyclobutane‐fused cyclohexenediones is also presented.
Sustained Release of a Synthetic Autoinducing Peptide Mimetic Blocks Bacterial Communication and Virulence In Vivo.
Authors: West Korbin H. J. , Gahan Curran G. , Kierski Patricia R. , Calderon Diego F. , Zhao Ke , Czuprynski Charles J. , McAnulty Jonathan F. , Lynn David M. , Blackwell Helen E.
Published: March 2022

There is significant interest in approaches to the treatment of bacterial infections that block virulence without creating selective pressures that lead to resistance. Here, we report the development of an “anti‐virulence” strategy that exploits the activity of potent synthetic inhibitors of quorum sensing (QS) in Staphylococcus aureus. We identify peptide‐based inhibitors of QS that are resistant to sequestration or degradation by components of murine tissue and demonstrate that encapsulation of a lead inhibitor in degradable polymer microparticles provides materials that substantially inhibit QS in vitro. Using a murine abscess model, we show that this inhibitor attenuates methicillin‐resistant S. aureus (MRSA) skin infections in vivo, and that sustained release of the inhibitor from microparticles significantly improved outcomes compared to mice that received a single‐dose bolus. Our results present an effective and modular approach to controlling bacterial virulence in vivo and could advance the development of new strategies for skin infection control.
A Strategy Based on Aggregation‐Induced Ratiometric Emission to Differentiate Molecular Weight of Supramolecular Polymers
Authors: Liu Hui , Hu Ziqing , Zhang Hanwei , Li Qingyun , Lou Kai , Ji Xiaofan
Published: March 2022

Molecular weight has an important bearing on the properties of supramolecular polymers. However, the intuitive differentiation of the molecular weight of supramolecular polymers remains challenging. Given this situation, establishing a reliable relationship between fluorescence properties and molecular weight may be a promising strategy. Herein, we prepared a supramolecular monomerM1with aggregation‐induced ratiometric emission characteristics. With the increasingM1concentration (0.100–100 mM), the average degree of polymerization (DPDOSY) rose from 1.00 to 293. Meanwhile, the color changed from dark blue to cyan, finally to yellow‐green in the same concentration range. Hence, the intuitive relationship between DPDOSYand fluorescence colors was constructed, allowing the visual differentiation of molecular weight. Moreover, the fluorescence color could be regulated by introducing a competitive molecule to induce the depolymerization of supramolecular polymers.
Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic Batteries
Authors: Peng Xiyue , Xie Yuan , Baktash Ardeshir , Tang Jiayong , Lin Tongen , Huang Xia , Hu Yuxiang , Jia Zhongfan , Searles Debra J. , Yamauchi Yusuke , Wang Lianzhou , Luo Bin
Published: March 2022

The development of cost‐effective and long‐life rechargeable aluminium ion batteries (AIBs) shows promising prospects for sustainable energy storage applications. Here, we report a heteroatom π‐conjugated polymer featuring synergistic C=O and C=N active centres as a new cathode material in AIBs using a low‐cost AlCl3/urea electrolyte. Density functional theory (DFT) calculations reveal the fused C=N sites in the polymer not only benefit good π‐conjugation but also enhance the redox reactivity of C=O sites, which enables the polymer to accommodate four AlCl2(urea)2+ per repeating unit. By integrating the polymer with carbon nanotubes, the hybrid cathode exhibits a high discharge capacity and a long cycle life (295 mAh g−1 at 0.1 A g−1 and 85 mAh g−1 at 1 A g−1 over 4000 cycles). The achieved specific energy density of 413 Wh kg−1 outperforms most Al–organic batteries reported to date. The synergistic redox‐active sites strategy sheds light on the rational design of organic electrode materials.
Direct Amination of Benzene with Molecular Nitrogen Enabled by Plasma‐Liquid Interactions
Authors: Xu Xia , Zhao Xuyang , Tang Jie , Duan Yixiang , Tian Yong‐Hui
Published: March 2022

Nitrogen fixation is industrially realized by mass production of ammonia, the principal intermediate nitrogen source for N‐containing organic molecules. Instead, direct C−N bond formation from dinitrogen (N2) is of great interest but remains a challenge. Here, by virtue of unique plasma–liquid interactions, we developed an environmentally benign one‐pot approach to directly couple benzene and N2, two naturally abundant yet chemically inert molecules, into value‐added arylamines. Under the optimal conditions, an amination yield of 45 % was rapidly achieved, far better than the reported benzene amination efficiency using ammonia. A tentative reaction mechanism was proposed involving the long‐lived N2 (A3
) and N2+ species, as evidenced by the key intermediates detected. With a deeper mechanistic understanding and by further optimizing the plasma reactor, the realization of cost‐effective electrical amination of benzene with N2 could become reality.
Halogen⋅⋅⋅Halogen and Halogen⋅⋅⋅π Interactions Enabled Reversible Photo‐oligomerization of Conjugated Dienones: Visible Light Triggered Single‐Crystal‐to‐Single‐Crystal Transformation
Authors: Naskar Sandip , Moi Rajib , Das Indrajit , Biradha Kumar
Published: March 2022

The synthesis of reversible oligomer/polymers is fascinating both from the perspective of the fundamental understanding as well as their applications, ranging from biomedical to self‐healing smart materials. On the other hand, the reactions that occur in single‐crystal‐to‐single‐crystal (SCSC) fashion offer great details of the structure, geometry and stereochemistry of the product. However, SCSC [2+2] oligomerization is rather difficult and rare. Further, till date there are no reports for a reversible [2+2] oligomerization in SCSC fashion. In this work, four halogen‐substituted acrylic dienone molecules were deliberately designed and their ability to participate in [2+2] cycloaddition reaction in solid state was studied under visible light. Despite of having the required alignment of double bonds of dienes in all four crystal structures, they were found to exhibit variable reactivities given the differences in their weak intermolecular interactions such as halogen⋅⋅⋅halogen, halogen⋅⋅⋅π and C−H⋅⋅⋅O interactions. Notably, one of these materials exhibits reversible oligomerization in a SCSC manner.
Under‐5‐Minute Immunoblot Assays by Vortex Fluidic Device Acceleration
Authors: Sanders Emily C. , Sen Sanjana R. , Gelston Aidan A. , Santos Alicia M. , Luo Xuan , Bhuvan Keertna , Tang Derek Y. , Raston Colin L. , Weiss Gregory A.
Published: March 2022

Unlocking the potential of personalized medicine in point‐of‐care settings requires a new generation of biomarker and proteomic assays. Ideally, assays could inexpensively perform hundreds of quantitative protein measurements in parallel at the bedsides of patients. This goal greatly exceeds current capabilities. Furthermore, biomarker assays are often challenging to translate from benchtop to clinic due to difficulties achieving and assessing the necessary selectivity, sensitivity, and reproducibility. To address these challenges, we developed an efficient (<5 min), robust (comparatively lower CVs), and inexpensive (decreasing reagent use and cost by >70 %) immunoassay method. Specifically, the immunoblot membrane is dotted with the sample and then developed in a vortex fluidic device (VFD) reactor. All assay steps—blocking, binding, and washing—leverage the unique thin‐film microfluidics of the VFD. The approach can accelerate direct, indirect, and sandwich immunoblot assays. The applications demonstrated include assays relevant to both the laboratory and the clinic.
Enantioselective Tail‐to‐Head Terpene Cyclizations by Optically Active Hexameric Resorcin[4]arene Capsule Derivatives
Authors: Sokolova Daria , Piccini GiovanniMaria , Tiefenbacher Konrad
Published: March 2022

Molecular capsules enable the conversion of substrates inside a closed cavity, mimicking to some extent enzymatic catalysis. Chirality transfer from the molecular capsule onto the encapsulated substrate has been only studied in a few cases. Here we demonstrate that chirality transfer is possible inside a rather large molecular container of approximately 1400 Å3. Specifically, we present 1) the first examples of optically active hexameric resorcin[4]arene capsules, 2) their ability to enantioselectively catalyze tail‐to‐head terpene cyclizations, and 3) the surprisingly high sensitivity of enantioselectivity on the structural modifications.
Enhanced thermally conductive TPU/graphene filaments for 3D printing produced by melt compounding
Authors: Maldonado Mário P. , Pinto Gabriel M. , Costa Lidiane Cristina , Fechine Guilhermino J. M.
Published: March 2022

Conducting polymers are a potential solution to the issue of wide‐range manufacture of flexible electronics, since many polymers are suitable to advanced fabrication methods, such as fused deposition modeling (FDM) 3D printing. Therefore, it is proposed in this work a ductile thermoplastic polyurethane (TPU)/graphene nanocomposite with enhanced thermal conductivity that would be suitable for additive manufacturing processes. The nanocomposites were produced by melt compounding technique, which does not require the use of toxic solvents and is characteristic of being used by the thermoplastic industry. The filaments were then analyzed in terms of graphene dispersion, microstructural changes, mechanical behavior, and thermal conductivity. It was verified that graphene does not have a good interaction with the TPU matrix, presenting voids at the interface and forming agglomerates at higher contents. However, it was able to affect the TPU's hard segments organization, leading to a more ordered structure up to 1.0 wt%. Consequently, the thermal conductivity was enhanced up to the graphene concentration by about 14% in relation to neat TPU. Additionally, even though the system presented a poor interface, no mechanical properties were lost, that is, the composite remained ductile even after graphene insertion, which is extremely interesting for additive manufacturing processes.
Abundance and effect of health status on apparent survival of Guiana dolphins,Sotalia guianensis, in an open embayment in north‐eastern Brazil
Authors: de Meirelles Ana Carolina Oliveira , Choi‐Lima Katherine Fiedler , Vila Nova Thaís Moura Campos , Monteiro‐Filho Emygdio Leite de Araujo , Lotufo Tito Monteiro da Cruz
Published: March 2022

Guiana dolphins (Sotalia guianensis) inhabit shallow waters of the tropical western Atlantic, an area that is now mostly occupied by cities and harbours. Demographic studies have been concentrated in sheltered areas of south/south‐eastern Brazil.

This study investigated site fidelity and estimated population abundance and apparent survival of Guiana dolphins in Mucuripe Embayment (ME), on the north‐eastern Brazilian coast, through photo‐identification surveys and closed and open population mark–recapture models, from October 2009 to September 2011.

Forty‐six Guiana dolphin groups were recorded (in groups of between one and eight dolphins, with a mean ± SD of 3.49 ± 2.33) in 27 out of 40 surveys. Twenty‐five animals were photo‐identified, with eight considered to have a ‘poor health’ status. The standardized site fidelity index (SSFI) was low (0.25).

Using the programcapture, the time and heterogeneity model (Mth) resulted in a total abundance estimate of 39, with a Coefficient of Variation (CV) of 21% (95% CI 35–80%). Inprogram mark, model averaging resulted in a total abundance estimate of 33 (CV 32%, 95% CI 30–100%). Using a CV of 21%, the power to detect a decline of 50% during the study period was 0.44 and the power to detect a decline of 5% a year was 0.11. To detect these declines with a 0.90 power, 12 years of monitoring would be necessary.

The annual adult apparent survival rate was low (0.71; CV 19%; 95% CI 0.40–0.90), and differed for dolphins in ‘good’ (0.64; CV 28%, 95% CI 0.27–0.89) and ‘poor’ (0.85; CV 22%; 95% CI: 0.23–0.99) health.

The low abundance of Guiana dolphins in ME indicates that conservation actions should start immediately, such as creating a marine protected area, continuing awareness campaigns, using by‐catch reduction technologies, developing new regulations, and promoting law enforcement. Monitoring studies must continue with increased effort to reduce uncertainty in estimates and to improve the power to detect trends of decline.
Synergistic effect of compounds directed to triosephosphate isomerase, a combination to develop drug against trichomoniasis
Authors: Benítez‐Cardoza Claudia G. , Brieba Luis G. , Arroyo Rossana , Rojo‐Domínguez Arturo , Vique‐Sánchez José L.
Published: March 2022

The development of new drugs is continuous in the world; currently, saving resources (both economic ones and time) and preventing secondary effects have become a necessity for drug developers. Trichomoniasis is the most common nonviral sexually transmitted infection affecting more than 270 million people around the world. In our research group, we focussed on developing a selective and more effective drug againstTrichomonas vaginalis, and we previously reported on a compound, calledA4, which had a trichomonacidal effect. Later, we determined another compound, calledD4, which also had a trichomonacidal effect together with favorable toxicity results. BothA4andD4are directed at the enzyme triosephosphate isomerase. Thus, we made combinations between the two compounds, in which we determined a synergistic effect againstT. vaginalis, determining the IC50and the toxicity of the best relationship to obtain the trichomonacidal effect. With these results, we can propose a combination of compounds that represents a promising alternative for the development of a new therapeutic strategy against trichomoniasis.
Small Molecule Inhibitors of Nuclear Export and the Amelioration of Lupus by Modulation of Plasma Cell Generation and Survival
Authors: Rangel‐Moreno Javier , Garcia‐Hernandez Maria de la Luz , Owen Teresa , Barnard Jennifer , Becerril‐Villanueva Enrique , Kashyap Trinayan , Argueta Christian , Gamboa‐Dominguez Armando , Tamir Sharon , Landesman Yosef , Goldman Bruce I. , Ritchlin Christopher T. , Anolik Jennifer H.
Published: March 2022

Objective

To investigate the hypothesis that selective inhibitors of nuclear export (SINE compounds), recently approved for treatment of refractory plasma cell (PC) malignancy, may have potential in the treatment of lupus.

Methods

Female NZB/NZW mice were treated with the SINE compound KPT‐350 or vehicle control. Tissue specimens were harvested and analyzed by flow cytometry, using standard markers. Nephritis was monitored by determining the proteinuria score and by histologic analysis of kidney specimens. Serum anti–double‐stranded DNA (anti‐dsDNA) levels were measured by enzyme‐linked immunosorbent assay, and total numbers of IgG‐secreting and dsDNA‐specific antibody‐secreting cells were assessed by enzyme‐linked immunospot assay.

Results

KPT‐350 abrogated murine lupus nephritis at both early and late stages of the disease and rapidly impaired generation of autoreactive PCs in germinal centers (GCs). SINE compounds inhibited the production of NF‐κB–driven homeostatic chemokines by stromal cells, altering splenic B and T cell strategic positioning and significantly reducing follicular helper T cell, GC B cell, and autoreactive PC counts. KPT‐350 also decreased levels of cytokines and chemokines involved in PC survival and recruitment in the kidney of lupus‐prone mice. Exportin 1, the target of SINE compounds, was detected in GCs of human tonsils, splenic B cells of lupus patients, and multiple B cell subsets in the kidneys of patients with lupus nephritis.

Conclusion

Collectively, our results provide support for the therapeutic potential of SINE compounds, via their targeting of several molecular and cellular pathways critical in lupus pathogenesis, including autoantibody production by plasma cells.
GKC‐CI: A unifying framework for contextual norms and information governance
Authors: Shvartzshnaider Yan , Sanfilippo Madelyn Rose , Apthorpe Noah
Published: March 2022

Privacy‐enhancing technologies that incorporate a socially meaningful conception of privacy, one that meets people's expectations and is ethically defensible, need to factor in contextual privacy norms and information governance as part of their design. This involves understanding what information handling practices users deem acceptable, what factors influence users' perceptions and behaviors, and how informational norms evolve. In this paper, we present GKC‐CI, a unifying framework for examining contextual privacy norms and information governance in a given context to help structure research inquiries around these questions.
Identifying possible inaccuracy in reported birth head circumference measurements among infants in the US Zika Pregnancy and Infant Registry
Authors: Roth Nicole M. , Woodworth Kate R. , Godfred‐Cato Shana , Delaney Augustina M. , Olson Samantha M. , Nahabedian John F. , Reynolds Megan R. , Jones Abbey M. , Neelam Varsha , Valencia‐Prado Miguel , Delgado‐López Camille , Lee Ellen H. , Ellis Esther M. , Lake‐Burger Heather , Tonzel Julius L. , Higgins Cathleen A. , Chan Ronna L. , Tong Van T. , Gilboa Suzanne M. , Cragan Janet D. , Honein Margaret A. , Moore Cynthia A.
Published: March 2022

Background

The US Zika Pregnancy and Infant Registry (USZPIR) monitors infants born to mothers with confirmed or possible Zika virus infection during pregnancy. The surveillance case definition for Zika‐associated birth defects includes microcephaly based on head circumference (HC).

Methods

We assessed birth and follow‐up data from infants with birth HC measurements <3rd percentile and birthweight ≥10th percentile to determine possible misclassification of microcephaly. We developed a schema informed by literature review and expert opinion to identify possible HC measurement inaccuracy using HC growth velocity and longitudinal HC measurements between 2 and 12 months of age. Two or more HC measurements were required for assessment. Inaccuracy in birth HC measurement was suspected if growth velocity was >3 cm/month in the first 3 months or HC was consistently >25th percentile during follow‐up.

Results

Of 6,799 liveborn infants in USZPIR, 351 (5.2%) had Zika‐associated birth defects, of which 111 had birth HC measurements <3rd percentile and birthweight ≥10th percentile. Of 84/111 infants with sufficient follow‐up, 38/84 (45%) were classified as having possible inaccuracy of birth HC measurement, 19/84 (23%) had HC ≥3rd percentile on follow‐up without meeting criteria for possible inaccuracy, and 27/84 (32%) had continued HC <3rd percentile. After excluding possible inaccuracies, the proportion of infants with Zika‐associated birth defects including microcephaly decreased from 5.2% to 4.6%.

Conclusions

About one‐third of infants in USZPIR with Zika‐associated birth defects had only microcephaly, but indications of possible measurement inaccuracy were common. Implementation of this schema in longitudinal studies can reduce misclassification of microcephaly.
Children or adolescents who lost someone close during the Southeast Asia tsunami 2004 – The life as young
Authors: Adebäck Petra , Lundh Lena , Nilsson Doris
Published: March 2022

Introduction

To lose a person close suddenly, during childhood or adolescence, can be devastating. Many children or adolescents experienced the 2004 Indonesian tsunami when they were between 10‐ and 15‐years‐old. This study, from Stockholm, Sweden, describes the long‐term effects of loss, eight‐ or nine‐years post disaster, in young adulthood.

Method

A mixed‐method approach was used including statistical analyses (n = 210) and interpretative phenomenological analysis (IPA).

Results

It was shown that there was a significant difference between bereaved (n = 34) and nonbereaved (n = 176) respondents concerning, psychological distress, posttraumatic stress symptoms, and self‐rated health. Three themes were found by using the IPA approach (n = 9): Living in traumas, carrying heavy baggage, and living with change.

Conclusion

The respondents described personal feelings of grief that are not expressed in their outward appearance or behavior in their daily living. When meeting young adults that have lost someone close in childhood or adolescence, this is important to have in mind.
Predicting Ki‐67 labeling index level in early‐stage lung adenocarcinomas manifesting as ground‐glass opacity nodules using intra‐nodular and peri‐nodular radiomic features
Authors: Zhu Minghui , Yang Zhen , Zhao Wei , Wang Miaoyu , Shi Wenjia , Cheng Zhenshun , Ye Cheng , Zhu Qiang , Liu Lu , Liang Zhixin , Chen Liangan
Published: March 2022

Objectives

To explore the diagnostic value of radiomics in differentiating between lung adenocarcinomas appearing as ground‐glass opacity nodules (GGO) with high‐ and low Ki‐67 expression levels.

Materials and Methods

From January 2018 to January 2021, patients with pulmonary GGO who received lung resection were evaluated for potential enrollment. The included GGOs were then randomly divided into a training cohort and a validation cohort with a ratio of 7:3. Logistic regression (LR), decision tree (DT), support vector machines (SVM), and adaboost (AB) were applied for radiomic model construction. Area under the curve (AUC) of the receiver operating characteristic (ROC) curve was used to evaluate the diagnostic efficacy of the established models.

Results

Seven hundred and sixty‐nine patients with 769 GGOs were included in this study. Two hundred and forty‐five GGOs were confirmed to be of high Ki‐67 labeling index (LI). In the training cohort, gender, age, spiculation sign, pleural indentation sign, bubble sign, and maximum 2D diameter of the nodule were found to be significantly different between high‐ and low Ki‐67 LI groups (p < 0.05), and spiculation sign and maximum 2D diameter of the nodule were further confirmed to be risk factors for Ki‐67 LI. The radiomic model established using SVM exhibited an AUC of 0.731 in the validation cohort, which was higher than that of the clinical‐radiographic model (AUC = 0.675). Moreover, radiomic model combining both intra‐ and peri‐nodular features showed better diagnostic efficacy than using intra‐nodular features alone (AUC = 0.731 and 0.720, respectively).

Conclusions

The established radiomic model exhibited good diagnostic efficacy in differentiating between lung adenocarcinoma GGOs with high and low Ki‐67 LI, which was higher than the clinical‐radiographic model. Peri‐nodular radiomic features showed added benefits to the radiomic model. As a novel noninvasive method, radiomics have the potential to be applied in the preliminary classification of Ki‐67 expression level in lung adenocarcinoma GGOs.
Baoshanmycin and a New Furanone Derivative from a Soil‐Derived Actinomycete, Amycolatopsis sp. YNNP 00208
Authors: Qian Meng‐An , Yang Ya‐Bin , Hu Bin‐Yuan , Xu Yuan , Wang Zi‐Hang , Li Qin‐Yuan , Gao Yu‐Hong , Luo Xiao‐Dong , Zhao Li‐Xing
Published: March 2022

Actinomycetes have being regarded as a treasure reservoir of various bioactive secondary metabolites and devoted many antibiotics in clinicals. Amycolatopsis sp. YNNP 00208 was isolated from a soil sample collected in Gaoligong Mountain area, Yunnan Province, China. Chemical investigation of its fermentation broth led to a new amide, baoshanmycin (1), and a new furanone derivative, 3‐(1,3‐dihydroxybutyl)‐4‐methylfuran‐2(H)‐one (2), together with eight known compounds, including two amides (3–4), four cyclic dipeptides (5–8), and two deoxyribonucleosides (9–10). Their structures were established on basis of the 1D‐ and 2D‐NMR spectroscopic data, along with the HR‐ESI‐MS experiments. Baoshanmycin (1) showed moderate antimicrobial activities against Candida albicans, and weak activities against Staphylococcus aureus, multi‐drug resistant Staphylococcus aureus, Bacillus subtilis, Listeria monocytogenes, fluconazole‐resistant Candida albicans. Baoshanmycin (1) presented strong antioxidant activity and moderate anti‐acetylcholinesterase activity. The other compound 3‐(1,3‐dihydroxybutyl)‐4‐methylfuran‐2(H)‐one (2) and the known compounds (3–10) showed moderate antioxidant activity.
ERK1b, a 46‐kDa ERK isoform that is differentially regulated by MEK
Authors: Yung Yuval , Yao Zhong , Hanoch Tamar , Seger Rony
Published: March 2022

The extracellular signal‐regulated kinases (ERK) 1 and 2 (ERK1/2) are members of the mitogen‐activated protein kinase family. Using various stimulated rodent cells and kinase activation techniques, we identified a 46‐kDa ERK. The kinetics of activation of this ERK isoform was similar to that of ERK1 and ERK2 under most but not all circumstances. We purified this isoform from rat cells followed by its cloning. The sequence of this isoform revealed that it is an alternatively spliced version of the 44‐kDa ERK1 and therefore we termed it ERK1b. Interestingly, this isoform had a 26‐amino acid insertion between residues 340 and 341 of ERK1, which results from Intron 7 insertion to the sequence. Examining the expression pattern, we found that ERK1b is detected mainly in rat and particularly in Ras‐transformed Rat1 cells. In this cell line, ERK1b was more sensitive to extracellular stimulation than ERK1 and ERK2. Moreover, unlike ERK1 and ERK2, ERK1b had a very low binding affinity to MEK1. This low interaction led to nuclear localization of this isoform when expressed together with MEK1 under conditions in which ERK1 and ERK2 are retained in the cytoplasm. In addition, ERK1b was not coimmunoprecipitated with MEK1. We identified a new, 46‐kDa ERK alternatively spliced isoform. Our results indicate that this isoform is the major one to respond to exogenous stimulation in Ras‐transformed cells, probably due to its differential regulation by MAPK/ERK kinase and by phosphatases.
Examining the interplay of attention‐deficit/hyperactivity disorder symptoms and trait anger as contributing factors to institutional misconduct among justice‐involved adolescents
Authors: Ramsey Kathleen L. , Smith Stephanie D. , Batastini Ashley B. , Walbridge Fayth D.
Published: March 2022

Background

Although justice‐involved adolescents have a higher prevalence of trait anger and of attention‐deficit/hyperactivity disorder (ADHD) than adolescents in the general population, these factors have not been examined in relation to institutional misconduct.

Aims

We sought to examine associations between ADHD symptoms and misconduct, including aggression, disruptive behaviours and other rule‐violating behaviours among adolescents in a maximum‐security residential facility run by the Department of Juvenile Justice and to test the moderating effect of trait anger on such relationships.

Methods

Archival data collected from April 2010 to May 2011 comprising a resident cohort (N = 119) of justice‐involved adolescents (mean age = 16.74) were analysed; 30% were White and 70% Black. Self‐report measures of ADHD symptoms and trait anger were collected 2 weeks after their admission to the facility. Behavioural write‐ups of rule violations issued by facility staff during the month following the collection of these measures were coded according to the different forms of institutional misconduct.

Results

Analyses revealed that trait anger significantly predicted disruptive behaviours occurring within a 1‐month time frame following the administration of the anger measure; it also predicted all other rule violating behaviours except aggression. ADHD symptoms, by contrast, were only marginally predictive. Trait anger did not moderate this small relationship between ADHD symptoms and institutional misconduct.

Conclusions

These findings that adolescents with a chronic tendency to feel angry are more likely to violate a variety of institutional rules during the first few weeks of admission to a juvenile justice maximum‐security residential facility suggest that early intervention efforts are needed to minimise harm within the institution and to prevent these adolescents from continuing on this trajectory, which may affect the conditions of their release.
Validation of a novel staging classification system based on the extent of cardiac damage among Chinese patients after transcatheter aortic valve replacement: A single‐center retrospective study
Authors: Zhu Qifeng , Yuan Zhengdu , Xu Yeming , Chen Jun , Ng Stella , Yidilisi Abuduwufuer , Ren Kaida , Chen Yuwen , Hu Wangxing , Zhu Gangjie , Liu Feng , Dang Mengqiu , He Yuxin , Guo Yuchao , Fan Jiaqi , Liu Xianbao , Wang Jian'an
Published: March 2022

Objectives

We aimed to validate a novel staging system for aortic stenosis (AS) in a Chinese patient cohort undergoing transcatheter aortic valve replacement (TAVR), and to compare this classification system to the traditional Society of Thoracic Surgeons (STS) score for TAVR risk stratification.

Background

A novel staging system for AS based on the extent of cardiac damage upon echocardiography was recently proposed.

Methods

Patients were prospectively enrolled into the Transcatheter Aortic Valve Replacement Single Center Registry in Chinese Population and analyzed retrospectively following additional exclusion criteria. On the basis of echocardiographic findings of cardiac damage, patients were classified into five stages (0–4).

Results

A total of 427 patients were included in the current analysis. Forty‐eight deaths occurred during a median follow‐up of 730 days following TAVR. The staging system showed a statistically significant association between cardiac damage and all‐cause mortality; advanced stages were associated with higher mortality. In a multivariate‐adjusted Cox proportional hazards regression model, stage and STS scores served as risk factors for 2‐year mortality. Each increment in the staging class was associated with an increased risk of mortality (hazard ratio, 1.275; 95% confidence interval [CI], 1.052–1.545). Receiver operating characteristic (ROC) curves were plotted for stage (area under the curve, 0.644; 95% CI, 0.562–0.725) and STS score (0.661; 0.573–0.749), and with no statistically significant differences between ROC curves (p = 0.920).

Conclusions

We validated a novel staging system as a key risk factor for 2‐year mortality in a Chinese TAVR patient cohort. Efficacy for risk stratification was comparable to the STS score.
Population Balance Modeling and Multi‐Response Optimization of a Swirling‐Flow Nanobubble Generator
Authors: Syaeful Alam Hilman , Sutikno Priyono , Soelaiman Tubagus Ahmad Fauzi , Sugiarto Anto Tri
Published: March 2022

A novel model is proposed to optimize a swirling‐flow nanobubble generator utilizing a combined model of computational fluid dynamics‐population balance method (CFD‐PBM) coupled model and response surface method (RSM). The CFD‐PBM coupled model was validated by experiments based on the bubble size distribution and mass transfer. The validated model was utilized as an input for optimization using RSM. Optimization involved three factors and four target responses obtained by applying a central composite design (CCD). The adequacy of the models was evaluated by analysis of variance. Based on the optimization results, the proposed model can produce an optimized and feasible solution as a reference in the design of a nanobubble generator and can be applied further on a larger scale.
Production of Heterocyclic Primary Amines from Heterocyclic Aldehydes on Ni‐Mo/ZrO2
Authors: Bai-cheng Feng , Bao-hu Xi , Zhen-chao Zhang , Yu-hui Hou , Yan Jin , Qing-lin Yao
Published: March 2022

Ni‐Mo/ZrO2 catalysts with Ni‐Mo loadings of 10 wt % were prepared by a sol‐gel method on a ZrO2 support and subsequently applied in the simple reductive amination of heterocyclic aldehydes. Among the various catalysts prepared, Ni‐Mo/ZrO2 catalysts with Ni:Mo = 2:1 exhibited the highest metal dispersion and the smallest Ni particle size. The results showed that the catalyst has good catalytic performance, in which the yield of furfurylamine can reach 96.6 %. Initially, oximes were synthesized from the corresponding aldehydes and hydroxylamine hydrochloride, and then heterocyclic primary amines were synthesized by simple hydroreductive amination of the oximes with a 12 % methanolic solution of NH3 in the presence of an Ni‐Mo/ZrO2 catalyst. The methanolic solution of NH3 was found to be more effective in inhibiting the formation of secondary and tertiary amines.
Dynamic Control of Microbial Movement by Photoswitchable ATP Antagonists
Authors: Thayyil Sampreeth , Nishigami Yukinori , Islam Md. Jahirul , Hashim P. K. , Furuta Ken'ya , Oiwa Kazuhiro , Yu Jian , Yao Min , Nakagaki Toshiyuki , Tamaoki Nobuyuki
Published: March 2022

Adenosine triphosphate (ATP) is the energy source for various biochemical processes and biomolecular motors in living things. Development of ATP antagonists and their stimuli‐controlled actions offer a novel approach to regulate biological processes. Herein, we developed azobenzene‐based photoswitchable ATP antagonists for controlling the activity of motor proteins; cytoplasmic and axonemal dyneins. The new ATP antagonists showed reversible photoswitching of cytoplasmic dynein activity in an in vitro dynein‐microtubule system due to the trans and cis photoisomerization of their azobenzene segment. Importantly, our ATP antagonists reversibly regulated the axonemal dynein motor activity for the force generation in a demembranated model of Chlamydomonas reinhardtii. We found that the trans and cis isomers of ATP antagonists significantly differ in their affinity to the ATP binding site.
Atomic Layer Deposited Ti2O3 Thin Films
Authors: Manjunath K. , Saraswat A. , Samrat D. , Rao C. N. R.
Published: March 2022

Ti2O3 thin films have been prepared through atomic layer deposition and subjected to electrical resistivity measurements as a function of temperature. The as‐prepared films were stable for up to three weeks. In Ti2O3 thin films, the insulator‐metal transition is observed at ∼80 K, with nearly 3–4 orders of magnitude change in resistivity. The anomalous increase in electrical resistivity in the films is in accordance with the two‐band model. However, the energy interval between the bands depending on the crystallographic c/a ratio leads to a change in electrical resistivity as a function of temperature.
Structures and Electromagnetic Properties of Boron Nitride Nanoribbons Doped with Transition Metals
Authors: Ma Jiajun , Wang Yang
Published: March 2022

Inspired by the recent discovery of the Ti‐doped BN nanocages, here we report the design of novel boron nitride (BN) nanoribbons (BNNRs) doped with fourth‐row transition metals (Sc−Cu) and the prediction of their structural and electromagnetic properties. First‐principles calculations and ab initio molecular dynamics simulations show that Ti‐doped BNNR possesses both thermodynamic and kinetic stability at high temperatures for synthesis of BN materials. Metal doping may make the nonmagnetic pristine BNNR ferromagnetic or antiferromagnetic, depending on the metal. The doping with all considered metals reduces substantially the band gap of pristine BNNR. For example, Sc‐doped BNNR is ferromagnetic with an indirect band gap of 1.18 eV, while V‐doped nanoribbon is antiferromagnetic with a direct gap of 2.50 eV. Remarkably, the carrier mobility in both materials is significantly enhanced compared to the pristine BNNR. Our findings suggest that doping with different metals may endow BNNRs with versatile electronic and magnetic properties.
Three‐dimensional quantification of the relationship between the upper first molar and maxillary sinus
Authors: Regnstrand Tobias , Ezeldeen Mostafa , Shujaat Sohaib , Ayidh Alqahtani Khalid , Benchimol Daniel , Jacobs Reinhilde
Published: March 2022

Objectives

The present study aims to describe the relationship between upper first molar roots and maxillary sinus, for the first time with a truly three‐dimensional approach.

Methods

From a retrospective cone‐beam computed tomography (CBCT) sample of the upper jaw, a total of 105 upper first molars in contact with maxillary sinus from 74 patients (male 24, female 50, mean age 42) were included in the present study. Segmentation of the upper first molar and maxillary sinus in CBCT was performed utilizing a semiautomatic livewire segmentation tool in MeVisLab v.3.1. The segmentations were analyzed in 3‐matic Medical 20.0 for root volume and the contact area between upper first molar roots and maxillary sinus. Analysis of variance test was applied to detect statistically significant differences between the roots.

Results

The palatal root had the largest contact area with maxillary sinus 27.8 ± 21.4 mm2 (20% of the root area) followed by the mesiobuccal 20.5 ± 17.9 mm2 (17% of the root area) and distobuccal root 13.7 ± 12 mm2 (14% of the root area). A significant difference in the contact area of the different roots of the upper first molar was seen.

Conclusions

This study showed that 70% of the upper first molars were in contact with the maxillary sinus. The palatal root had on average a fifth of its root surface in contact with the sinus, while for mesiobuccal this was a sixth of its root surface and distobuccal roots this was somewhat less. The true 3D relationship could help to better understand maxillary anatomy in relation to occurring pathologies and treatment planning in this area.
Diagnostic performance of nuclear matrix protein 22 and urine cytology for bladder cancer: A meta‐analysis
Authors: Wang Jie , Zhao Xi , Jiang Xiao Lei , Lu Dong , Yuan Qiang , Li Jiabing
Published: March 2022

Purpose

To compare and analyze the diagnostic efficacy of nuclear matrix protein 22 (NMP22) and urine cytology (UC) in the diagnosis of bladder cancer.

Methods

Search the Chinese and English studies on NMP22 and urinary cytology in the diagnosis of bladder tumors published between 1999 and June, and conduct quality evaluation, data extraction and analysis.

Results

A total of 397 related articles were retrieved, and 12 articles were finally included after screening, including 2456 subjects. The heterogeneity test shows that there is no discernible threshold effect. Perform meta‐analysis according to the random effects model. The results showed that the total sensitivity of NMP22 and UC were 0.79 (95% CI [0.73, 0.84]) (CI: Confidence interval), 0.55 (95% CI [0.41, 0.69]), and the total specificity 0.59 (95% CI [0.46], respectively, 0.71), 0.91 (95% CI (0.81, 0.96]), +LR 1.9 (95% CI [1.4, 2.6]) (+LR: positive likelihood ration), 5.9 (95% CI [3.3, 10.6]), −LR 0.35 (−LR: negative likelihood ration), respectively (95% CI [0.27, 0.47]), 0.49 (95% CI [0.38, 0.64]), diagnostic odds ratios 5 (95% CI [3, 9]), 12 (95% CI [7, 21]). The area under the summary receiver operating characteristics curve (AUC) was 0.79 (95% CI [0.75, 0.82]) and 0.81 (95% CI [0.77, 0.84]), respectively.

Conclusions

NMP22 has moderate diagnostic efficiency for bladder cancer. Its sensitivity is greater than UC, but its specificity is significantly lower than that of UC. At present, it cannot replace traditional cystoscopy and UC, but it can be combined to detect bladder tumors. It plays a major role in screening, postoperative monitoring and follow‐up.
Stable isotopes reveal seasonal dietary responses to agroforestry in a venomous mammal, the Hispaniolan solenodon (Solenodon paradoxus)
Authors: Mychajliw Alexis M. , Almonte Juan N. , Martinez Pedro A. , Hadly Elizabeth A.
Published: March 2022

While trends in tropical deforestation are alarming, conservation biologists are increasingly recognizing the potential for species survival in human‐modified landscapes. Identifying the factors underlying such persistence, however, requires basic ecological knowledge of a species’ resource use. Here, we generate such data to guide conservation of an understudied venomous mammal, the Hispaniolan solenodon (Solenodon paradoxus), that occupies a mosaic landscape of agriculture and forest fragments in the western Dominican Republic. Using feces collected in both wet and dry seasons, we found significant differences in the stable isotope values of carbon (δ13C) between pasture (−24.63 ± 2.31‰, Las Mercedes) and agroforestry (−28.07 ± 2.10‰, Mencia). Solenodon populations in agricultural areas occupied wider isotopic niche spaces, which may be explained by more diverse resource within these patches or individuals combining resources across habitats. We detected elevated δ15N values in the dry season of pasture areas (8.22 ± 2.30‰) as compared to the wet season (5.26 ± 2.44‰) and overall narrower isotopic niche widths in the dry season, suggestive of the impacts of aridity on foraging behavior. Our work highlights the importance of considering a more nuanced view of variations in ‘modified’ or “agricultural” landscapes as compared with strictly protected national parks. We suggest that seasonal differences in foraging should be considered as they intersect with landscape modification by landowners for maintaining resources for focal consumers. This work adds to a growing body of literature highlighting that fecal stable isotopes are a non‐invasive and cost‐effective monitoring tool that is particularly well‐suited for cryptic small mammal species, ensuring actionable and evidenced‐based conservation practices in the tropic's rapidly changing landscapes.
The factors that favor adaptive habitat construction versus non‐adaptive environmental conditioning
Authors: Scheiner Samuel M. , Barfield Michael , Holt Robert D.
Published: March 2022

Adaptive habitat construction is a process by which individuals alter their environment so as to increase their (inclusive) fitness. Such alterations are a subset of the myriad ways that individuals condition their environment. We present an individual‐based model of habitat construction to explore what factors might favor selection when the benefits of environmental alterations are shared by individuals of the same species. Our results confirm the predictions of inclusive fitness and group selection theory and expectations based on previous models that construction will be more favored when its benefits are more likely to be directed to self or near kin. We found that temporal variation had no effect on the evolution of construction. For spatial heterogeneity, construction was disfavored when the spatial pattern of movement did not match the spatial pattern of environmental heterogeneity, especially when there was spatial heterogeneity in the optimal amount of construction. Under those conditions, very strong selection was necessary to favor genetic differentiation of construction propensity among demes. We put forth a constitutive theory for the evolution of adaptive habitat construction that unifies our model with previous verbal and quantitative models into a formal conceptual framework.
Arboreal camera trapping sheds light on seed dispersal of the world’s only epiphytic gymnosperm:Zamia pseudoparasitica
Authors: Monteza‐Moreno Claudio M. , Rodriguez‐Castro Lilisbeth , Castillo‐Caballero Pedro L. , Toribio Edgar , Saltonstall Kristin
Published: March 2022

Epiphytic lifestyles have evolved independently in ecologically, morphologically, and taxonomically diverse plant species. Although this adaptation is widespread among angiosperms, it is only known to have arisen in a single gymnosperm species,Zamia pseudoparasitica(Cycadophyta).Zamia pseudoparasiticais endemic to the mountains of Western Panama, and little is known about the ecology of this unusual cycad. Here, we provide the first report of a potential seed disperser ofZ.pseudoparasitica. Between late October 2019 and March 2020, we conducted arboreal camera trapping at three sites along the Talamanca Cordillera in Western Panama, yielding an accumulated survey effort of 271 camera days. Weekly direct observations were also performed using handheld binoculars at one site. Arboreal camera trapping revealed at least seven mammal species that visit this epiphytic cycad. At all three sites, the Northern olingo (Bassaricyon gabbii) was seen visiting individuals ofZ.pseudoparasiticarepeatedly, both while cones were closed and after they had opened. We estimated the time‐varying intensity of the visits throughout our sampling and used mixed models to compare the length of visits when cones were closed versus when they were open. Both duration and time‐varying intensity of visits increased after cones had opened and we documented Northern olingo removing and carrying away seeds. We also observed predation by the yellow‐eared toucanet (Selenidera spectabilis) which picked and destroyed matureZ.pseudoparasiticaseeds. These results suggest that the Northern olingo could be an important seed dispersal agent for this rare epiphytic gymnosperm.
Phytoplankton functional composition determines limitation by nutrients and grazers across a lake productivity gradient
Authors: Schulhof Marika A. , Van de Waal Dedmer B. , Declerck Steven A. J. , Shurin Jonathan B.
Published: March 2022

Functional trade‐offs among ecologically important traits govern the diversity of communities and changes in species composition along environmental gradients. A trade‐off between predator defense and resource competitive ability has been invoked as a mechanism that may maintain diversity in lake phytoplankton. Trade‐offs may promote diversity in communities where grazing‐ and resource‐limited taxa coexist, which determines the extent to which communities are resource‐ or consumer‐controlled. In addition, changes in temperature may alter nutrient demands and grazing pressure, changing the balance between the two regulating factors. Our study aims to understand whether a trade‐off between grazer vulnerability and nutrient limitation promotes coexistence of phytoplankton functional groups in communities that differ in trophic status, and how this trade‐off may shift with warming. We conducted multifactorial experiments manipulating grazing, nutrients, and temperature in phytoplankton communities from three Dutch lakes varying in trophic status, and used a trait‐based approach to classify functional groups based on grazing susceptibility. We found no associations between susceptibility to grazing and response to nutrient additions in any of the communities or temperature regimes, indicating that a competition–defense trade‐off is unlikely to explain diversity within the tested communities. Instead, we observed a tendency toward both a higher grazing resistance and weaker nutrient limitation along with a shift in the functional composition of phytoplankton in communities across a gradient from low to high productivity.