bluuebunny/crossref_metadata_2025 huggingface dataset:
Variability of Primary Sjögren's Syndrome Is Driven by Interferon‐α and Interferon‐α Blood Levels Are Associated With the Class II HLA–DQ Locus
Authors: Trutschel Diana , Bost Pierre , Mariette Xavier , Bondet Vincent , Llibre Alba , Posseme Celine , Charbit Bruno , Thorball Christian W. , Jonsson Roland , Lessard Christopher J. , Felten Renaud , Ng Wan Fai , Chatenoud Lucienne , Dumortier Hélène , Sibilia Jean , Fellay Jacques , Brokstad Karl A. , Appel Silke , Tarn Jessica R. , Quintana‐Murci Lluis , Mingueneau Michael , Meyer Nicolas , Duffy Darragh , Schwikowski Benno , Gottenberg Jacques Eric ,   The Milieu Intérieur Consortium, ASSESS study investigators, and NECESSITY Consortium
Published: June 2022

Objective

Primary Sjögren's syndrome (SS) is the second most frequent systemic autoimmune disease, affecting 0.1% of the general population. To characterize the molecular and clinical variabilities among patients with primary SS, we integrated transcriptomic, proteomic, cellular, and genetic data with clinical phenotypes in a cohort of 351 patients with primary SS.

Methods

We analyzed blood transcriptomes and genotypes of 351 patients with primary SS who were participants in a multicenter prospective clinical cohort. We replicated the transcriptome analysis in 3 independent cohorts (n = 462 patients). We determined circulating interferon‐α (IFNα) and IFNγ protein concentrations using digital single molecular arrays (Simoa).

Results

Transcriptome analysis of the prospective cohort showed a strong IFN gene signature in more than half of the patients; this finding was replicated in the 3 independent cohorts. Because gene expression analysis did not discriminate between type I IFN and type II IFN, we used Simoa to demonstrate that the IFN transcriptomic signature was driven by circulating IFNα and not by IFNγ protein levels. IFNα protein levels, detectable in 75% of patients, were significantly associated with clinical and immunologic features of primary SS disease activity at enrollment and with increased frequency of systemic complications over the 5‐year follow‐up. Genetic analysis revealed a significant association between IFNα protein levels, a major histocompatibility (MHC) class II haplotype, and anti‐SSA antibody. Additional cellular analysis revealed that an MHC class II HLA–DQ locus acts through up‐regulation of HLA class II molecules on conventional dendritic cells.

Conclusion

We identified the predominance of IFNα as a driver of primary SS variability, with IFNα demonstrating an association with HLA gene polymorphisms.
Theoretical Investigation of Switch Effect on the Efficiency and Adaptivity of Molecular Optoelectronic Conversion Devices
Authors: Jiao Fangfang , Wei Mingzhi , Leng Jiancai , Song Ziyue , Hu Wei , Zhang Yujin
Published: June 2022

Molecular photoswitch can effectively regulate charge separation (CS) and charge recombination (CR) in donor‐acceptor (D‐A) systems. However, deformation of the donor‐switch‐acceptor (D‐S‐A) systems caused by the switch isomerization will destroy the geometrical stability of the battery. Here we take the planar platinum(II) terpyridyl complex of [Pt(tBu3tpy)(−C≡C−Ph)n]+ as the typical D‐A model, designed six D‐S‐A systems using different photoswitches (dimethyldihydropyrene, fulgimide, arylazopyrazole, N‐salicylideneaniline, spiropyran, and dithienylethene, denoted as D‐S‐A 1–6 hereafter). Our investigations show that the D‐S‐A 1–6 can absorb visible light of 799 nm, 673 nm, 527 nm, 568 nm, 616 nm, and 629 nm, facilitating electrons transfer from the donor and the switch to the acceptor through the Switch‐on channel. Then cationic character of the photoswitch can undergo much more rapid isomerization than the neutral form due to the lower energy barrier. The Switch‐off isomer breaks the conjugation of the D‐S‐A system, effectively turning off the CT channel and forming the CS state. Based on the evaluated conjugated backbone twist (CBT) angle, we found that D‐S‐A 1, 2, 4, 6 exhibit little configurational change and can be good candidates as the organic solar cell. The proposed D‐S‐A design controlled by the molecular switch may help to develop a solution for solar‐harvesting practical applications.
Combined MD and QM/MM Calculations Reveal Allostery‐Driven Promiscuity in Dipeptide Epimerases of Enolase Family
Authors: Tripathi Ankita , Dutta Dubey Kshatresh
Published: June 2022

The adaptability of the active site to amplify the secondary function is supposed to be the fundamental cause of the promiscuity and the evolution of new functions in enzymes. In most cases, mutations occur close to the active site and/or in the catalytic site to change the active site plasticity to accommodate the non‐native substrate. In the present study, using MD simulations and hybrid QM/MM calculations, we have shown a way to enhance the promiscuity, i. e., the allostery‐driven promiscuity. Using a case study of the AEE enzyme where the capping loop recognizes the substrate, herein, we show that a single site mutation (D321G) far from the capping loop can induce a large conformational change in the capping loop to recognize different substrates for different functions. The QM/MM calculations for the WT and mutated enzyme provide a first validation of the mechanism of 1,1‐proton transfer and dehydration by the AEE enzyme. Since AEE epimerase possesses a highly conserved TIM‐barrel fold, we believe that our study provides a crucial lead to understanding the mechanism of emergence of secondary function which can be useful to repurpose ancient enzymes for modern usage.
AuPt bimetal‐codecorated ZnO nanowire‐based hydrogen sensors for detecting low concentration hydrogen gas with high response and selectivity
Authors: Min Sung‐Ki , Kim Hongseok , Kim Yunsu , Chang Sung‐Pil
Published: June 2022

ZnO nanowires decorated with bimetallic AuPt nanoparticles were synthesized using the vapor–liquid–solid method, followed by sputtering and thermal annealing, to fabricate highly sensitive and selective sensors for detecting ppb scale hydrogen gas. The proposed sensor demonstrated a clear pattern enough to recognize, even for 100 ppb hydrogen gas. The sensing responses of the pristine and AuPt bimetal‐codecorated ZnO nanowire‐based sensors were 1.09 and 7.3 for 100 ppb hydrogen gas, respectively. The sensing response of the proposed sensor is seven times as the decoration of AuPt nanoparticles. Furthermore, the proposed sensor exhibited excellent sensing selectivity for various interfering gases including ethanol, acetone, toluene, CO, and H2S. The proposed sensor shows excellent sensing performance because of synergistic effect of decorated AuPt, which play the role of catalysts. Therefore, hydrogen sensors showing superior sensing performance can be fabricated using this nanomaterial, and its advanced sensing performances are analyzed in this study.
Relation between the circular and linear form of the Elongator Acetyltransferase Complex Subunit 3 in the progression of triple‐negative breast cancer
Authors: Barznegar Masoumeh , Rahimi Karim , Mahdavi Parinaz , Menbari Mohammad‐Nazir , Darvishi Nikoo , Vahabzadeh Zakaria , Hakhamaneshi Mohammad‐Saied , Andalibi Pedram , Abdi Mohammad
Published: June 2022

Triple‐negative breast cancer (TNBC) is the most aggressive type of breast cancer (BC) that hardly responds to common treatment. Recent studies show that circ‐ELP3 (Elongator Acetyltransferase Complex Subunit 3 or hsa‐circ‐0001785) is involved in the pathogenesis of several malignancies. The present study aimed to evaluate the possible role of this circRNA in the progression of TNBC cells and the possible relation between the circular and linear forms of the ELP3. We evaluated the circ‐ELP3 and its host gene expression level in clinical samples and breast cancer cell lines. Using an expression vector, hsa‐circ‐0001785 was upregulated to investigate its role on cancer cell progression. After a transient transfection, we evaluated possible alterations in the cell cycle progression, cell viability, and cell proliferation. Quantitative real‐time polymerase chain reaction analyses verified that circ‐ELP3 and its host gene were significantly upregulated in TNBC tissues and breast cancer cells. Overexpression of circ‐ELP3 markedly increases the cell viability and proliferation and also the formation of colonies in transfected cells compared to the controls. Briefly, our results showed that Circ‐ELP3 and its host gene were significantly upregulated in TNBC. Circ‐ELP3 is involved in TNBC progression and may exert its effects by indirectly regulating of ELP3 expression.
Comparison of adenosine‐independent pressure indices to fractional flow reserve in stent‐jailed bifurcation side branches
Authors: Altstidl Johannes Michael , Achenbach Stephan , Marwan Mohamed , Tröbs Monique , Schacher Nora , Ferstl Paul , Gerlach Andreas , Schlundt Christian , Gaede Luise
Published: June 2022

Objectives and Background

This study aims to evaluate whether the high correlation and classification agreement of the instantaneous wave‐free ratio (iFR) and the resting distal coronary to aortic pressure ratio (Pd/Pa) with the fractional flow reserve (FFR) can be confirmed in stent‐jailed side branches (J‐SB).

Methods

Consecutive patients (n = 49) undergoing provisional stenting were prospectively enrolled and a physiological assessment of the J‐SB (n = 51) was performed. FFR, iFR, and Pd/Pa were measured and the hemodynamic relevance was determined using cutoff values of ≤0.80, ≤0.89, and ≤0.92, respectively.

Results

Both iFR (r = 0.75) and Pd/Pa (r = 0.77) correlated closely with FFR. Classification agreement with FFR was 78% for iFR (81% sensitivity, 77% specificity) and 75% for Pd/Pa (63% sensitivity and 80% specificity). However, angiographic diameter stenosis and pressure indices correlated poorly. For a threshold of ≥70% stenosis, agreement concerning hemodynamic relevance was found in 59% for FFR, 69% for iFR, and 61% for Pd/Pa.

Conclusion

As reported for other lesion types, FFR and the adenosine‐independent pressure indices iFR and Pd/Pa show close correlation and a high classification agreement of approximately 75%–80% in J‐SB. Therefore, iFR can be regarded as a recommendable alternative to FFR for the guidance of provisional stenting in bifurcation lesions.
Case of benralizumab‐induced exacerbations of chronic spontaneous urticaria
Authors: Magen Eli , Komarova Irina , Magen Israel , Phirtskhalava Sofia
Published: June 2022

The role of IL‐5 in chronic spontaneous urticarial (CSU) is unclear. It may be that benralizumab is an important bidirectional modifier of CSU; that is, blocking IL‐5 may improve CSU in some patients, but it is possible that it may worsen CSU in others.
Sulfur and nitrogen codoped cyanoethyl cellulose‐derived carbon with superior gravimetric and volumetric capacity for potassium ion storage
Authors: Cheng Guangzeng , Zhang Wenzhe , Wang Wei , Wang Huanlei , Wang Yixian , Shi Jing , Chen Jingwei , Liu Shuai , Huang Minghua , Mitlin David
Published: June 2022

We fabricated sulfur and nitrogen codoped cyanoethyl cellulose‐derived carbons (SNCCs) with state‐of‐the‐art electrochemical performance for potassium ion battery (PIB) and potassium ion capacitor (PIC) anodes. At 0.2, 0.5, 1, 2, 5, and 10 A g−1, the SNCC shows reversible capacities of 369, 328, 249, 208, 150, and 121 mA h g−1, respectively. Due to a high packing density of 1.01 g cm−3, the volumetric capacities are also uniquely favorable, being 373, 331, 251, 210, 151, and 122 mA h cm−3 at these currents, respectively. SNCC also shows promising initial Coulombic efficiency of 69.0% and extended cycling stability with 99.8% capacity retention after 1000 cycles. As proof of principle, an SNCC‐based PIC is fabricated and tested, achieving 94.3 Wh kg−1 at 237.5 W kg−1 and sustaining over 6000 cycles at 30 A g−1 with 84.5% retention. The internal structure of S and N codoped SNCC is based on highly dilated and defective graphene sheets arranged into nanometer‐scale walls. Using a baseline S‐free carbon for comparison (termed NCC), the role of S doping and the resultant dilated structure was elucidated. According to galvanostatic intermittent titration technique and electrochemical impedance spectroscopy analyses, as well as COMSOL simulations, this structure promotes rapid solid‐state diffusion of potassium ions and a solid electrolyte interphase that is stable during cycling. X‐ray diffraction was used to probe the ion storage mechanisms in SNCC, establishing the role of reversible potassium intercalation and the presence of KC36, KC24, and KC8 phases at low voltages.
A survey and comparative evaluation of actor‐critic methods in process control
Authors: Dutta Debaprasad , Upreti Simant R.
Published: June 2022

Actor‐critic (AC) methods have emerged as an important class of reinforcement learning (RL) paradigm that enables model‐free control by acting on a process and learning from the consequence. To that end, these methods utilize artificial neural networks, which are synergized for action evaluation and optimal action prediction. This feature is highly desirable for process control, especially when the knowledge about a process is limited or when it is susceptible to uncertainties. In this work, we summarize important concepts of AC methods and survey their process control applications. This treatment is followed by a comparative evaluation of the set‐point tracking and robustness of controllers based on five prominent AC methods, namely, DDPG, TD3, SAC, PPO, and TRPO, in five case studies of varying process nonlinearity. The training demands and control performances indicate the superiority of DDPG and TD3 methods, which rely on off‐policy, deterministic search for optimal action policies. Overall, the knowledge base and results of this work are expected to serve practitioners in their efforts toward further development of autonomous process control strategies.
Facile Control of Molecular Weight Distribution via Droplet‐Flow Light‐Driven Reversible‐Deactivation Radical Polymerization†
Authors: Zhou Yang , Fu Yangkang , Chen Mao
Published: June 2022

Comprehensive Summary

Molecular weight distribution (MWD) is fundamental for polymer analysis, which influences many important properties of polymeric materials. In this work, we demonstrate the development of a computer‐aided droplet‐flow system that combines photo‐mediated reversible‐deactivation radical polymerization (RDRP) and chain transfer agent (CTA) diffusion strategy to enable facile MWD control for the first time. Synthetic advantages of this photo‐flow polymerization allow controlled chain‐growth to yield a variety of polymers of tunable MWDs in a broad range (Ð ≈ 1.1—1.9) with predetermined molecular weights (Mn ≈ 4—30 kDa) and good chain‐end fidelity. Notably, the computer‐aided platform has streamlined an automatic and high‐throughput pathway to prepare polymer libraries of tunable MWDs. For copolymers, chemical compositions could be readily regulated besides MWDs with the droplet‐flow platform. We believe that this work should be attractive for polymer engineering, and informative to create more flow polymerization techniques toward on‐demand control of diverse polymer characters.
Current Perspective on Residual Knowledge Gaps in the Assessment of Transporter‐Mediated Drug Interactions
Authors: Yang Xinning , Reynolds Kellie , Madabushi Rajanikanth , Huang Shiew‐Mei
Published: June 2022

Assessment of transporter‐mediated drug–drug interaction (DDI) is integral to drug development. A risk‐based approach leveraging in vitro, in vivo, and in silico information is used to evaluate the DDI liability of drugs and inform the instructions of use. While tremendous advances have been made in recent decades, there are knowledge gaps warranting further research. Herein, we focus on select areas to advance assessment of DDI potential for drugs as substrates, inhibitors, or inducers of certain transporters.
An Efficient Gram‐Scale Chemical Synthesis of Purine Locked Nucleic Acid Nucleoside‐5′‐O‐Triphosphates
Authors: Shanmugasundaram Muthian , Senthilvelan Annamalai , Kore Anilkumar R.
Published: June 2022

This article presents a simple, reliable, straight‐forward, general, and efficient chemical method for the gram‐scale synthesis of purine locked nucleic acid (LNA) nucleotides, such as LNA guanosine‐5′‐O‐triphosphate (LNA‐GTP) and LNA adenosine‐5′‐O‐triphosphate (LNA‐ATP), starting from the corresponding nucleoside. The reaction pathway employs an improved protection‐free “one‐pot, three‐step” Ludwig synthetic strategy. The first step involves monophosphorylation of nucleoside with phosphorus oxychloride followed by reaction with tributylammonium pyrophosphate and subsequent hydrolysis of the resulting cyclic intermediate to furnish the corresponding LNA nucleotide in good yields. It is noteworthy that the reaction affords high‐purity (>99.5%) LNA nucleotide after diethylaminoethyl Sepharose column purification. © 2022 Wiley Periodicals LLC.

Basic Protocol: Synthesis of LNA nucleoside‐5′‐O‐triphosphates
Modeling the Effects of Maternal Diabetes on the Developing Human Heart Using Pluripotent Stem Cell–Derived Heart Organoids
Authors: Lewis‐Israeli Yonatan R. , Abdelhamid Mishref , Olomu Isoken , Aguirre Aitor
Published: June 2022

Congenital heart defects (CHD) constitute the most common type of birth defect in humans. Maternal diabetes during the first trimester of pregnancy (pregestational diabetes, or PGD) is one of the most prominent factors contributing to CHD, and is present in a significant population of female patients with diabetes in reproductive age. PGD is challenging to manage clinically due to the extreme sensitivity of the developing embryo to glucose oscillations, and constitutes a critical health problem for the mother and the fetus. The prevalence of PGD‐induced CHD is increasing due to the ongoing diabetes epidemic. While studies using animal models and cells in culture have demonstrated that PGD alters critical cellular and developmental processes, the mechanisms remain obscure, and it is unclear to what extent these models recapitulate PGD‐induced CHD in humans. Clinical practice precludes direct studies in developing human embryos, further highlighting the need for physiologically relevant models. To bypass many of these technical and ethical limitations, we describe here a human pluripotent stem cell (hPSC)–based method to generate developmentally relevant self‐organizing human heart organoids. By using glucose and insulin to mimic the diabetic environment that the embryo faces in PGD, this system allows modeling critical features of PGD in a human system with relevant physiology, structure, and cell types. The protocol starts with the generation of hPSC‐derived embryoid bodies in a 96‐well plate, followed by a small molecule–based three‐step Wnt activation/inhibition/activation strategy. Organoids are then differentiated under healthy (normal insulin and glucose) and diabetic conditions (high insulin and glucose) over time, allowing for the study of the effects of pregestational diabetes on the developing human heart. We also provide an immunofluorescence protocol for comparing, characterizing, and analyzing the differences between the healthy and diabetic organoids, and comment on additional steps for preparing the organoids for analysis by other techniques after differentiation. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Generation of hPSC‐derived embryoid bodies

Basic Protocol 2: Differentiation of EBs into heart organoids under healthy and diabetes‐like conditions

Basic Protocol 3: Immunofluorescence and organoid preparation for other assays
Cross‐sectional study of propofol dose during intravenous sedation for dental surgery in patients with long‐term oral benzodiazepine therapy: A secondary publication
Authors: Fujisawa Toshiaki , Miyata Kazuki , Nitta Yukie , Terui Akifumi , Ishikawa Emi , Hamaya Eri , Wakana Keiichiro , Takuma Shigeru , Shibuya Makiko
Published: June 2022

Objectives

The amount of propofol required for intravenous sedation (IVS) in patients on long‐term oral benzodiazepine (BZD) therapy may be affected by drug interactions and central changes in sensitivity. However, there is no research on the effect of long‐term oral BZD use on the amount of propofol required for IVS. We aimed to clarify the difference between the total propofol dose required for IVS in patients with or without long‐term oral BZD therapy.

Material and methods

Among patients treated for 4 years, the total administered dose required for IVS with propofol alone and local anesthesia for the extraction of bilateral impacted mandibular wisdom teeth, was retrospectively compared between patients with continuous oral BZD use for ≥6 months (BZD group; n = 24) and those without such use (control group; n = 307). The aimed sedation level was the Ramsay sedation scale 3–4.

Results

The amount of propofol required for IVS was significantly lower in the BZD group compared to the control group (4.83 ± 1.30 vs. 5.91 ± 1.25 mg/kg/h, p < .001; 95% confidence interval, −1.22 to −0.94 mg/kg/h; Cohen's d, 0.84). The required propofol dose was not influenced by preoperative oral BZD administration on the day of extraction (presence [n = 13] vs. absence [n = 11]: 4.9 ± 1.3 vs. 4.8 ± 1.7 mg/kg/h, p = .83). Long‐term oral BZD therapy remained a significant factor for a lower required propofol dose after adjusting for age with multiple linear regression analysis. The underlying mechanism cannot be an additive action process but might pertain to competitive inhibition via an enzyme involved in glucuronate conjugation or competitive albumin binding.

Conclusions

Clinicians should understand that patients on long‐term oral BZDs therapy might require less propofol for IVS than those not on BZDs, irrespective of whether BZDs were taken preoperatively on the day of surgery.
Children and adolescents with speech sound disorders are more likely to have orofacial dysfunction and malocclusion
Authors: Mogren Åsa , Sand Anders , Havner Christina , Sjögreen Lotta , Westerlund Anna , Agholme Monica Barr , Mcallister Anita
Published: June 2022

Background

Children with speech sound disorders (SSD) form a heterogeneous group that differs in terms of underlying cause and severity of speech difficulties. Orofacial dysfunction and malocclusions have been reported in children with SSD. However, the association is not fully explored.

Objectives

Our aims were to describe differences in orofacial function and malocclusion between a group of children and adolescents with compared to without SSD and to explore associations between those parameters among the group with SSD.

Methods

A total of 105 participants were included, 61 children with SSD (6.0–16.7 years, mean age 8.5 ± 2.8, 14 girls and 47 boys) and 44 children with typical speech development (TSD) (6.0–12.2 years, mean age 8.8 ± 1.6, 19 girls and 25 boys). Assessments of orofacial function included an orofacial screening test and assessment of bite force, jaw stability, chewing efficiency, and intraoral sensory‐motor function. Possible malocclusions were also assessed.

Result

Children with SSD had both poorer orofacial function and a greater prevalence of malocclusion than children with TSD. Furthermore, children with SSD and poorer orofacial function had a greater risk of malocclusion.

Conclusion

Our result suggests that children with SSD are more prone to having poorer orofacial function and malocclusion than children with TSD. This illustrates the importance of assessing coexisting orofacial characteristics in children with SSD, especially since orofacial dysfunction may be linked to an increased risk of malocclusion. This result highlights the need for a multiprofessional approach.
A tool for incorporating interprofessional perspectives into dental students decision‐making: A 2‐year follow‐up on this learning outcome
Authors: Craig Trevor W. , Comnick Carissa L. , Leary Kecia S. , Hartshorn Jennifer E. , Johnsen David C. , Marchini Leonardo
Published: June 2022

Objectives

To analyze student performance when using a sustainable teaching tool developed to guide learning toward interprofessional perspectives.

Methods

This study compiled data about D4 students’ performance when using an interprofessional education (IPE) teaching tool reported previously in this journal, during their 5‐week Geriatric and Special Needs Program rotation in the academic years 2018–2019 and 2019–2020. Ninety‐two students were introduced to IPE concepts and teaching tools during their orientation. Students were then asked a question regarding the perspective of each healthcare team member and whether they would contact these healthcare team members for collaboration during the provision of oral care with regard to various patient cases. Students were scored on whether they answered the question about the perspective of each health care team member. The same two independent evaluators also noted whether the student thought each member of the health care team should be contacted.

Results

A majority (90.2%–95.7%) of dental students applied their knowledge to questions regarding each health care team member's perspectives. The profession that dental students most often indicated they wished to contact for collaboration was primary care providers (n = 70; 76.1%), followed by family caregivers (n = 54; 58.7%), and pharmacists (n = 46; 50.0%). The results of the interrater agreement between the two‐faculty scoring students were between 86.7% and 100%.

Conclusions

The teaching tool is sustainable and succinct. Students considered the perspectives of each health care team member at a rate above 90%, and the interrater agreement was high among the faculty evaluators. Students considered contacting primary care providers, family caregivers, and pharmacists more often than the other health care team members. We see this model as one approach to begin the articulation of learning outcomes for IPP.
The role of snare proteins in cortical development
Authors: Vadisiute Auguste , Meijer Elise , Szabó Florina , Hoerder‐Suabedissen Anna , Kawashita Eri , Hayashi Shuichi , Molnár Zoltán
Published: June 2022

Neural communication in the adult nervous system is mediated primarily through chemical synapses, where action potentials elicit Ca2+ signals, which trigger vesicular fusion and neurotransmitter release in the presynaptic compartment. At early stages of development, the brain is shaped by communication via trophic factors and other extracellular signaling, and by contact‐mediated cell–cell interactions including chemical synapses. The patterns of early neuronal impulses and spontaneous and regulated neurotransmitter release guide the precise topography of axonal projections and contribute to determining cell survival. The study of the role of specific proteins of the synaptic vesicle release machinery in the establishment, plasticity, and maintenance of neuronal connections during development has only recently become possible, with the advent of mouse models where various members of the N‐ethylmaleimide‐sensitive factor attachment protein receptor (SNARE) complex have been genetically manipulated. We provide an overview of these models, focusing on the role of regulated vesicular release and/or cellular excitability in synaptic assembly, development and maintenance of cortical circuits, cell survival, circuit level excitation–inhibition balance, myelination, refinement, and plasticity of key axonal projections from the cerebral cortex. These models are important for understanding various developmental and psychiatric conditions, and neurodegenerative diseases.
Cereal rye mulch biomass and crop density affect weed suppression and community assembly in no‐till planted soybean
Authors: Menalled Uriel D. , Adeux Guillaume , Cordeau Stéphane , Smith Richard G. , Mirsky Steven B. , Ryan Matthew R.
Published: June 2022

The use of multiple ecological weed management tactics may be an effective solution to weed management challenges associated with reducing tillage. An experiment was conducted to assess how soybean Glycine max (L.) Merr. density and cereal rye Secale cereale L. mulch biomass affected weed suppression and community assembly in no‐till production. Soybean was planted at five rates from 0 to 74 seeds m−2, and five cereal rye mulch levels were established from 0 to 2 times the ambient cereal rye biomass within each site–year. We assessed the effects of soybean density and cereal rye mulch biomass on weed suppression, weed community composition, and the functional structure of weed life cycle, emergence timing, seed weight, height, and specific leaf area traits. Weed suppression was influenced by a synergistic interaction between soybean density and cereal rye biomass. The functional dispersion (FDis) of all weed traits, when combined, was reduced by increased soybean density and mulch biomass, suggesting that high treatment intensities induced trait convergence. However, soybean density and cereal rye biomass had differing effects on the FDis and composition of individual traits, suggesting that these management practices represent unique filters during weed community assembly. Mulch biomass had a larger effect on annual weed suppression and weed community composition than soybean density. Farmers who utilize high biomass cover crop mulch for weed management may experience shifts in weed community composition toward an increased proportion of perennials and weeds with later emergence, heavier seeds, and shorter stature. Increasing soybean density may reduce perennial weed biomass, making it a valuable complement to high cereal rye mulch biomass. As such, weed management in no‐till soybean is enhanced by combining multiple practices, which can enable synergistic weed suppression and the management of diverse weed functional groups.
Global pattern of soil priming effect intensity and its environmental drivers
Authors: Mo Fei , Ren Chengjie , Yu Kailiang , Zhou Zhenghu , Phillips Richard P. , Luo Zhongkui , Zhang Yeye , Dang Yuteng , Han Juan , Ye Jian‐Sheng , Vinay Nangia , Liao Yuncheng , Xiong Youcai , Wen Xiaoxia
Published: June 2022

The microbial priming effect—the decomposition of soil organic carbon (SOC) induced by plant inputs—has long been considered an important driver of SOC dynamics, yet we have limited understanding about the direction, intensity, and drivers of priming across ecosystem types and biomes. This gap hinders our ability to predict how shifts in litter inputs under global change can affect climate feedbacks. Here, we synthesized 18,919 observations of CO2 effluxes in 802 soils across the globe to test the relative effects (i.e., log response ratio [RR]) of litter additions on native SOC decomposition and identified the dominant environmental drivers in natural ecosystems and agricultural lands. Globally, litter additions enhanced native SOC decomposition (RR = 0.35, 95% CI: 0.32–0.38), with greater priming effects occurring with decreasing latitude and more in agricultural soils (RR = 0.43) than in uncultivated soils (RR = 0.28). In natural ecosystems, soil pH and microbial community composition (e.g., bacteria: fungi ratio) were the best predictors of priming, with greater effects occurring in acidic, bacteria‐dominated sandy soils. In contrast, the substrate properties of plant litter and soils were the most important drivers of priming in agricultural systems since soils with high C:N ratios and those receiving large inputs of low‐quality litter had the highest priming effects. Collectively, our results suggest that, though different factors may control priming effects, the ubiquitous nature of priming means that alterations of litter quality and quantity owing to global changes will likely have consequences for global C cycling and climate forcing.
Experimental warming reduces body mass but not reproductive investment
Authors: Lackey Alycia C. R. , Whiteman Howard H.
Published: June 2022

Climate change has already had wide‐ranging effects on populations, including shifts in species' ranges, phenology, and body size. Whereas some common patterns have emerged, the direction and magnitude of responses vary extensively among populations as well as across life stages within populations. Understanding the consequences of climate change and predicting future responses at the population level require experimental tests of how warmer temperatures affect life history traits, including growth rate, development time, and reproductive output. Here, we tested how experimental warming affected life history from larval development and survival to adult reproductive maturity and investment in mole salamanders, Ambystoma talpoideum. We found that a small temperature increase (~1°C) experienced during larval development had complex consequences: density‐dependent effects on growth and body mass, density‐independent effects on fat storage, and no effects on survival and reproductive investment. Although warming reduced growth rates, size at maturity, and fat storage, salamanders in both warmed and control conditions had similar survival and reproductive investment in their first year. However, costs of smaller body size and lower fat reserves may limit overwintering survival and/or future reproduction. Our study highlights the differential effects of warming across life history traits and multifaceted population responses to climate change. This work motivates future studies to examine variation in response to climate change across life stages and life history traits.
Ethylenediamine Assisted Synthesis of Sn‐MFI Zeolite with High Space‐Time Yield as Lewis Acidic Catalysts for Conversion of Dihydroxypropanone to Methyl Lactate
Authors: Wang Shiwei , Li Tianhao , Chu Yuting , Li Tong , Yu Hongbo , Wang Shuibo , Chai Juan , Yan Bo , Zhou Xiaobing , Yin Hongfeng
Published: June 2022

The efficient preparation of catalyst is an important topic for its industrial application. The Sn‐containing zeolite is one kind of important catalysts for many catalytic conversions of oxygenated chemicals. In this work, an efficient strategy for preparation of Sn‐MFI zeolite was developed, of which space‐time yield can reach 62.58 kg/m3⋅h, which is 120 times higher than that of typical hydrothermal route (0.53 kg/m3⋅h). Combining XRD, TEM, XPS, FT‐IR, 29Si NMR and other characterization methods, the framework tin sites were confirmed, and key role of ethylenediamine (EDA) for formation of which was revealed. Additionally, the framework tin sites content and catalytic activity of the Sn‐MFI prepared by this strategy is comparable to that of Sn‐MFI‐hy prepared by typical route in the conversion of dihydroxypropanone (DHA) to methyl lactate (ML), which gives ML yield of 80.64 % under optimized conditions. The proposed methodology can be extended to other types of Sn‐containing zeolite, which will certainly promote its industrial application.
Reactions of Alkyl‐Substituted Rhenacyclobutadiene Complexes with Electron‐Rich Alkynes
Authors: Wei Wei , Sung Herman H. Y. , Williams Ian D. , Jia Guochen
Published: June 2022

The reactivity of low‐valent alkyl‐substituted metallacyclobutadienes towards electron‐rich alkynes was studied. Treatment of the alkyl‐substituted rhenacyclobutadiene complexes Re{−C(R)=C(CO2Et)C(OEt)=}(CO)4 (R=Me, Et) with HC≡COEt produced a mixture of the cyclopentadienyl complexes Re{η5‐C5H(R)(CO2Et)(OEt)2}(CO)3 and the new rhenacyclobutadienes Re{−C(OEt)=C[C(R)=CH(CO2Et)]C(OEt)=}(CO)4 bearing a pendant vinyl substituent C(R)=CH(CO2Et) at the β‐carbon. The reactions proceed through initial nucleophilic attack of the terminal carbon of HC≡COEt on the ReC(R) carbon of the starting rhenacyclobutadienes. The rhenacyclobutadiene complex Re{−C(Me)=C(CO2Et)C(OEt)=}(CO)4 reacted with aminoalkynes RC≡CNEt2 (R=Ph, Me) to produce the unusual coupling products Re{−C(OEt)=C(CO2Et)C[CH=C(NEt2)CH2R]=}(CO)4, metallacyclobutadiene complexes bearing the vinyl substituent CH=C(NEt2)CH2R at an α‐carbon. The mechanisms of the reactions are discussed.
Oxidation of N,N,N,2,2,6,6‐Heptamethyl‐piperidine‐4‐ammonium Chloride to Water‐Soluble N‐Oxyl Radicals: A Comparative Study
Authors: Schröter Erik , Rohland Philip , Schreyer Kristin , Friebe Christian , Hager Martin D. , Schubert Ulrich S.
Published: June 2022

A vast variety of oxidation procedures is known to obtain 2,2,6,6‐tetramethylpiperidinyl‐4‐oxyl (TEMPO) moieties from its piperidinyl precursor. However, up to now no comprehensive study has been performed concerning the performance and feasibility for lab‐scale synthesis. With the focus on the ease of synthesis, occurring impurities, the reaction yield and the degree of oxidation (DoO), this study represents a thorough investigation of different oxidation processes yielding N‐oxyl radicals in a one‐step procedure. The resulting materials were investigated by redox titration and electron spin resonance spectroscopy to determine the DoO, which is the determining parameter for the yield of this oxidation reaction. The most promising procedures have been transferred to a polymeric material to evaluate the feasibility of the catalysts for more complex substrates.
Stereoselective Synthesis of 2,3‐Diamino‐2,3‐dideoxyglycosides from 3‐O‐Acetyl‐2‐nitroglycals
Authors: Wu Xiaopei , Zheng Zhichao , Wang Liming , Xue Yunxia , Liao Jinxi , Liu Hui , Liu Deyong , Sun Jian‐Song , Zhang Qingju
Published: June 2022

2‐Nitroglycal is a widely used synthon for aminoglycosides synthesis. Herein, we report an efficient method for 2‐nitroglycals synthesis using nBu4NNO3/Tf2O/DTBMP. Using 3‐O‐acetyl‐2‐nitroglycals as donors, a novel method for the construction of challenging 1,2‐cis‐2,3‐diamino‐2,3‐dideoxyglycosidic linkages was established using 4‐pyrrolidinopyridine (PPY) mediated relay glycosylation reaction. The method enjoys many features, including very mild reaction condition, excellent regio‐ and stereoselectivity, good to excellent yields and broad substrate scope.
Commentary to “Delay time in the transfer of modulation between microwave beams”
Authors: Cacciari Ilaria , Mugnai Daniela , Ranfagni Anedio
Published: June 2022

New results, as reported in a forthcoming paper (Cacciari & Ranfagni, 2022), induced us to modify our point of view on the origin of the transfer of modulation between microwave beams. We believe that a commentary and addition of information to the paper published as Reference 1 appear appropriate.
A Random‐XFEM technique modeling of hydraulic fracture interaction with natural void
Authors: Luo Zhifeng , Xie Yaozeng , Zhao Liqiang , Cheng Long , Wen Guohua , Wang Chunlei , Gao Yujia , Wang Nailu
Published: June 2022

In this paper, a Random‐XFEM technology was employed to simulate hydraulic fracture interaction with the natural void in a random field of Young's modulus. The random distribution of Young's modulus is characterized by random field theory, while the stress and pressure fields fracturing were solved by the extended finite element method. And a Random‐XFEM iteration algorithm was proposed to solve the hydraulic fracture propagation problem. Then the proposed model was verified against the KGD model and numerical study. A series of numerical examples were presented to analyze the interaction mechanism of hydraulic fracture and void in a random field. The numerical results show that the random field of Young's modulus has a great impact on the hydraulic fracture propagation path. Under the random distribution of Young's modulus, the hydraulic fracture would deviate from the direction of maximum horizontal principal stress. And the random field parameters (Young's modulus mean and point variance) have different effects on the hydraulic fracture propagation path. Also, the interaction patterns of hydraulic fracture and void are greatly affected by random fields.
Development and heat transfer analysis of thermoelectric self‐powered fuel‐fired residential boiler
Authors: Xiao Heng , Qiu Kuanrong , Gou Xiaolong , Liu Xiaobing , Li Zhenggui
Published: June 2022

Solid‐state thermoelectric (TE) devices offer many interesting features compared with other methods of generation, such as no moving parts, high reliability, low maintenance, and straightforward integration with other heating equipment. In this study, a thermoelectric assembly was integrated into a residential heating boiler to convert a portion of combustion heat to electricity while meeting space and/or water heating needs. A prototype was developed, in which recently developed thermoelectric modules were incorporated into a gas‐fired boiler. The electricity generated by the thermoelectric assembly would be sufficient to power the electrical auxiliary components of the heating system. In this way, the heating system could operate entirely on fuel combustion and provide the consumer with heating system reliability and a reduction in power consumption. A model for the thermoelectric conversion system was established and the thermal resistance analysis was carried out to show the influence of heat transfer coefficients and other parameters on power output and efficiency, and thus improve the system design. In this study, the single‐module integrated assembly can produce a 22.5 W power output. However, each module of the four‐/eight‐module integrated assembly can only generate a power output of 7.85/9.175 W on average. The performance of a single module in a multimodule assembly is worse than that of a single module assembly. The number of modules placed on the furnace wall is not as many as possible but has an optimal value. In this experimental environment, the assembly of eight modules is the optimal choice. Furthermore, it is found that enhancing combustion‐side heat transfer capacity is an effective way to promote system performance. The power output of the assembly composed of four modules will increase by 70% from 7.85 to 13.5 W due to the installation of the fin on the hot end.
Predicting Combined Effects of Chemical Stressors: Population-Level Effects of Organic Chemical Mixtures with a Dynamic Energy Budget Individual-Based Model
Authors: Vlaeminck Karel , Viaene Karel P. J. , Van Sprang Patrick , De Schamphelaere Karel A. C.
Published: June 2022

Most regulatory ecological risk-assessment frameworks largely disregard discrepancies between the laboratory, where effects of single substances are assessed on individual organisms, and the real environment, where organisms live together in populations and are often exposed to multiple simultaneously occurring substances. We assessed the capability of individual-based models (IBMs) with a foundation in the dynamic energy budget (DEB) theory to predict combined effects of chemical mixtures on populations when they are calibrated on toxicity data of single substances at the individual level only. We calibrated a DEB-IBM for Daphnia magna for four compounds (pyrene, dicofol, α-hexachlorocyclohexane, and endosulfan), covering different physiological modes of action. We then performed a 17-week population experiment with D. magna (designed using the DEB-IBM), in which we tested mixture combinations of these chemicals at relevant concentrations, in a constant exposure phase (7-week exposure and recovery), followed by a pulsed exposure phase (3-day pulse exposure and recovery). The DEB-IBM was validated by comparing blind predictions of mixture toxicity effects with the population data. The DEB-IBM accurately predicted mixture toxicity effects on population abundance in both phases when assuming independent action at the effect mechanism level. The population recovery after the constant exposure was well predicted, but recovery after the pulse was not. The latter could be related to insufficient consideration of stochasticity in experimental design, model implementation, or both. Importantly, the mechanistic DEB-IBM performed better than conventional statistical mixture assessment methods. We conclude that the DEB-IBM, calibrated using only single-substance individual-level toxicity data, produces accurate predictions of population-level mixture effects and can therefore provide meaningful contributions to ecological risk assessment of environmentally realistic mixture exposure scenarios. Environ Toxicol Chem 2022;41:2240–2258. © 2022 SETAC
Oxidative Stress and Apoptosis in Bisphenol AF–Induced Neurotoxicity in Zebrafish Embryos
Authors: Gyimah Eric , Zhu Xian , Zhang Ziqi , Guo Mengyuan , Xu Hai , Mensah John Kenneth , Dong Xing , Zhang Zhen , Gyimah Godfred Nana Wireko
Published: June 2022

Bisphenol AF (BPAF) is a structural counterpart of bisphenol A that is utilized in the food and beverage industry. The present study investigated the potential mechanisms in BPAF-induced neurotoxicity in zebrafish embryos. The BPAF concentrations (0.03, 0.1, 0.3, and 1.0 µM) had no obvious effect on hatching, mortality, and body length of zebrafish larvae, while curved tail and pericardial edema were observed in the 1.0 μM group at 72 and 96 h postfertilization (hpf). Locomotor activity of the larvae (at 120 hpf) significantly decreased from dark to light but increased from light to dark transitions in BPAF groups (0.1, 0.3, and 1.0 μM). Acridine orange showed that BPAF significantly increased green fluorescence protein intensity (22.6%) in the 1.0 μM group. Consistently, the induced apoptosis significantly up-regulated caspase 3 at 0.3 μM (1.95-fold) and 1.0 μM (2.26-fold) and bax at 0.3 μM (1.60-fold) and 1.0 μM (1.78-fold), whereas bcl-2 expression was significantly decreased at 0.3 μM (0.72-fold) and 1.0 μM (0.53-fold). In addition, increased reactive oxygen species concentrations at 0.3 μM (27%) and 1.0 μM (61.4%) resulted in suppressed superoxide dismutase and catalase activities. Moreover, quantitative polymerase chain reaction results showed that BPAF (0.3 and 1.0 μM) significantly altered normal dopaminergic signaling where dat was up-regulated, while drd2a and th1 were down-regulated, in a concentration-dependent manner. Aberrations in dopamine-related genes were congruous with the dysregulations in neurodevelopment genes (sox11b, pax6a, syn2a, and rob2). Our findings suggest that BPAF-evoked oxidative stress and apoptosis could translate into phenotypical behavioral and neurodevelopmental abnormalities. These highlights could provide theoretical reference for risk assessment and act as an early indicator to BPAF exposure. Environ Toxicol Chem 2022;41:2273–2284. © 2022 SETAC
Analysis of changes in simulated rancidification process during the storage of Huangjiu
Authors: Jian Hu , Shuangping Liu , Mujia Nan , Caixia Liu , Guixiao Liu , Jian Mao
Published: June 2022

Huangjiu, a traditional Chinese wine with low alcoholic strength, can easily develop rancidification upon microbial contamination in the long‐term storage process. In order to analyze the changes in key indexes in the rancidification process during the storage of Huangjiu, a laboratory simulation of microbial contamination changes was carried out. Changes in microbiological indexes, physicochemical indexes, and volatile flavor compounds in the rancidification process of Huangjiu can be divided into two stages. Test results demonstrated that within the early stage of the rancidification process, multiplication of contaminating microorganisms was in the adaptation phase with a slow OD600 growth value of Huangjiu, while physicochemical indexes such as the pH and amino acid nitrogen content changed relatively slowly. The contents of aldehyde compounds in the volatile flavor components of Huangjiu declined quickly to be lower than 1.0 mg/L, while the conductivity index increased by 6%. In the late stage, the OD600 value of Huangjiu increased rapidly and microorganism multiplication entered the logarithmic phase. Furthermore, changes in the physicochemical indexes are accelerated. Specifically, the histamine content increased by 457% and the content of aldehydes remains lower than 1.0 mg/L. The conductivity index continued to rise by 25% in this stage. This indicates that the two rancidification stages have different influences on the quality of Huangjiu. The conductivity value can be used as a staged representative index throughout the rancidification of Huangjiu to distinguish between different batches and evaluate the degree of microbial contamination. Additionally, the conductivity index can be used for long‐term online monitoring of large tank storage of Huangjiu.