bluuebunny/crossref_metadata_2025 huggingface dataset:
Kinetics of diffusion‐influenced multisite phosphorylation with enzyme reactivation
Authors: Gopich Irina V. , Szabo Attila
Published: March 2023

The simplest way to account for the influence of diffusion on the kinetics of multisite phosphorylation is to modify the rate constants in the conventional rate equations of chemical kinetics. We have previously shown that this is not enough and new transitions between the reactants must also be introduced. Here we extend our results by considering enzymes that are inactive after modifying the substrate and need time to become active again. This generalization leads to a surprising result. The introduction of enzyme reactivation results in a diffusion‐modified kinetic scheme with a new transition that has a negative rate constant. The reason for this is that mapping non‐Markovian rate equations onto Markovian ones with time‐independent rate constants is not a good approximation at short times. We then developed a non‐Markovian theory that involves memory kernels instead of rate constants. This theory is now valid at short times, but is more challenging to use. As an example, the diffusion‐modified kinetic scheme with new connections was used to calculate kinetics of double phosphorylation and steady‐state response in a phosphorylation‐dephosphorylation cycle. We have reproduced the loss of bistability in the phosphorylation‐dephosphorylation cycle when the enzyme reactivation time decreases, which was obtained by particle‐based computer simulations.
Study on the opening effect of eucalyptol on the blood–brain barrier and its brain pharmacokinetics
Authors: Dao Ligema , Jiang Li , Chen Yuanyuan , Ayisa  , Sa Chula
Published: March 2023

Eucalyptol, a natural epoxide monoterpene, was found in rat brain tissue after oral administration in our previous study, suggesting that the compound may possess the ability to pass the blood–brain barrier (BBB). However, a few studies have demonstrated that eucalyptol does penetrate the BBB. The aims of this study were to determine the opening effect of eucalyptol on the BBB in rats, to establish and validate a method for the determination of eucalyptol in brain tissue, and to reveal its brain pharmacokinetic characteristics. The opening effect of BBB was assessed by dye extravasation and ultrastructural alterations, and the quantitative method of eucalyptol in rat brain tissue was established and confirmed. For pharmacokinetic research, rat brain samples were taken at 0.05, 0.167, 0.5, 1, 2.5, 5, 10, and 15 h after administration. There was a significantly higher extravasation of Evans blue from the brain parenchyma of rats in the medium‐dose eucalyptol group (P < 0.01), which was associated with the BBB's altered ultrastructure. It is suggested that eucalyptol increased the permeability of the BBB. After oral administration, eucalyptol was quickly absorbed by the brain. This study provides valuable information on eucalyptol use to treat illnesses of the central nervous system.
Methylenetetrahydrofolate reductase polymorphisms and elevated plasma homocysteine levels in small vessel disease
Authors: Chen Lei , Wu Chunhua , Dong Zhaoying , Cao Shanshan , Ren Ning , Yan Xiaoyan
Published: March 2023

Introduction

Despite its public health importance, the causes of small vessel disease (SVD) are not fully understood. The presence of SVD in monogenic twins indicates the involvement of genetic factors in the pathogenesis of this disease. The purpose of this study was to investigate the association of methylenetetrahydrofolate reductase (MTHFR) gene polymorphisms with SVD risk.

Methods

Patients with SVD and matched controls were recruited from Tianjin Union Medical Center and Tianjin Huanhu Hospital. Clinical and laboratory data were collected. Plasma total homocysteine (tHcy) and folate levels were measured, and MTHFR rs1801133 (C677T) and rs1801131 (A1298C) single‐nucleotide polymorphisms were genotyped. We analyzed potential associations among SVD and MTHFR polymorphisms, tHcy, and folate levels.

Results

Patients with SVD displayed significantly decreased plasma folate levels (Z = –3.537, p < .001) and increased tHcy levels (Z = 4.910, p < .001) compared with controls. Significantly different plasma tHcy levels were associated with rs1801133 (χ2 = 6.664, p = .036), and post hoc analysis indicated higher plasma tHcy levels in individuals carrying the TT allele compared with levels in those carrying the TC allele (Z = 2.478, p = .013). No significant differences in tHcy levels were observed for rs1801131 alleles. The genotype and allele frequencies of rs1801133 were different between SVD and control groups (χ2 = 9.378, p = .009). There was no significant difference in distributions of rs1801131 genotypes between the two groups, and multivariable logistic regression analysis showed that rs1801131 and rs1801133 were not significantly associated with the risk of SVD.

Conclusions

Our study indicates that an elevated plasma tHcy level is independently associated with the development of SVD. Although MTHFR rs1801133 is linked to increased plasma homocysteine (Hcy) levels, it is not a risk factor for SVD. rs1801131 is not related to Hcy levels or SVD risk.
[3+2] Cycloaddition Synthesis of New Piperazine‐Linked Bis(chromene) Hybrids Possessing Pyrazole Units as Potential Acetylcholinesterase Inhibitors
Authors: Mekky Ahmed E. M. , Sanad Sherif M. H.
Published: March 2023

Two series of piperazine‐linked bis(chromene) hybrids that are attached to pyrazole units were synthesized in the current study. Both series are attached to an acyl unit at pyrazole‐C3, with one series attached to an acetyl unit and the other to an ethoxycarbonyl unit. A [3+2] cycloaddition protocol was conducted to produce the target hybrids with good yields by reacting the appropriate hydrazonoyl chlorides with chromene‐based bis(enaminone) in dioxane containing triethylamine at reflux for 4 h. New hybrids were tested for acetylcholinesterase inhibitory activity at concentrations of 15 and 25 μM, as well as their ability to quench 2,2‐diphenylpicrylhydrazyl (DPPH) free radicals at a concentration of 25 μg/mL. In general, the inhibitory activity is related to the electronic properties of the para‐substituent that is attached to the arene unit at pyrazole‐N1. Furthermore, the acyl unit attached to pyrazole‐C3 has a significant effect on the new hybrids′ inhibitory activity. At the previous concentrations, the (3‐acetylpyrazole)‐linked hybrid attached to p‐NO2 units demonstrated the best acetylcholinesterase inhibitory activity, with inhibition percentages of 79.7 and 90.2. Furthermore, the previous hybrid demonstrated the most effective DPPH inhibitory activity, with an inhibition percentage of 87.5.
Code‐switching 101: Black women counselor educators’ personal and professional identity development
Authors: Crumb Loni , Cartwright Angie D. , Hammonds Dominique S. , Harris Janeé Avent
Published: March 2023

The perceptions of personal and professional identity development from four Black women counselor educators were examined through a collaborative autoethnography methodology. Themes identified include (a) intentionality of code‐switching, (b) inextricable identities, (c) fight for and with authenticity, and (d) mutual development of personal and professional identities.
Gold Nanoparticles‐Titania Heterojunction: Photoelectrochemical Detection of Ciprofloxacin
Authors: Fumagalli Daniele , Comis Silvia , Pifferi Valentina , Falciola Luigi
Published: March 2023

Invited for this issue's Front Cover is the group of Electroanalytical Chemistry of Prof. Luigi Falciola. The Cover Feature shows the photoelectrochemical sensor prepared by covering AuNPs with a thin layer of TiO2. The obtained hybrid material, which exploits synergistically the properties of its components, was used to monitor ciprofloxacin, exhibiting a response only once irradiated. Good performances were obtained using a low‐power LED. Such discovery may pave the way for future in situ applications in environmental monitoring. Read the full text of the Research Article at 10.1002/celc.202201136.
Antimony Oxides‐Based Anode Materials for Alkali Metal‐Ion Storage
Authors: Zhou Xiaozhong , Deng Hongling , Wang Aixia , Song Jinxu , Lei Ziqiang , Xu Yuxi
Published: March 2023

With the increasing demand for renewable energy, alkali metal‐ion (lithium/sodium/potassium‐ion) batteries play more and more important roles in the field of static storage and electrical vehicle industry. Novel anode materials with high reversible capacity, safety and long‐term cycling stability are desiderated to meet the ever‐growing demand for alkali metal‐ion batteries with high electrochemical performance. Antimony oxides (SbxOy) show electrochemical reaction activity with all of lithium, sodium and potassium, and are expected to be promising anode materials for alkali metal‐ion storage due to their high theoretical capacities, appropriate operating potential and excellent safety properties. This review is devoted to overview the research progress on reaction mechanism and improvements in electrochemical performance of antimony oxides for alkali metal‐ion storage, and look forward to their further prospects.
Oxidized Bridged Carbenoids as Viable Intermediates in a Fe(III) Catalyzed C−H Insertion Reaction
Authors: Balhara Reena , Das Mayurika , Jindal Garima
Published: March 2023

Fe catalyzed carbene insertion reactions present an efficient route for direct C−H functionalization. The use of Fe(III) in place of the widely used Fe(II) presents several benefits. However, the mechanistic understanding of Fe(III) severely lags behind Fe(II) complexes. One of the major unsolved issues relates to the formation of bridged versus terminal metallocarbenes. Even though the oxidized bridged carbenoid complexes have been isolated and found to be thermodynamically more stable, they are generally considered a dead end for the catalytic cycle. In the current report, the formation and the subsequent reactions of the bridged carbenoid complexes for an Fe(TPP)Cl catalyzed C(sp2)−H insertion are investigated. Using DFT calculations, it is observed that both mono and bis oxidized bridged carbenoid complexes can participate in the catalytic cycle. Importantly, for the first time, a mechanistic pathway showing that these bridged species are not a dead end in Fe catalysis is presented. Their existence in other reactions might be more prevalent than what is currently believed. The current study will have important implications in utilizing Fe(III) complexes for other insertion reactions, especially for heme containing enzymes which necessarily need to be carried out under anaerobic/reducing conditions.
π‐Extension of the Tribenzotriquinacene Framework: Efficient Vinylene and Arylene Bay Bridging Based on a New C3‐Symmetric Key Derivative
Authors: Wang Huai‐Zhen , Hung Tsz‐Yu , Ip Ho‐Wang , Lee Man‐Kit , Sun Xiao‐Qing , Kuck Dietmar , Chow Hak‐Fun
Published: March 2023

1,5,9‐Tribromo‐2,3,6,7,10,11‐hexamethoxy‐4b1‐methyltribenzotriquinacene, a C3‐symmetric TBTQ derivative, can be prepared conveniently and with high regioselectivity from readily available starting materials. It is a versatile key compound for the synthesis of other chiral 1,5,9‐trifunctionalized TBTQ derivatives and π‐extended congeners in which the bays of the TBTQ skeleton are bridged by vinylene and 1,2‐arylene units. X‐ray crystal structure analysis and UV‐vis spectroscopy show that vinylene bay‐bridging enables better π‐conjugation with the arene rings of the TBTQ core than 1,2‐arylene bay‐bridging does.
Optimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP‐TEAD Protein‐Protein Interaction Inhibitors
Authors: Sellner Holger , Chapeau Emilie , Furet Pascal , Voegtle Markus , Salem Bahaa , Le Douget Mickaël , Bordas Vincent , Groell Jean‐Marc , Le Goff Anne‐Laure , Rouzet Christine , Wietlisbach Thomas , Zimmermann Thomas , McKenna Joseph , Brocklehurst Cara E. , Chène Patrick , Wartmann Markus , Scheufler Clemens , Kallen Joerg , Williams Gareth , Harlfinger Stephanie , Traebert Martin , Dumotier Bérengère M. , Schmelzle Tobias , Soldermann Nicolas
Published: March 2023

The inhibition of the YAP‐TEAD protein‐protein interaction constitutes a promising therapeutic approach for the treatment of cancers linked to the dysregulation of the Hippo signaling pathway. The identification of a class of small molecules which potently inhibit the YAP‐TEAD interaction by binding tightly to the Ω‐loop pocket of TEAD has previously been communicated. This report details the further multi‐parameter optimization of this class of compounds resulting in advanced analogs combining nanomolar cellular potency with a balanced ADME and off‐target profile, and efficacy of these compounds in tumor bearing mice is demonstrated for the first time.
Geographic diffusion of digital mammography in the United States
Authors: Wiese Daniel , Stroup Antoinette M. , Islami Farhad , Mattes Molly , Baylor Emma , Boscoe Francis P. , Henry Kevin A.
Published: March 2023

Background

Examining temporal and spatial diffusion of a new technology, such as digital mammography, can provide important insights into potential disparities associated with access to new medical technologies and how quickly these technologies are adopted. Although digital mammography is currently a standard technology in the United States for breast cancer screening, its adoption and geographic diffusion, as medical facilities transitioned from film to digital units, has not been explored well.

Methods

This study evaluated the geographic diffusion of digital mammography facilities from 2001 to 2014 in the contiguous United States (excluding Alaska and Hawaii) and estimated the geographic accessibility to this new technology for women aged ≥45 years at the census tract level within a 20‐minute drivetime by population density, rural/urban residence, and race/ethnicity. The number of mammography units by technology type (film or digital) and density per 10,000 women were also summarized.

Results

The adoption of digital mammography advanced first in densely populated regions and last in remote rural areas. Overall, proportion of digital mammography units increased from 1.4% in 2001 to 94.6% in 2014, but since 2008, there was a decline in density of units from 2.31 per 10,000 women aged ≥45 years to 1.97 in 2014. In 2014, approximately 87% of women aged ≥45 years in the contiguous United States had accessibility to digital mammography, but this proportion was substantially lower for Native American women (67%) and rural residents (32%).

Conclusion

Understanding the diffusion of and accessibility to digital mammography may help predict future medical technology diffusion and assess its role in geographic differences in cancer diagnosis and treatment.
The influence of maxillary incisor angles on the stress distributions of temporomandibular joints under incisal biting
Authors: Li Annan , Shao Bingmei , Chong Desmond Y. R. , Liu Zhan
Published: March 2023

Background and Objective

The incisal biting was one of the most regular jaw activities. The direction of bite force on the incisor tip and the mandible position were relevant to the incisor angle as biting. This study was carried out to explore the influence on the temporomandibular joint (TMJ) caused by the incisor angle.

Methods

Twenty individuals belonging to three incisor subtypes of the buccal type were recruited. In addition, the 3D models including the maxillary, mandible and discs were established based on their cone‐beam computed tomography and magnetic resonance imaging scannings. Then, the mandibular ligaments and the discal attachments were simulated in the finite element models to analyze the stress distributions of the TMJs under incisal biting.

Results

The TMJ stresses of subtype I showed normal range and distribution. The stresses of the intermediate temporal bone tended to increase in subtype II. The intermediate and posterior bands of the discs sustained greater tensile stresses in subtype III.

Conclusions

Abnormal stress distributions are harmful to TMJs, so the incisor cusp was not suggested to incline to the palatal side too much.
Therapeutic potential of tumor treating fields for malignant brain tumors
Authors: Zhou Youyou , Xing Xiaoqing , Zhou Jinyun , Jiang Han , Cen Peili , Jin Chentao , Zhong Yan , Zhou Rui , Wang Jing , Tian Mei , Zhang Hong
Published: March 2023

Background

Malignant brain tumors are among the most threatening diseases of the central nervous system, and despite increasingly updated treatments, the prognosis has not been improved. Tumor treating fields (TTFields) are an emerging approach in cancer treatment using intermediate‐frequency and low‐intensity electric field and can lead to the development of novel therapeutic options.

Recent Findings

A series of biological processes induced by TTFields to exert anti‐cancer effects have been identified. Recent studies have shown that TTFields can alter the bioelectrical state of macromolecules and organelles involved in cancer biology. Massive alterations in cancer cell proteomics and transcriptomics caused by TTFields were related to cell biological processes as well as multiple organelle structures and activities. This review addresses the mechanisms of TTFields and recent advances in the application of TTFields therapy in malignant brain tumors, especially in glioblastoma (GBM).

Conclusions

As a novel therapeutic strategy, TTFields have shown promising results in many clinical trials, especially in GBM, and continue to evolve. A growing number of patients with malignant brain tumors are being enrolled in ongoing clinical studies demonstrating that TTFields‐based combination therapies can improve treatment outcomes.
In vitro microleakage at the enamel and dentin margins of class II cavities of primary molars restored with a bulk‐fill and a conventional composite
Authors: Mosharrafian Shahram , Farahmand Niloofar , Poorzandpoush Kiana , Hosseinipour Zohre Sadat , Kahforushan Mehdi
Published: March 2023

Objectives

This study assessed the enamel and dentin margin microleakage of class II cavities of primary molars restored with a bulk‐fill and a conventional composite.

Materials and Methods

In this in vitro, experimental study, standard class II cavities were created in the proximal surfaces of 60 extracted primary molars. The teeth were randomly divided into two groups, and restored with SonicFill bulk‐fill and Filtek Z250 conventional composite along with Single Bond 2 adhesive. The teeth were coated with two layers of nail varnish to 1 mm around the restoration margins, and the apices were sealed with wax. The teeth underwent 1500 thermal cycles and incubated at 37°C for 24 h. They were then immersed in 1 M silver nitrate in the dark, rinsed with water, immersed in developing solution for 12 h, and exposed to fluorescent light. Next, they were mesiodistally sectioned, and digitally photographed under a stereomicroscope at ×10 magnification. The dye penetration depth was measured by a blind observer, and analyzed by the Mann–Whitney U test (α = .05).

Results

No significant difference existed in microleakage between the two composite groups at the enamel (p = .76) or dentin (p = .16) margins. In both composite groups, microleakage at the dentin margins was significantly greater than that at the enamel margins (p = .000).

Conclusion

Considering the absence of a significant difference in microleakage, SonicFill bulk‐fill composite can be used as an alternative to Filtek Z250 conventional composite for restoration of primary molars to benefit from its advantages such as simpler and faster application.
The Singapore convention on mediation to reinforce the status of international mediated settlement agreement: Breakthrough or redundancy?
Authors: Tan David
Published: March 2023

Mediation is a type of alternative dispute resolution (ADR) in which an impartial third party facilitates a voluntary negotiation. It is sometimes more desirable than traditional litigation or arbitration because of its timeliness, affordability, and tendency to preserve the disputant's relationship. Despite these advantages, global commercial mediation has traditionally suffered from one significant flaw: the difficulty for international mediated settlement agreements (iMSAs) to be enforced. The UN Convention on International Settlement Agreements Resulting from Mediation (the Singapore Convention on Mediation or SCM) aims to address this issue by establishing a process that makes iMSAs ipso facto enforceable. While this is a desirable and long‐awaited development for mediation, this article will argue that the convention will not disrupt the present ADR market, but it may potentially compete with hybrid ADR—like the Arb‐Med‐Arb, at least until the SCM obtains wider recognition. The SCM should also have addressed the enforceability of both iMSAs and agreements to mediate, rather than just that of merely the former.
Assessment of yield performance and stability of hybrids and populations of tropical maize across multiple environments in Southeastern Brazil
Authors: Uberti Alison , Rezende Wemerson Mendonça , Caixeta Diego Gonçalves , Reis Helber Moreira , Resende Nathalia Campos Vilela , Destro Vidomar , DeLima Rodrigo Oliveira
Published: March 2023

The identification of stable genotypes with high yield in diverse multiple‐stress environments is important to increase maize (Zea mays L.) grain yield under tropical environments. Our objective was to assess the yield performance and stability of experimental hybrids and broad‐based populations of tropical maize across diverse environments in Southeastern Brazil. We evaluated two sets of maize genotypes for grain yield: 190 experimental hybrids along with 6 commercial hybrids and 45 population hybrids along with their 10 parental populations across 8 environments in Southeastern Brazil. Multiple statistical methods were used and compared in the analyses. Combined analysis of variance indicated that genotypic main effect (G), environmental main effect (E), and genotype by environment interaction were highly significant (p < 0.0001) for grain yield. The E accounted for 42% of the total variation for both hybrids and populations, and they were more similar within the growing season than between seasons, mainly for populations. Low nitrogen (N) stress was a key factor in hybrid evaluation and recommendation, particularly under drought stress conditions. Among the environment classification methods, genotype main effect plus genotype × environment interaction (GGE) biplot provided more accurate information about environments grouping and selection of the genotypes than the Eberhart and Russell method. Harmonic mean of the relative performance of the predicted genetic values (HMRPGV) based on mixed models ranked the hybrids and populations according to mean grain yield and stability, penalizing hybrids, and populations with lower stability. Therefore, we recommend the GGE biplot and HMRPGV for genotype evaluation based on multi‐environment trials data. These methods identified 92V2144 and 92V2033 as the most promising hybrids for favorable and 92V2141, 92V2153, and 92V2137 as the most promising for unfavorable environments. 92VX033 and 92VX043 were identified as broadly adapted and stable populations across multiple environments in Southeastern Brazil.
Enhancing the materiality principle in integrated reporting by adopting the General Systems Theory
Authors: Aprile Roberto , Alexander David , Doni Federica
Published: March 2023

This article aims to explore the effectiveness of the materiality principle (MP) within Integrated Reporting (IR) by applying the General Systems Theory (GST) of Ludwig von Bertalanffy. GST, within its holistic approach, can be used to identify the main sub‐systems in which the regulation of IR can be articulated and the relationships between themselves, to make the MP effective, thereby improving the quality of the IR regulation. While much research has analyzed the materiality assessment and its impact on disclosure, little is known about how regulation affects the effectiveness of this principle. This research addresses this gap by explaining that materiality is not a stand‐alone principle but needs to be supported by other principles to be effectively enacted. Our findings can improve the materiality assessment by providing a better understanding of the materiality meaning that can be helpful for managers, standard setters and professional bodies. In terms of research implications, this provides a framework for an alternative thought process for simplification without sacrificing the proper breadth of stakeholder focus.
Design of an ultra‐wideband picosecond pulse generator based on step recovery diodes with an improved SPICE model
Authors: Wang Xiao‐Kang , Tian Ling , Wang Hai‐Long , Zhu Xiao‐Wei
Published: March 2023

This article proposed an ultra‐wideband ultra‐short picosecond pulse generator based on step recovery diodes (SRDs). The equivalent circuit model of SRD is analyzed, and an improved nonlinear simulation program with integrated circuit emphasis (SPICE) model is presented for appropriate circuit simulation in Advanced Design System (ADS) software. An external direct current (DC) voltage source is added to bias the SRD. In this article, a conventional shunt SRD topology configuration is developed to generate the Gaussian pulse. According to the measured data, the Gaussian pulse duration for the shunt SRD pulse generator is 210 ps, with the full width at half‐maximum (FWHM) of 110 ps, and the ringing level is −7.8 dB. Moreover, to further improve the tail ringing level, an SRD's mixed topology configuration is introduced and fabricated. The experimental results indicate that the two SRD mixed pulse generator has a pulse duration of 220 ps with FWHM of 120 ps, validating the reasonability of the improved SRD nonlinear SPICE model in ADS. Additionally, there is a considerable improvement in the ringing level of −11.4 dB.
A20 haploinsufficiency caused by loss‐of‐function TNFAIP3 mutation likely leads to progression of antiphospholipid syndrome to marginal zone lymphomas following coronavirus disease 2019 vaccination: A case study
Authors: Li Jie , Fu Xuekun , Xu Haichan , Li Bowen , Nie Liping , Ji Ling , Liang Chao
Published: March 2023

Antiphospholipid syndrome (APS) is a rare autoimmune systemic disorder. Previously, no report suggests that APS could progress to extranodal marginal zone lymphomas (EMZL). In this study, we met an unusual APS patient with such progression to EMZL. The patients had been diagnosed with APS two years ago and was in a stable condition after regular treatment until his readmission to our hospital and re‐diagnosed with EMZL recently. Coincidentally, we noticed that the patient had been immunized against inactivated COVID‐19 vaccine just 2 days before his readmission. Furthermore, we performed whole‐exome sequencing and identified a heterozygous, new variant in TNFAIP3 (tumor necrosis factor, α‐induced protein 3) which encoded A20 protein, a key molecule controlling NF‐κB signaling. This variation caused a loss of a base A in TNFAIP3 gene at position 443_444, leading to a frameshift mutation and the production of a truncated A20 Lys148fs*67. A20 Lys148fs*67 failed to suppress TNF‐α‐induced NF‐κB activation and might act through haploinsufficiency. Vaccines work by triggering an immune response to a virus or bacterium within the body. A20 negatively regulates NF‐κB signaling to protect immune system from overactivation. In our case, the newly identified mutation in the TNFAIP3 led to the production of a loss‐of‐function A20 Lys148fs*67, which lost the ability to inhibit inflammation. The patient with such a heterozygous mutation, when facing with the “second hit” of COVID‐19 vaccination challenge, might produce excessive amounts of inflammatory cytokines and formed "cytokine storm" duo to A20 haploinsufficiency, eventually leading to the progression from APS to EMZL.
Simultaneous inference of multiple plasma parameter profiles by utilizing transport properties
Authors: Nishizawa Takashi
Published: March 2023

Numerical techniques for the computation of posterior distribution ease restrictions on inference models, and multiple plasma parameters can be simultaneously inferred with detailed modelling of uncertainties. In addition, data that depend on multiple parameters in a complex manner can also be utilized. This paper discusses frameworks that further expand the inference capability by including transport properties in plasmas. A prior belief based on a transport equation helps to localize the posterior distribution, and when ample diagnostic capability is available, even unknown parameters in the transport model can be estimated. Furthermore, these transport parameters can be directly inferred when the profiles of the measurable plasma parameters can be easily calculated for the given transport properties.
Secondary electron emission and collisional effects in a two‐electron temperature plasma sheath
Authors: Sharma Gunjan , Paul Rupali , Deka Kishor , Moulick Rakesh , Adhikari Sayan , Kausik Siddhartha Sankar , Saikia Bipul Kumar
Published: March 2023

The effects of secondary electron emission from the surface of a material that is in direct contact with a plasma containing two different electron groups have been investigated based on the hydro‐dynamic sheath model. The two‐electron groups present in the system have distinct densities and temperatures. They are described by the non‐extensive distribution function, whereas cold ions are assumed to be fluid elements. In addition, the effect of ion‐neutral collision has also been taken into account. The study reveals that the electron non‐extensivity has a significant effect on the secondary electron population as well as space charge deposition near the wall. The results obtained from the study will provide a better understanding of the plasma‐wall transition region under an electron‐emitting condition.
Parachute shape ultra‐wideband wearable antenna for remote health care monitoring
Authors: Singh Vinod Kumar , Bangari Naresh , Ali Zakir , Vyas Anupam , Verma Ramesh Kumar , Saxena Anurag
Published: March 2023

Wireless body area networks (WBAN) is used to measure patients' health conditions continuously. Different kinds of sensors are required to measure health conditions. When such types of antennas are used on the human body, they are flexible with the movements. The usage of wearable devices is currently increasing in the biomedical field. The presented wearable antenna is suitable for biomedical applications. The presented ultra‐wideband (UWB) flexible parachute shape wearable antenna is fabricated on a jeans textile substrate. The prototype antenna has a −10 dB measured impedance bandwidth of 5800 MHz (7 to 12.8 GHz) with average radiation efficiency of 75.28%. The prototype antenna's size is 40 × 40 mm2 (1.32 × 1.32
at centre frequency 9.9 GHz) and a peak gain of 4.5 dB at 12.33 GHz. The fabricated antenna is suitable for biomedical applications in X‐band frequencies and can be implemented with a low‐cost manufacturing process. The radiating element is made by conductive copper tape. Muscle‐equivalent phantoms are used to analyze the body effect on antenna performance. The radiation effect emitted by the presented antenna on the human body is calculated by the specific absorption rate (SAR) value. The maximum SAR value of the proposed antenna is 1.84 W/kg at 12.33 GHz. This leads to promising results for wearable applications related to remote health care monitoring, such as biotelemetry and mobile health with a sensor‐driven approach.
A case in which the tip of a plastic stent placed to prevent recurrence of walled‐off necrosis penetrated the bile duct and formed a stent–stone complex
Authors: Sakuma Fumi , Irisawa Atsushi , Noguchi Satoaki , Abe Yoko , Hoshi Koki , Yamamiya Akira , Nagashima Kazunori , Kashima Ken , Kunogi Yasuhito , Fukushi Koh , Inaba Kohei , Oike Ken , Furuki Saori , Tominaga Keiichi , Goda Kenichi
Published: March 2023

A woman in her 60s underwent endoscopic sphincterotomy for choledocholithiasis. Unfortunately, post‐endoscopic retrograde cholangiopancreatography pancreatitis occurred. In addition, huge walled‐off necrosis (WON) appeared as a late complication. For the infected WON, endoscopic ultrasound‐guided fistuloplasty and endoscopic necrosectomy were performed, and a double pigtail plastic stent (PS) (7Fr, 7 cm) was placed to prevent a recurrence. Plain computed tomography conducted two years later showed that the stent implanted for WON had deviated. The distal end of the stent was found to have migrated into the bile duct. In addition, common bile duct stones with stents as nuclei were observed. Upon performing endoscopic retrograde cholangiography, it was revealed that the stent tip perforated the distal bile duct just above the papilla. After removal of the stent using grasping forceps, we made an incision between the duodenal – bile duct fistula and bile duct orifice using a sphincterotome. Then, the stone was removed by a balloon catheter. Although such late adverse events are rare occurrences, placement of long‐term PS after treatment of WON should be followed up regularly with imaging examination, and if there is no recurrence for several months, removal of the PS at that point may be considered.
Does paternal care influence mate preference? Male and female mating behavior in Threespine Stickleback ecotypes that differ markedly in parental care
Authors: Corney Rachel H. , Weir Laura K.
Published: March 2023

Reproductive isolation can occur due to divergence in sexual selection for particular traits. For example, differences in mate preference associated with body size can play an important role in divergence between groups. The importance of mate preference for population divergence may be influenced by other aspects of a mating system, such as the requirement for parental care. In Nova Scotia, Canada, two ecotypes of marine Threespine Stickleback occur sympatrically: a “common” ecotype wherein males provide parental care, and a “white” ecotype that does not exhibit paternal care. The goal of our study was to examine differences in male mate preference between white and common stickleback males to test the prediction that males who invest more in parental care may be more selective about their mates. Because of the link between size and fecundity in this species, we predict that males that invest in parental care should prefer large females, while males that do not provide care will not exhibit preference for larger female size. We found that common male stickleback preferred larger‐bodied females of both ecotypes, while white males showed a preference for larger‐bodied common females. Secondarily, we assessed whether females differed in their willingness to mate with males of different sizes and ecotypes. Common female stickleback had a higher response rate toward smaller white males, which may be associated with their relatively high courtship rates. Counter to previous studies on these ecotypes that suggest that mating is completely assortative, interecotype matings occurred in half of the observed spawning events. This observation, coupled with the results that males may prefer females based mainly on size and females respond to males who court more rigorously regardless of their ecotype, may lend insight into recent genetic evidence for hybridization in the wild.
Nitrogen is unlikely to consistently limit primary productivity in most tropical lakes
Authors: Fadum Jemma M. , Hall Ed K.
Published: March 2023

Despite mounting evidence that tropical lakes may experience an array of phytoplankton nutrient limitation regimes, references to low‐latitude lakes being predominantly nitrogen limited remain common in the literature. To assess the current understanding of nutrient limitation regimes in tropical lakes, we performed a literature review with the following objectives: First, quantify and summarize observations of nitrogen (N), phosphorus (P), and colimitation in the collected studies. Second, identify common drivers of tropical nutrient limitation regimes. Third, provide literature‐informed recommendations for future research efforts into nutrient limitation of tropical lakes. We report that not only is N not the dominant limiting nutrient in the reviewed lakes, but tropical lakes exhibit a wide range of nutrient limitation regimes, and there is often considerable heterogeneity of the dominant limiting nutrient within an individual lake. This heterogeneity is driven largely by seasonal patterns of water column stratification and precipitation, land use and land cover (LULC), and the interaction of these system characteristics with lake morphology. To accurately characterize nutrient limitation in tropical aquatic ecosystems, assessments need to include sampling across space and time in order to capture within‐lake spatial heterogeneity and both inter‐ and intra‐annual temporal variation. Whenever possible, both inferential and experimental approaches should be used in concert to determine nutrient limitation due to methodological limitations.
A Tetrapodal Penta‐Carbene Ligand and Iron(III) Complex
Authors: Gau Michael R. , Kurta Peter , Keller Taylor M. , Scepaniak Jeremiah J.
Published: March 2023

We report the first tetrapodal pentadentate ligand composed of five N‐heterocyclic carbene donors. The proto‐ligand [CC4H5Me](OTf)3 (3) is formed in good yields from commercially available reagents. Upon removal of 5 proton equivalents from 3 with bulky non‐nucleophilic bases a dianionic penta‐carbene framework is provided in good yields as a dilithium complex CC4MeLi2 (4). Addition of FeCl3 to a solution of 4 formed in situ provides CC4MeFeCl (5) in moderate yield. Solution‐state magnetism measurements of 5 are consistent with a S=1/2 Fe(III) center. The related diamagnetic Fe(II) compound CC4MeFe (6) can be formed through reduction of 5 using KC8 though poor solubility characteristics have hampered its formation on a preparative scale and full characterization.
Performance evaluation, environmental regulation, and urban land green use efficiency: Evidence from China
Authors: Fan Xianxian , Zhou Yunlei , Xie Qiang
Published: March 2023

Environmental regulation plays an important role in enhancing urban land green use efficiency (ULGUE), while economic and environmental performance evaluation may also impact ULGUE in the Chinese context. Using data from 282 prefecture‐level cities in China from 2006 to 2019, this article empirically tests the impacts of performance evaluation and environmental regulation on ULGUE by establishing a two‐way fixed‐effect model. The results show that environmental regulation has a significant contribution to ULGUE. However, environmental regulation also significantly increase carbon emissions from urban construction land, which is mainly influenced by the Chinese government's performance assessment. Therefore, the effect of performance evaluation is also examined. Economic performance evaluation is detrimental to environmental regulation and ULGUE, while environmental performance evaluation significantly contribute to both. Furthermore, economic performance evaluation and environmental regulation can synergistically promote ULGUE, however, environmental performance evaluation failed to have the same synergistic effect. Notably, when the ratio of economic performance evaluation to environmental performance evaluation was 2:8, performance evaluation and environmental regulation reached the optimal level for promoting ULGUE. Therefore, to improve ULGUE, it is necessary to establish and strengthen the constraint mechanism of environmental regulation on carbon emission from urban construction land. Meanwhile, local governments' performance assessment mechanism must be improved and the ratio of economic to environmental performance evaluation should be reasonably configured.
Reversible hydrogen storage in Li‐functionalized [2,2,2]paracyclophane at cryogenic to room temperatures: A computational quest
Authors: Sahoo Rakesh K. , Sahu Sridhar
Published: March 2023

In this work, we have studied the H2 adsorption‐desorption properties and storage capacities of [2,2,2]paracyclophane (PCP222) functionalized with Li atoms, using dispersion‐corrected density functional theory and molecular dynamic simulation. The Li atom was found to bond strongly with the benzene ring of PCP222 via Dewar interaction. Subsequently, the calculation of the diffusion energy barrier revealed a significantly high energy barrier of 1.38 eV, preventing the Li clustering on PCP222. The host material, PCP222‐3Li, adsorbed up to 15H2 molecules via charge polarization mechanism with an average adsorption energy of 0.145 eV/5H2, suggesting physisorption type of adsorption. The PCP222 functionalized with three Li atoms showed a maximum hydrogen uptake capacity of up to 8.32 wt%, which was fairly above the US‐DOE criterion. The practical H2 storage estimation revealed that the PCP222‐3Li desorbed 100% of adsorbed H2 molecules at the temperature range of 260 K to 300 K and pressure range of 1 bar to 10 bar. The maximum H2 desorption temperature estimated by the Vant‐Hoff relation was found to be 219 K and 266 K at 1 bar and 5 bar, respectively. The ADMP molecular dynamics simulations assured the reversibility of adsorbed H2 and the structural integrity of the host material at sufficiently above the desorption temperature (300 K and 500 K). Therefore, the Li‐functionalized PCP222 can be considered as a thermodynamically viable and potentially reversible H2 storage material below room temperature.
Development of Multiple Linear Regression Models for Predicting Chronic Iron Toxicity to Aquatic Organisms
Authors: Brix Kevin V. , Tear Lucinda , DeForest David K. , Adams William J.
Published: March 2023

We developed multiple linear regression (MLR) models for predicting iron (Fe) toxicity to aquatic organisms for use in deriving site-specific water quality guidelines (WQGs). The effects of dissolved organic carbon (DOC), hardness, and pH on Fe toxicity to three representative taxa (Ceriodaphnia dubia, Pimephales promelas, and Raphidocelis subcapitata) were evaluated. Both DOC and pH were identified as toxicity-modifying factors (TMFs) for P. promelas and R. subcapitata, whereas only DOC was a TMF for C. dubia. The MLR models based on effective concentration 10% and 20% values were developed and performed reasonably well, with adjusted R2 of 0.68–0.89 across all species and statistical endpoints. Differences among species in the MLR models precluded development of a pooled model. Instead, the species-specific models were assumed to be representative of invertebrates, fish, and algae and were applied accordingly to normalize toxicity data. The species sensitivity distribution (SSD) included standard laboratory toxicity data and effects data from mesocosm experiments on aquatic insects, with aquatic insects being the predominant taxa in the lowest quartile of the SSD. Using the European Union approach for deriving WQGs, application of MLR models to this SSD resulted in WQGs ranging from 114 to 765 μg l−1 Fe across the TMF conditions evaluated (DOC: 0.5–10 mg l−1; pH: 6.0–8.4), with slightly higher WQGs (199–910 μg l−1) derived using the US Environmental Protection Agency (USEPA) methodology. An important uncertainty in these derivations is the applicability of the C. dubia MLR model (no pH parameter) to aquatic insects, and understanding the pH sensitivity of aquatic insects to Fe toxicity is a research priority. An Excel-based tool for calculating Fe WQGs using both European Union and USEPA approaches across a range of TMF conditions is provided. Environ Toxicol Chem 2023;42:1386–1400. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Altered large‐scale dynamic connectivity patterns in Alzheimer's disease and mild cognitive impairment patients: A machine learning study
Authors: Jing Rixing , Chen Pindong , Wei Yongbin , Si Juanning , Zhou Yuying , Wang Dawei , Song Chengyuan , Yang Hongwei , Zhang Zengqiang , Yao Hongxiang , Kang Xiaopeng , Fan Lingzhong , Han Tong , Qin Wen , Zhou Bo , Jiang Tianzi , Lu Jie , Han Ying , Zhang Xi , Liu Bing , Yu Chunshui , Wang Pan , Liu Yong ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: March 2023

Alzheimer's disease (AD) is a common neurodegeneration disease associated with substantial disruptions in the brain network. However, most studies investigated static resting‐state functional connections, while the alteration of dynamic functional connectivity in AD remains largely unknown. This study used group independent component analysis and the sliding‐window method to estimate the subject‐specific dynamic connectivity states in 1704 individuals from three data sets. Informative inherent states were identified by the multivariate pattern classification method, and classifiers were built to distinguish ADs from normal controls (NCs) and to classify mild cognitive impairment (MCI) patients with informative inherent states similar to ADs or not. In addition, MCI subgroups with heterogeneous functional states were examined in the context of different cognition decline trajectories. Five informative states were identified by feature selection, mainly involving functional connectivity belonging to the default mode network and working memory network. The classifiers discriminating AD and NC achieved the mean area under the receiver operating characteristic curve of 0.87 with leave‐one‐site‐out cross‐validation. Alterations in connectivity strength, fluctuation, and inter‐synchronization were found in AD and MCIs. Moreover, individuals with MCI were clustered into two subgroups, which had different degrees of atrophy and different trajectories of cognition decline progression. The present study uncovered the alteration of dynamic functional connectivity in AD and highlighted that the dynamic states could be powerful features to discriminate patients from NCs. Furthermore, it demonstrated that these states help to identify MCIs with faster cognition decline and might contribute to the early prevention of AD.
Brain‐wide network analysis of resting‐state neuromagnetic data
Authors: Kida Tetsuo , Tanaka Emi , Kakigi Ryusuke , Inui Koji
Published: March 2023

The present study performed a brain‐wide network analysis of resting‐state magnetoencephalograms recorded from 53 healthy participants to visualize elaborate brain maps of phase‐ and amplitude‐derived graph‐theory metrics at different frequencies. To achieve this, we conducted a vertex‐wise computation of threshold‐independent graph metrics by combining proportional thresholding and a conjunction analysis and applied them to a correlation analysis of age and brain networks. Source power showed a frequency‐dependent cortical distribution. Threshold‐independent graph metrics derived from phase‐ and amplitude‐based connectivity showed similar or different distributions depending on frequency. Vertex‐wise age‐brain correlation maps revealed that source power at the beta band and the amplitude‐based degree at the alpha band changed with age in local regions. The present results indicate that a brain‐wide analysis of neuromagnetic data has the potential to reveal neurophysiological network features in the human brain in a resting state.