bluuebunny/crossref_metadata_2025 huggingface dataset:
Designing Solid Electrolyte Interfaces towards Homogeneous Na Deposition: Theoretical Guidelines for Electrolyte Additives and Superior High‐Rate Cycling Stability
Authors: Wang Lifeng , Ren Naiqing , Yao Yu , Yang Hai , Jiang Wei , He Zixu , Jiang Yang , Jiao Shuhong , Song Li , Wu Xiaojun , Wu Zhong‐Shuai , Yu Yan
Published: December 2022

Metallic Na is a promising metal anode for large‐scale energy storage. Nevertheless, unstable solid electrolyte interphase (SEI) and uncontrollable Na dendrite growth lead to disastrous short circuit and poor cycle life. Through phase field and ab initio molecular dynamics simulation, we first predict that the sodium bromide (NaBr) with the lowest Na ion diffusion energy barrier among sodium halogen compounds (NaX, X=F, Cl, Br, I) is the ideal SEI composition to induce the spherical Na deposition for suppressing dendrite growth. Then, 1,2‐dibromobenzene (1,2‐DBB) additive is introduced into the common fluoroethylene carbonate‐based carbonate electrolyte (the corresponding SEI has high mechanical stability) to construct a desirable NaBr‐rich stable SEI layer. When the Na||Na3V2(PO4)3cell utilizes the electrolyte with 1,2‐DBB additive, an extraordinary capacity retention of 94 % is achieved after 2000 cycles at a high rate of 10 C. This study provides a design philosophy for dendrite‐free Na metal anode and can be expanded to other metal anodes.
A Deep‐Blue‐Emitting Heteroatom‐Doped MR‐TADF Nonacene for High‐Performance Organic Light‐Emitting Diodes**
Authors: Madayanad Suresh Subeesh , Zhang Le , Hall David , Si Changfeng , Ricci Gaetano , Matulaitis Tomas , Slawin Alexandra M. Z. , Warriner Stuart , Olivier Yoann , Samuel Ifor D. W. , Zysman‐Colman Eli
Published: December 2022

We present a p‐ and n‐doped nonacene compound, NOBNacene, that represents a rare example of a linearly extended ladder‐type multiresonant thermally activated delayed fluorescence (MR‐TADF) emitter. This compound shows efficient narrow deep blue emission, with a λPL of 410 nm, full width at half maximum, FWHM, of 38 nm, photoluminescence quantum yield, ΦPL of 71 %, and a delayed lifetime, τd of 1.18 ms in 1.5 wt % TSPO1 thin film. The organic light‐emitting diode (OLED) using this compound as the emitter shows a comparable electroluminescence spectrum peaked at 409 nm (FWHM=37 nm) and a maximum external quantum efficiency (EQEmax) of 8.5 % at Commission Internationale de l’Éclairage (CIE) coordinates of (0.173, 0.055). The EQEmax values were increased to 11.2 % at 3 wt % doping of the emitter within the emissive layer of the device. At this concentration, the electroluminescence spectrum broadened slightly, leading to CIE coordinates of (0.176, 0.068).
Correlating Oxidation State and Surface Ligand Motifs with the Selectivity of CO2 Photoreduction to C2 Products
Authors: Ni Baoxin , Zhang Guiru , Wang Huiming , Min Yulin , Jiang Kun , Li Hexing
Published: December 2022

The design for non‐Cu‐based catalysts with the function of producing C2+ products requires systematic knowledge of the intrinsic connection between the surface state as well as the catalytic activity and selectivity. In this work, photochemical in situ spectral surface characterization techniques combined with the first principle calculations (DFT) were applied to investigate the relationships between the composition of surface states, coordinated motifs, and catalytic selectivity of a titanium oxynitride catalyst. When the catalyst mediates CO2 photoreduction, C2 product selectivity is positively correlated with the surface Ti2+/Ti3+ ratio and the surface oxidation state is regulated and controlled by coordinated motifs of N−Ti‐O/V[O], which can reduce the potential dimerization energy barriers of *CO−CO* and promote spontaneous formation of the subsequent *CO−CH2* intermediate. This phenomenon provides a new perspective for the design of heterogeneous catalysts for photoreduction of CO2 into useful products.
Fluorine‐Containing Passivation Layer via Surface Chelation for Inorganic Perovskite Solar Cells
Authors: Zhang Hao , Xiang Wanchun , Zuo Xuejiao , Gu Xiaojing , Zhang Shiang , Du Yachao , Wang Zhiteng , Liu Yali , Wu Haifeng , Wang Peijun , Cui Qingyue , Su Hang , Tian Qingwen , Liu Shengzhong (Frank)
Published: December 2022

Minimizing surface defect is vital to further improve power conversion efficiency (PCE) and stability of inorganic perovskite solar cells (PSCs). Herein, we designed a passivator trifluoroacetamidine (TFA) to suppress CsPbI3−xBrxfilm defects. The amidine group of TFA can strongly chelate onto the perovskite surface to suppress the iodide vacancy, strengthened by additional hydrogen bonds. Moreover, three fluorine atoms allow strong intermolecular connection via intermolecular hydrogen bonds, thus constructing a robust shield against moisture. The TFA‐treated PSCs exhibit remarkably suppressed recombination, yielding the record PCEs of 21.35 % and 17.21 % for 0.09 cm2and 1.0 cm2device areas, both of which are the highest for all‐inorganic PSCs so far. The device also achieves a PCE of 39.78 % under indoor illumination, the highest for all‐inorganic indoor photovoltaic devices. Furthermore, TFA greatly improves device ambient stability by preserving 93 % of the initial PCE after 960 h.
Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs
Authors: Hammerschmidt Stefan J. , Huber Simon , Braun Niklas J. , Lander Marc , Steinmetzer Torsten , Kersten Christian
Published: December 2022

Cyclization of small molecules is a widely applied strategy in drug design for ligand optimization to improve affinity, as it eliminates the putative need for structural preorganization of the ligand before binding, or to improve pharmacokinetic properties. In this work, we provide a deeper insight into the binding thermodynamics of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its linear analogs. Characterization of the thermodynamic binding profiles by isothermal titration calorimetry experiments revealed an unfavorable entropy of the macrocycle compared to the open linear reference ligands. Molecular dynamic simulations and X‐ray crystal structure analysis indicated only minor benefits from macrocyclization to fixate a favorable conformation, while linear ligands retained some flexibility even in the protein‐bound complex structure, possibly explaining the initially surprising effect of a higher entropic penalty for the macrocyclic ligand.
Effects consistent with behavioral contrast during a multiple schedule for discrimination training on mands for attention
Authors: Bayaruga Marylou , Pyles David A.
Published: December 2022

This study used a multiple schedule to assess the effects of an S+ or S‐ in the absence of rules on excessive mand rates with three school‐aged children with disabilities and assessed possible contrast effects occurring in conjunction with the intervention. Each of the three participants was exposed to the presence or absence of an S‐ (black baseball cap). When it was worn, mand approach rates decreased for all three participants; conversely, mand rates increased to twice the baseline rates when the experimenter was not wearing the black baseball cap. Generalization probes conducted for one of the three caregivers showed similar changes when the caregiver wore the cap. Results suggest that effects consistent with positive behavioral contrast occurred with all participants.
Structure–activity relationship of gallic acid from Paeonia lactiflora and its synthetic analogs against human breast cancer cells
Authors: Yoon Goo , Shim Jung‐Hyun , Kim Hyun Jung , Kim Su‐Nam , Bae Min‐Suk , Cho Seung‐Sik , Kim Eunae
Published: December 2022

High‐performance liquid chromatography analysis of the ethyl acetate fraction of Paeonia lactiflora roots led to the detection of five compounds: gallic acid (GA) (1), methyl gallate (2), albiflorin (4), paeoniflorin (5), and pentagalloylglucose (6). Among them, pentagalloylglucose (6) showed cytotoxicity against human breast cancer cells MCF‐7 and MDA‐MB‐231 in vitro with IC50 values of 20.1 and 14.4 μM, respectively. Through the structure–activity relationship of GA, which is an important backbone of pentagalloylglucose, we found that its three hydroxy groups were important for its cytotoxicity, and that the 3‐O‐methylgallic acid structure was only effective against a triple‐negative breast cancer cell line. Furthermore, drug efficacy was confirmed by increasing its lipid affinity through the synthesis of various ester derivatives of gallic acid.
Fortifying angiogenic efficacy of conditioned media using phototoxic‐free blue light for wound healing
Authors: Kim Sung‐Won , Im Gwang‐Bum , Kim Yeong Hwan , Bhang Suk Ho
Published: December 2022

We used a blue organic light‐emitting diode (bOLED) to increase the paracrine factors secreted from human adipose‐derived stem cells (hADSCs) for producing conditioned medium (CM). Our results showed that while the bOLED irradiation promotes a mild‐dose reactive oxygen generation that enhances the angiogenic paracrine secretion of hADSCs, it does not induce phototoxicity. The bOLED enhances paracrine factors via a cell‐signaling mechanism involving hypoxia‐inducible factor 1 alpha. This study demonstrated that the CM resulting from bOLED treatment shows improved therapeutic effects on mouse wound‐healing models. This method contributes to overcoming the barriers to stem‐cell therapies, including the toxicity and low yields from other methods such as nanoparticles, synthetic polymers, and even cell‐derived vesicles.
KMT2A‐D pathogenicity, prevalence, and variation according to a population database
Authors: Larson Jenna K. , Hunter‐Schlichting DeVon N. , Crowgey Erin L. , Mills Lauren J. , Druley Todd E. , Marcotte Erin L.
Published: December 2022

Introduction

The KMT2 family of genes is essential epigenetic regulators promoting gene expression. The gene family contains three subgroups, each with two paralogues: KMT2A and KMT2B; KMT2C and KMT2D; KMT2F and KMT2G. KMT2A‐D are among the most frequent somatically altered genes in several different cancer types. Somatic KMT2A rearrangements are well‐characterized in infant leukemia (IL), and growing evidence supports the role of additional family members (KMT2B, KMT2C, and KMT2D) in leukemogenesis. Enrichment of rare heterozygous frameshift variants in KMT2A and C has been reported in acute myeloid leukemia (AML), IL, and solid tumors. Currently, the non‐synonymous variation, prevalence, and penetrance of these four genes are unknown.

Methods

This study determined the prevalence of pathogenic/likely pathogenic (P/LP) germline KMT2A‐D variants in a cancer‐free adult population from the Genome Aggregation Database (gnomAD). Two methods of variant interpretation were utilized: a manual genomic variant interpretation and an automated ACMG pipeline.

Results

The ACMG pipeline identified considerably fewer P/LP variants (n = 89) compared to the manual method (n = 660) in all 4 genes. Consequently, the total P/LP prevalence and allele frequency (AF) were higher in the manual method (1:112, AF = 4.46E‐03) than in ACMG (1:832, AF = 6.01E‐04). Multiple ancestry‐exclusive P/LP variants were identified along with an increased frequency in males compared to females. Many of these variants identified in this population database are also associated with severe juvenile conditions.

Conclusion

These data demonstrate that putatively functional germline variation in these developmentally important genes is more common than previously appreciated and identification in cancer‐free adults may indicate incomplete penetrance for many of these variants. Future research should examine a genetic predisposing role in IL and other pediatric cancers.
More than words: Rethinking sustainability communications through neuroscientific methods
Authors: Ćirović Marko , Dimitriadis Nikolaos , Janić Milan , Alevizou Panayiota , Dimitriadis Neda Jovanović
Published: December 2022

In the era when the overarching problem of climate change, threatening the entire humanity and all life on earth, demands actions and behavioural change from all of the societal agents, including governments, organizations, companies and individuals, the world fails to achieve unity on the matter of existence of the problem, cause of the problem and on the solution of the problem. Since the scientific consensus on climate change is achieved, this article tries to examine why it is so hard to convey the message of needed behavioural change. The neuromarketing study presented in this article focuses on marketing communications that try to convey the message that would lead to the consumers' mental, emotional and behavioural change. Effectiveness of the branded environmental videos was evaluated utilizing the neuroscience approach. Electroencephalogram and an eye‐tracking device were used to register the implicit brain reactions of the study participants viewing the branded videos. For comparison reasons, the branded videos selected for the study use two different approaches for conveying the message. The first approach relies on narrative, words and logic, whilst the second one appeals primarily to emotions. The aim of the study was to answer the question whether the words are enough or is there more to it?
Potential Therapeutic Agents on Alzheimer's Disease through Molecular Docking and Molecular Dynamics Simulation Study of Plant‐Based Compounds
Authors: Borah Kasmika , Bora Kangkana , Mallik Saurav , Zhao Zhongming
Published: December 2022

Globally Alzheimer's disease (AD) is a highly complex, heterogeneous, and multifactorial neurological disease. AD is categorized clinically through a steady loss in memory and progressive decline of cognitive function. So far, there is no effective cure is available for the treatment of AD. Here, we identified Plant‐based compounds (PBCs) from seven therapeutic plants through pharmacophore and pharmacokinetics approaches. Subsequently, we retrieved 65 AD associated proteins by Text Mining approach .We observed the interactions between 39 PBCs with 65 AD‐associated targets by using molecular docking. Further, we carried out Molecular dynamics simulation analysis to predict the steady binding of top drug‐target complexes. The entire MD simulation results analysis was evidence that seven drug‐target complexes consistently interacted during the in silico experiment. The top complexes were the target CHLE interacted with 2 PBCs (Pseudojujubogenin and Anahygrine), target VDAC1 interacted with Withanolide R, target THOP1 interacted with Withaolide R, target AOFB interacted with 2 PBCs (Nardostachysin and Viscosalactone B), and target ACHE interacted with the drug (12‐Deoxywithastramonolide). These PBCs have stably and flexibly interacted at the protein‘s active site region. Our results suggest that these PBCs and targets are potential therapeutic candidates for molecular development in AD.
RAB5C, a new mRNA binding target of HuR, regulates breast cancer cell proliferation
Authors: Wang Zhenzhen , Li Fang , Zhang Huahua , Hu Xiaoyi , Chen Yanke , Huang Chen
Published: December 2022

The posttranscriptional control of gene expression mediated by RNA‐binding proteins (RBPs) is essential to determine tumor cell fate. HuR is an RBP with increased expression in various cancer types. This study aimed to clarify the regulatory mechanism of HuR's contribution to breast cancer (BC) cell proliferation by inducing RAB5C expression. First, we analyzed the expression level of HuR and RAB5C in BC tissues and cell lines by immunohistochemistry, qRT‐PCR, and western blot. Next, to further investigate the effect of HuR on RAB5C expression, we used short hairpin RNAs (shRNAs) to silence endogenous HuR expression in BC cell lines MCF7 and MDA‐MB‐231. The binding site of RAB5C mRNA and HuR was confirmed by RNA immunoprecipitation. Finally, the function of RAB5C was investigated using flow cytometry, colony formation, and MTT assays. We found that the expression of HuR and RAB5C was significantly upregulated in BC tissues and MCF‐7 and MDA‐MB231 cell lines. Importantly, RAB5C mRNA stability was increased through binding of HuR to its 3′UTR. Inhibition of HuR expression using shRNA decreased RAB5C mRNA, suggesting that HuR plays a role in regulating RAB5C expression level. In addition, suppression of RAB5C expression reduced BC cell growth. These results suggest RAB5C functions as an oncogene in BC cells, HuR promoted BC cell survival by facilitating RAB5C expression. Our findings suggest that HuR and RAB5C play important roles in BC cell survival.
Incorporating economic analysis in interventional cardiology research
Authors: O'Byrne Michael L. , Wilensky Robert , Glatz Andrew C.
Published: December 2022

Evaluative research in interventional cardiology has focused on clinical and technical outcomes. Inclusion of economic data can enhance evaluative research by quantifying the relative economic burden incurred by different therapies. When combined with clinical outcomes, cost data can provide a measure of value (e.g., marginal cost‐effectiveness). In some select situations, cost data can also be used as surrogates for complexity of care and morbidity. In this narrative review, we aim to provide a framework for the application of cost data in clinical trials and observational research, detailing how to incorporate this kind of data into interventional cardiology research.
Generalized fixed drug eruption following Pfizer‐BioNtech COVID‐19 vaccination
Authors: Kabir Soodeh , Feit Eric J. , Heilman Edward R.
Published: December 2022

Fixed drug eruption is a cutaneous drug reaction which recurs at the same site when the individual is exposed to the causative drug, characterized by single or multiple round sharply demarcated erythematous‐to‐violaceous patches. Here, we report a patient with generalized non‐bullous fixed drug eruption following mRNA‐based Pfizer‐BioNTech COVID‐19 vaccine.
Olefin Metathesis under Spatial Confinement and Continuous Flow: Investigation of Isomeric Side Reactions with a Grubbs–Hoveyda Type Catalyst
Authors: Böth André , Roider Thomas , Ziegler Felix , Xie Xiulan , Buchmeiser Michael R. , Tallarek Ulrich
Published: December 2022

A 2nd‐generation Grubbs–Hoveyda type catalyst was immobilized inside mesoporous silica and used in the ring‐closing metathesis (RCM) of an α,ω‐diene to a large macro(mono)cycle. The goal was to investigate the relationship between substrate concentration, reaction time, and overall experiment time on the rate of isomerization under spatial (mesopore space) confinement with continuous‐flow microreactors. RCM reactions are commonly monitored by 1H NMR analysis, however, elucidation of reaction mixtures yielding large rings with a difference of only a single carbon atom remains difficult, because NMR signals are sometimes indistinguishable. In this work, an analytical platform with on‐line separation and detection of UV‐active substrate as well as (side) products by high‐performance liquid chromatography and a UV/Vis‐diode array detector (DAD) plus mass spectrometry served as enabling technology to quantify yield and selectivity under the respective reaction conditions. Using this setup, competitive reaction equilibria and isomerization reactions, in particular, could be resolved. Identification and quantification of relevant compounds of the reaction scheme under spatial confinement became possible despite chemical similarity. Kinetic data revealed that isomerization increases with higher substrate concentrations (up to 250 mM) and longer reaction times (from 1.2 to 18.6 min), but shows a distinct decline for prolonged overall experiment times (up to ∼250 min).
IR/UV Double Resonance Study of the 2‐Phenylallyl Radical and its Pyrolysis Products
Authors: Preitschopf Tobias , Sturm Floriane , Stroganova Iuliia , Lemmens Alexander K. , Rijs Anouk M. , Fischer Ingo
Published: December 2022

Isolated 2‐phenylallyl radicals (2‐PA), generated by pyrolysis from a nitrite precursor, have been investigated by IR/UV ion dip spectroscopy using free electron laser radiation. 2‐PA is a resonance‐stabilized radical that is considered to be involved in the formation of polycyclic aromatic hydrocarbons (PAH) in combustion, but also in interstellar space. The radical is identified based on its gas‐phase IR spectrum. Furthermore, a number of bimolecular reaction products are identified, showing that the self‐reaction as well as reactions with unimolecular decomposition products of 2‐PA form several PAH efficiently. Possible mechanisms are discussed and the chemistry of 2‐PA is compared with the one of the related 2‐methylallyl and phenylpropargyl radicals.
Direct Aroylation of Olefins through a Cobalt/Photoredox‐Catalyzed Decarboxylative and Dehydrogenative Coupling with α‐Oxo Acids
Authors: Davies Alex M. , Hernandez Rafael D. , Tunge Jon A.
Published: December 2022

Invited for the cover of this issue is the group of Jon Tunge at the University of Kansas. The image depicts the direct cross‐coupling of α‐oxo acids and styrenes through the release of CO2 and H2 gas in a metallaphotoredox process. Read the full text of the article at 10.1002/chem.202202781.
Pollutants in Waste Wood
Authors: Thorwarth Harald , Endriss Felix , Scheuber Matthias
Published: December 2022

Gelegentlich wird angenommen, dass Holz einer endlosen Nutzungskaskade zugeführt werden kann. Diese Annahme wird basierend auf Daten von neuen und gebrauchten Spanplatten sowie Altholz der Kategorie AI–AIII untersucht. Die Ergebnisse zeigen basierend auf 468 Datensätzen, dass Schadstoffkonzentrationen in Altholz in einem weiten Bereich schwanken. Je nach Probenkollektiv wären 46 % bis 69 % der betrachteten Proben nach geltender AltholzV nicht für eine stoffliche Nutzung geeignet. Es muss davon ausgegangen werden, dass Altholz bereits nach einmaliger Nutzung Schadstoffe in relevanten Konzentrationen enthält und deshalb erst nach Vorliegen der Ergebnisse einer analytischen Überprüfung dem Stoffkreislauf ein weiteres Mal zugeführt werden kann. Eine organoleptische Untersuchung ist hierfür nicht ausreichend.
Lithium recovery from pretreated α‐spodumene residue through acid leaching at ambient temperature
Authors: Zhu Yue , Zhang Dekai , Qiu Shengbo , Liu Chenglin , Yu Jianguo
Published: December 2022

A novel alkaline hydrothermal approach for low‐temperature conversion of α‐spodumene into Li2SiO3 residue was proposed, providing a promising method for extracting lithium from α‐spodumene as a pretreatment process. This work proposed a systematic investigation for extracting lithium from the residue by acid leaching and preparing lithium carbonate. The reaction feasibility between Li2SiO3 and acids (HCl and H2SO4) was first evaluated through thermodynamic calculation. Compared with the leaching effects of hydrochloric acid and sulphuric acid, sulphuric acid is the preferred leaching agent due to its higher extraction efficiency for lithium and lower acid consumption. Lithium extraction efficiency from the residue achieved up to 87.48% under the following optimized conditions: 0.75 mol/L H2SO4, 0.4 times the theoretical amount of acid, 10 min, 30°C, and 100 rpm. Based on the optimized conditions, the lithium‐containing solution was concentrated through three consecutive cycles of leaching, which obtained a concentration of 17.78 g/L for lithium. The leaching solution was purified by CaO‐Na2CO3, resulting in the removal rates of SiO32−, Mg2+, and Ca2+ of 84.22%, 95.51%, and 90.55%, respectively. Finally, the solution was precipitated with sodium carbonate to prepare Li2CO3. This paper facilitates the development of an economical process for efficient lithium extraction from spodumene at low temperatures.
Self‐assembly at Liquid‐Liquid Interface: A New SERS Substrate for Analytical Sensing†
Authors: Zhao Yue , Shi Lu , Tian Yang , Zhang Limin
Published: December 2022

Comprehensive Summary

As a highly powerful and sensitive tool, surface enhanced Raman scattering (SERS) has attracted extensive attention in quantification analysis. However, the strong dependence of SERS signal on the detailed local nanostructure makes quantitative SERS analysis suffer from difficulties in controlling the uniformity of nanoscale hot spots and the inefficiency of placing the targeted molecules in prefabricated hot spots. Thus, the development of uniform SERS substrates is becoming an urgent demand to impulse SERS technique for the application in practical systems. The self‐assembly of nanoparticles (NPs) at the liquid‐liquid interface (LLI) provides a molecular sharp and defect‐free focal plane, in which the stable controlling of nanogap sizes and the feasible location of analytes can be virtually guaranteed, leading to greatly enhanced sensitivity and reproducibility of detections. On the other hand, the benefit of liquid/liquid systems allows for either hydrophilic, hydrophobic molecules to be captured and detected individually or simultaneously. Based on these advantages of the new SERS substrate, a variety of self‐assembled NP arrays at the LLI have been developed for multiphase analyte detection. Herein, we review recently developed strategies to induce NPs self‐assembly at the LLI and discuss the latest research progress on sensitive and reliable SERS analysis in practical applications. Finally, some perspectives are highlighted in the further development of the efficient methods to enhance the plasmonic properties and more practical SERS sensors for practical applications.
Examining the psychometric properties of the Swedish version of Clinical Outcomes in Routine Evaluation–Outcome Measure (CORE‐OM) in a clinical sample using classical test theory and item response theory
Authors: Åström Elisabeth , Sundström Anna E. , Lyrén Per‐Erik
Published: December 2022

The aim of this study was to examine the psychometric properties of the Swedish version of the Clinical Outcomes in Routine Evaluation–Outcome Measure (CORE‐OM) using classical test theory and item response theory (IRT). The CORE‐OM is a commonly used 34‐item self‐report instrument measuring psychological problems/distress covering four domains: subjective well‐being, problems/symptoms, functioning and risk. Despite its broad application, only a few studies have used IRT to examine the psychometric properties, and the properties of the Swedish version have only been examined in one initial study. The present study included 1,011 clients with mild to moderate symptoms of distress, applying for psychotherapy at an outpatient training clinic in Sweden. Clients' responses were subjected to classical item analyses as well as IRT (Rasch) analysis using the partial credit model. The classical analyses demonstrated high levels of internal consistency and acceptable levels of item discrimination for the majority of the items, although lower for some items, particularly in the Risk domain. IRT analyses showed that there was a rather good match between item and respondent locations and the measurement precision was high. Disordered step and average measures for some of the items in the Risk domain indicate that these items were problematic from a psychometric point of view and only applicable for a minority of the participants. Differential item functioning for gender in some of the items suggests that they might need to be revised to minimise potential gender bias.
Hydrogenolysis‐Isomerization of Waste Polyolefin Plastics to Multibranched Liquid Alkanes
Authors: Du Bowen , Chen Xiao , Ling Yu , Niu Tiantian , Guan Weixiang , Meng Jipeng , Hu Haoquan , Tsang Chi‐Wing , Liang Changhai
Published: December 2022

Upcycling of waste polyolefin plastics still meets with economic and technological challenges in practice. In this work, the catalytic hydrogenolysis‐isomerization of nondegradable polyolefin plastic waste to high‐value gasoline, diesel, and light lubricants with highly branched chain is achieved over a bifunctional Rh/Nb2O5 catalyst under relatively mild conditions. Owing to the high efficiency of metallic Rh active sites, the dehydrogenation/hydrogenation of long carbon chains of polyolefins is enhanced. With the assistance of strong Brønsted acidity of Nb2O5, the cleavage of C−C bonds, skeletal rearrangements, as well as the β‐scission of alkylcarbenium ions occurs, which boosts the one‐step solvent‐free catalytic hydrogenolysis and isomerization of polyolefins. In addition, the preliminary economic analysis shows that this technology is economical, feasible, and has great potential in accelerating the transition to a circular plastics economy for sustainable development.
Ecdysterone: Possible sources of origin in urine
Authors: Kwiatkowska Dorota , Grucza Krzysztof , Chajewska Katarzyna , Konarski Patryk , Wojtkowiak Katarzyna , Drapała Aleksandra , Wicka Mariola
Published: December 2022

Ecdysterone (crustecdysone; beta‐ecdysone; 20‐hydroxyecdysone) is a naturally occurring steroid hormone belonging to the ecdysteroid class. The presented study investigated the possible concentration range of ecdysterone in urine after consumption of various preparations of spinach, drinking tea (made from Rhapoiticum Carthamoides) and topical use of a cream containing Cyanotis arachnoides. It is very important to establish reference ranges reflecting concentrations compatible with dietary habits and common uses of care products. The data obtained in the research may be used in the interpretation of results of routine analyses. In addition, elimination time and observed concentrations provided by the studies conducted by the Polish Anti‐Doping Laboratory can be used by WADA. In the case of spinach, peak elimination occurred within the first few hours, followed by a rapid decline. As for the other plants, instead of clear peak concentrations, gradual elimination was observed. Individual differences were observed between volunteers depending on route of administration. Differences in ecdysterone elimination following ingestion of spinach‐based and other plant products were observed too. The highest observed ecdysterone concentration was related to the paste consumption, and it was 691 ng/ml. Finally, our findings were compared with the data collected for the samples routinely tested as part of the monitoring program. During 2.5 years, the presence of ecdysterone was confirmed in as many as 507 samples out of 11 191 total samples tested. The concentration range was very wide, from 1 ng/ml (which is the LOD for this method in the Polish Anti‐Doping Laboratory) to over 2000 ng/ml.
Empirical evidence for effects of invasive American Bullfrogs on occurrence of native amphibians and emerging pathogens
Authors: Hossack Blake R. , Oja Emily B. , Owens Audrey K. , Hall David , Cobos Cassidi , Crawford Catherine L. , Goldberg Caren S. , Hedwall Shaula , Howell Paige E. , Lemos‐Espinal Julio A. , MacVean Susan K. , McCaffery Magnus , Mosley Cody , Muths Erin , Sigafus Brent H. , Sredl Michael J. , Rorabaugh James C.
Published: December 2022

Invasive species and emerging infectious diseases are two of the greatest threats to biodiversity. American Bullfrogs (Rana [Lithobates] catesbeiana), which have been introduced to many parts of the world, are often linked with declines in native amphibians via predation and the spread of emerging pathogens such as amphibian chytrid fungus (Batrachochytrium dendrobatidis [Bd]) and ranaviruses. Although many studies have investigated the potential role of bullfrogs in the decline of native amphibians, analyses that account for shared habitat affinities and imperfect detection have found limited support for clear effects. Similarly, the role of bullfrogs in shaping the patch‐level distribution of pathogens is unclear. We used eDNA methods to sample 233 sites in the southwestern USA and Sonora, Mexico (2016–2018) to estimate how the presence of bullfrogs affects the occurrence of four native amphibians, Bd, and ranaviruses. Based on two‐species, dominant‐subordinate occupancy models fitted in a Bayesian context, federally threatened Chiricahua Leopard Frogs (Rana chiricahuensis) and Western Tiger Salamanders (Ambystoma mavortium) were eight times (32% vs. 4%) and two times (36% vs. 18%), respectively, less likely to occur at sites where bullfrogs occurred. Evidence for the negative effects of bullfrogs on Lowland Leopard Frogs (Rana yavapaiensis) and Northern Leopard Frogs (Rana pipiens) was less clear, possibly because of smaller numbers of sites where these native species still occurred and because bullfrogs often occur at lower densities in streams, the primary habitat for Lowland Leopard Frogs. At the community level, Bd was most likely to occur where bullfrogs co‐occurred with native amphibians, which could increase the risk to native species. Ranaviruses were estimated to occur at 33% of bullfrog‐only sites, 10% of sites where bullfrogs and native amphibians co‐occurred, and only 3% of sites where only native amphibians occurred. Of the 85 sites where we did not detect any of the five target amphibian species, we also did not detect Bd or ranaviruses; this suggests other hosts do not drive the distribution of these pathogens in our study area. Our results provide landscape‐scale evidence that bullfrogs reduce the occurrence of native amphibians and increase the occurrence of pathogens, information that can clarify risks and aid the prioritization of conservation actions.
Growth hormone treatment does not augment the anti‐diabetic effects of liraglutide in UCD‐T2DM rats
Authors: Swarbrick Michael M. , Cox Chad L. , Graham James L. , Knudsen Lotte B. , Stanhope Kimber , Raun Kirsten , Havel Peter J.
Published: December 2022

Introduction

The incretin hormone glucagon‐like peptide‐1 (GLP‐1) slows gastric emptying, increases satiety and enhances insulin secretion. GLP‐1 receptor agonists, such as liraglutide, are used therapeutically in humans to improve glycaemic control and delay the onset of type 2 diabetes mellitus (T2DM). In UCD‐T2DM rats, a model of polygenic obesity and insulin resistance, we have previously reported that daily liraglutide administration delayed diabetes onset by >4 months. Growth hormone (GH) may exert anti‐diabetic effects, including increasing β‐cell mass and insulin secretion, while disrupting GH signalling in mice reduces both the size and number of pancreatic islets. We therefore hypothesized that GH supplementation would augment liraglutide's anti‐diabetic effects.

Methods

Male UCD‐T2DM rats were treated daily with GH (0.3 mg/kg) and/or liraglutide (0.2 mg/kg) from 2 months of age. Control (vehicle) and food‐restricted (with food intake matched to liraglutide‐treated rats) groups were also studied. The effects of treatment on diabetes onset and weight gain were assessed, as well as measures of glucose tolerance, lipids and islet morphology.

Results

Liraglutide treatment significantly reduced food intake and body weight and improved glucose tolerance and insulin sensitivity, relative to controls. After 4.5 months, none of the liraglutide‐treated rats had developed T2DM (overall p = .019). Liraglutide‐treated rats also displayed lower fasting triglyceride (TG) concentrations and lower hepatic TG content, compared to control rats. Islet morphology was improved in liraglutide‐treated rats, with significantly increased pancreatic insulin content (p < .05 vs. controls). Although GH treatment tended to increase body weight (and gastrocnemius muscle weight), there were no obvious effects on diabetes onset or other diabetes‐related outcomes.

Conclusion

GH supplementation did not augment the anti‐diabetic effects of liraglutide.
Controlling potential far‐field brine leakage from CO2 storage formations using deep extraction wells: Numerical and experimental testing
Authors: Askar Ahmad H. , Illangasekare Tissa H.
Published: December 2022

Injecting CO2 into deep geologic formations for storage purposes induces large pressure build‐up that risks caprock integrity. Naturally occurring faults or pressure‐induced fractures in the caprock can act as conductive leakage pathways resulting in potential contamination of the overlying shallow aquifers. Previous studies explored using brine extraction to manage such elevated pressure in the storage formation. In this paper, we extended the use of this technique to control far‐field brine leakage. Extraction wells are placed in the storage zone to reduce the leakage flow through reversing the pressure‐gradient locally, while minimizing the brine concentrations in the escaped‐fraction by utilizing the dilution capacity of the overlying formations. The developed approach incorporated the Genetic Algorithm with transport model simulations to optimize well‐placements and extraction‐rates. An approximately 8m long intermediate‐scale tank designed to mimic brine leakage migration in the field was used to validate this approach as field data are not available. We further evaluated the approach numerically using a hypothetical leakage scenario at the Vedder storage formation in San‐Joaquin basin to assess its practicality for field implementation. The results showed that storage zone heterogeneity and fractures’ permeabilities can significantly affect the optimum locations and pumping rates of the extraction wells. Brine leakage can be controlled by extracting a native‐brine volume less than 50% of the injected CO2 volume. The target concentrations in the shallow aquifer determines the extraction rates required to control a leakage through a fracture or a buried thrust fault. The study is useful to develop remediation strategies for carbon storage operations. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Novel noninvasive identification of patient‐specific epileptic networks in focal epilepsies: Linking single‐photon emission computed tomography perfusion during seizures with resting‐state magnetoencephalography dynamics
Authors: Krishnan Balu , Tousseyn Simon , Wang Zhong Irene , Murakami Hiroatsu , Wu Guiyun , Burgess Richard , Iasemidis Leonidas , Najm Imad , Alexopoulos Andreas V.
Published: December 2022

Single‐photon emission computed tomography (SPECT) during seizures and magnetoencephalography (MEG) during the interictal state are noninvasive modalities employed in the localization of the epileptogenic zone in patients with drug‐resistant focal epilepsy (DRFE). The present study aims to investigate whether there exists a preferentially high MEG functional connectivity (FC) among those regions of the brain that exhibit hyperperfusion or hypoperfusion during seizures. We studied MEG and SPECT data in 30 consecutive DRFE patients who had resective epilepsy surgery. We parcellated each ictal perfusion map into 200 regions of interest (ROIs) and generated ROI time series using source modeling of MEG data. FC between ROIs was quantified using coherence and phase‐locking value. We defined a generalized linear model to relate the connectivity of each ROI, ictal perfusion z score, and distance between ROIs. We compared the coefficients relating perfusion z score to FC of each ROI and estimated the connectivity within and between resected and unresected ROIs. We found that perfusion z scores were strongly correlated with the FC of hyper‐, and separately, hypoperfused ROIs across patients. High interictal connectivity was observed between hyperperfused brain regions inside and outside the resected area. High connectivity was also observed between regions of ictal hypoperfusion. Importantly, the ictally hypoperfused regions had a low interictal connectivity to regions that became hyperperfused during seizures. We conclude that brain regions exhibiting hyperperfusion during seizures highlight a preferentially connected interictal network, whereas regions of ictal hypoperfusion highlight a separate, discrete and interconnected, interictal network.
Brain network dynamics in people with visual snow syndrome
Authors: Strik Myrte , Clough Meaghan , Solly Emma J. , Glarin Rebecca , White Owen B. , Kolbe Scott C. , Fielding Joanne
Published: December 2022

Visual snow syndrome (VSS) is a neurological disorder characterized by a range of continuous visual disturbances. Little is known about the functional pathological mechanisms underlying VSS and their effect on brain network topology, studied using high‐resolution resting‐state (RS) 7 T MRI. Forty VSS patients and 60 healthy controls underwent RS MRI. Functional connectivity matrices were calculated, and global efficiency (network integration), modularity (network segregation), local efficiency (LE, connectedness neighbors) and eigenvector centrality (significance node in network) were derived using a dynamic approach (temporal fluctuations during acquisition). Network measures were compared between groups, with regions of significant difference correlated with known aberrant ocular motor VSS metrics (shortened latencies and higher number of inhibitory errors) in VSS patients. Lastly, nodal co‐modularity, a binary measure of node pairs belonging to the same module, was studied. VSS patients had lower modularity, supramarginal centrality and LE dynamics of multiple (sub)cortical regions, centered around occipital and parietal lobules. In VSS patients, lateral occipital cortex LE dynamics correlated positively with shortened prosaccade latencies (p = .041, r = .353). In VSS patients, occipital, parietal, and motor nodes belonged more often to the same module and demonstrated lower nodal co‐modularity with temporal and frontal regions. This study revealed reduced dynamic variation in modularity and local efficiency strength in the VSS brain, suggesting that brain network dynamics are less variable in terms of segregation and local clustering. Further investigation of these changes could inform our understanding of the pathogenesis of the disorder and potentially lead to treatment strategies.
Impact of prolonged flooding in Pakistan: In the middle of unexpected health emergency
Authors: Iqbal Amna , Sheikh Ayesha , Ali Eman , Islam Zarmina
Published: December 2022

Floods are the most frequent disaster risk factor, and they have significantly increased morbidity and mortality globally. However, the health effects of a specific flood depend on the surrounding circumstances and the current situation in Pakistan indicates that it is leading to a serious health crisis. The immediate health effects of flooding include waterborne and vector‐transmitted diseases. The evacuation of patients, loss of medical personnel, and destruction of critical medical supplies and equipment are also overburdening the Pakistani healthcare system. The indirect effects of flooding include infected wounds, poisoning, poor mental health, infectious infections, and famine. Long‐term consequences could include starvation, chronic illness, disability, poor mental health, and diseases linked to poverty. In this letter to the editor, we discussed the challenges, efforts, and recommendations that can facilitate the system.
Recurrent giant neobladder calculus extrusion after bladder exstrophy repair
Authors: Guimarães Thiago , Alves Fátima , Pinheiro Hugo , Campos Pinheiro Luís
Published: December 2022

Introduction

Patients with bladder exstrophy subjected to reconstructive surgeries are at risk of developing urinary calculus.

Case presentation

We report the case of a 29‐year‐old male patient with bladder exstrophy who presented with a recurrent episode of extrusion of calculus through the neobladder and anterior abdominal wall. Calculus removal and reconstructive repair of the neobladder and abdominal wall were performed in 2010. Nine years following the procedure, the patient returned with new large neobladder calculus extrusion.

Conclusion

Recurrence of large calculus should be seen as the new paradigm for the importance of close follow‐up in bladder exstrophy patients.
Increased Advanced Glycation Endproducts, Stiffness, and Hardness in Iliac Crest Bone From Postmenopausal Women With Type 2 Diabetes Mellitus on Insulin
Authors: Lekkala Sashank , Sacher Sara E , Taylor Erik A , Williams Rebecca M , Moseley Kendall F , Donnelly Eve
Published: December 2022

Individuals with type 2 diabetes mellitus (T2DM) have a greater risk of bone fracture compared with those with normal glucose tolerance (NGT). In contrast, individuals with impaired glucose tolerance (IGT) have a lower or similar risk of fracture. Our objective was to understand how progressive glycemic derangement affects advanced glycation endproduct (AGE) content, composition, and mechanical properties of iliac bone from postmenopausal women with NGT (n = 35, age = 65 ± 7 years, HbA1c = 5.8% ± 0.3%), IGT (n = 26, age = 64 ± 5 years, HbA1c = 6.0% ± 0.4%), and T2DM on insulin (n = 25, age = 64 ± 6 years, HbA1c = 9.1% ± 2.2%). AGEs were assessed in all samples using high-performance liquid chromatography to measure pentosidine and in NGT/T2DM samples using multiphoton microscopy to spatially resolve the density of fluorescent AGEs (fAGEs). A subset of samples (n = 14 NGT, n = 14 T2DM) was analyzed with nanoindentation and Raman microscopy. Bone tissue from the T2DM group had greater concentrations of (i) pentosidine versus IGT (cortical +24%, p = 0.087; trabecular +35%, p = 0.007) and versus NGT (cortical +40%, p = 0.003; trabecular +35%, p = 0.004) and (ii) fAGE cross-link density versus NGT (cortical +71%, p < 0.001; trabecular +44%, p < 0.001). Bone pentosidine content in the IGT group was lower than in the T2DM group and did not differ from the NGT group, indicating that the greater AGE content observed in T2DM occurs with progressive diabetes. Individuals with T2DM on metformin had lower cortical bone pentosidine compared with individuals not on metformin (−35%, p = 0.017). Cortical bone from the T2DM group was stiffer (+9%, p = 0.021) and harder (+8%, p = 0.039) versus the NGT group. Bone tissue AGEs, which embrittle bone, increased with worsening glycemic control assessed by HbA1c (Pen: R2 = 0.28, p < 0.001; fAGE density: R2 = 0.30, p < 0.001). These relationships suggest a potential mechanism by which bone fragility may increase despite greater tissue stiffness and hardness in individuals with T2DM; our results suggest that it occurs in the transition from IGT to overt T2DM. © 2022 American Society for Bone and Mineral Research (ASBMR).
Microbial source tracking and land use associations for antibiotic resistance genes in private wells influenced by human and livestock fecal sources
Authors: Burch Tucker R. , Stokdyk Joel P. , Firnstahl Aaron D. , Kieke Burney A. , Cook Rachel M. , Opelt Sarah A. , Spencer Susan K. , Durso Lisa M. , Borchardt Mark A.
Published: December 2022

Antimicrobial resistance is a growing public health problem that requires an integrated approach among human, agricultural, and environmental sectors. However, few studies address all three components simultaneously. We investigated the occurrence of five antibiotic resistance genes (ARGs) and the class 1 integron gene (intI1) in private wells drawing water from a vulnerable aquifer influenced by residential septic systems and land‐applied dairy manure. Samples (n = 138) were collected across four seasons from a randomized sample of private wells in Kewaunee County, Wisconsin. Measurements of ARGs and intI1 were related to microbial source tracking (MST) markers specific to human and bovine feces; they were also related to 54 risk factors for contamination representing land use, rainfall, hydrogeology, and well construction. ARGs and intI1 occurred in 5%–40% of samples depending on target. Detection frequencies for ARGs and intI1 were lowest in the absence of human and bovine MST markers (1%–30%), highest when co‐occurring with human and bovine markers together (11%–78%), and intermediate when co‐occurring with just one type of MST marker (4%–46%). Gene targets were associated with septic system density more often than agricultural land, potentially because of the variable presence of manure on the landscape. Determining ARG prevalence in a rural setting with mixed land use allowed an assessment of the relative contribution of human and bovine fecal sources. Because fecal sources co‐occurred with ARGs at similar rates, interventions intended to reduce ARG occurrence may be most effective if both sources are considered.