bluuebunny/crossref_metadata_2025 huggingface dataset:
Safety of cold snare polypectomy vs conventional hot polypectomy for 4 to 10 mm gastric polyps: A single‐center retrospective study
Authors: Ma Te‐Ling , Yang Shih‐Cheng , Wu Cheng‐Kun , Lu Long‐Sheng , Liang Chih‐Ming , Tai Wei‐Chen , Chuah Seng‐Kee
Published: December 2022

Endoscopic polypectomy has become standard in the management of most polyps in the gastrointestinal tract, but bleeding is the most common adverse event. Polypectomy with a cold snare (CSP) has been increasingly utilized in recent years, but further evidence is required to establish its safety of gastric polypectomy. The aim of this study was to compare intraprocedure and postprocedure adverse events in patients who underwent CSP vs conventional hot snare polypectomy (HSP) of gastric polyps. Electronic medical records and endoscopy reports of all patients who underwent gastric polypectomy at the Kaohsiung Chang Gung Memorial Hospital between January 2019 and June 2021 were retrospectively reviewed. Data on patient demographics, polyp characteristics, method of polypectomy, and adverse events were collected. A total of 193 gastric polyps removed from 111 patients were reviewed. The mean age was 58.1 years, and 74.8% were female. Of these, 142 polyps were removed from 78 patients by HSP, compared to 51 polyps removed from 33 patients by CSP. The mean polyp size was 7.9 mm in the HSP group and 7.5 mm in the CSP group (P = .306). Nine patients (11.5%) from HSP group and 5 (15.2%) from CSP group presented with immediate bleeding that were managed by endoscopic treatment (P = .755). There was no serious adverse event, such as delayed bleeding or perforation, occurred in this study. In multivariate logistic regression, only the number of polyps resected >1 was identified as independent risk factor of immediate post‐polypectomy bleeding. Therefore, the safety of CSP was non‐inferior to HSP and could be an additional option for removal of gastric polyps ≤10 mm.
Yoichiro Nambu and the Concept of Apparent Vacuum: A Stepping Stone to Spontaneous Symmetry Breaking
Authors: Gaudenzi Rocco
Published: December 2022

The processes of discovery and concept formation are as mysterious as they are intriguing. In this article, they give a sketch of Yoichiro Nambu's long path toward the concept of spontaneous symmetry breaking focusing on the pivotal role played by his notion of “apparent vacuum”. This is instrumental to draw the original analogical correspondence between the vacuum of quantum field theory and solid matter, which, transforming over time in its use and purpose, enables Nambu to arrive at the concept of spontaneous symmetry breaking. From this historical episode they draw a methodological lesson and emphasise the broad cultural influences that conditioned the conceptual development.
Structurally Diverse Bench‐Stable Nickel(0) Pre‐Catalysts: A Practical Toolkit for In Situ Ligation Protocols**
Authors: Tran Van T. , Kim Nana , Rubel Camille Z. , Wu Xiangyu , Kang Taeho , Jankins Tanner C. , Li Zi‐Qi , Joannou Matthew V. , Ayers Sloan , Gembicky Milan , Bailey Jake , Sturgell Emily J. , Sanchez Brittany B. , Chen Jason S. , Lin Song , Eastgate Martin D. , Wisniewski Steven R. , Engle Keary M.
Published: December 2022

A flurry of recent research has centered on harnessing the power of nickel catalysis in organic synthesis. These efforts have been bolstered by contemporaneous development of well‐defined nickel (pre)catalysts with diverse structure and reactivity. In this report, we present ten different bench‐stable, 18‐electron, formally zero‐valent nickel–olefin complexes that are competent pre‐catalysts in various reactions. Our investigation includes preparations of novel, bench‐stable Ni(COD)(L) complexes (COD=1,5‐cyclooctadiene), in which L=quinone, cyclopentadienone, thiophene‐S‐oxide, and fulvene. Characterization by NMR, IR, single‐crystal X‐ray diffraction, cyclic voltammetry, thermogravimetric analysis, and natural bond orbital analysis sheds light on the structure, bonding, and properties of these complexes. Applications in an assortment of nickel‐catalyzed reactions underscore the complementary nature of the different pre‐catalysts within this toolkit.
Das Alarmon Diadenosintetraphosphat als Cosubstrat für die AMPylierung von Proteinen
Authors: Frese Matthias , Saumer Philip , Yuan Yizhi , Herzog Doreen , Höpfner Dorothea , Itzen Aymelt , Marx Andreas
Published: December 2022

Diadenosinpolyphosphate (ApnAs) sind nicht‐kanonische Nukleotide, deren zelluläre Konzentrationen bei Stress als Signal eines homöostatischen Ungleichgewichts ansteigen und die daher als Alarmone bezeichnet werden. Ihre zelluläre Rolle ist nur unzureichend verstanden. In dieser Arbeit haben wir untersucht, ob ApnAs als Cosubstrat für die AMPylierung von Proteinen verwendet werden. AMPylierung ist eine posttranslationale Modifikation, bei der Adenosinmonophosphat (AMP) auf Proteine übertragen wird. Beim Menschen ist die AMPylierung, die durch den AMPylator FICD mit ATP als Cosubstrat vermittelt wird, eine Reaktion auf ER‐Stress. Hier zeigen wir, dass Ap4A für die AMPylierung durch FICD effizient verwendet wird. Durch chemische Proteomik unter Verwendung einer neuen chemischen Sonde haben wir neue potenzielle AMPylierungsziele identifiziert. Interessanterweise haben wir festgestellt, dass sich die AMPylierungsziele von FICD je nach Nukleotid‐Cosubstrat unterscheiden können. Diese Ergebnisse könnten darauf hindeuten, dass sich die Signalübertragung bei erhöhten Ap4A‐Spiegeln während zellulärem Stress von derjenigen bei niedrigen Ap4A Konzentrationen unterscheidet, und damit eine Reaktion auf extrazelluläre Signale ermöglicht.
Three‐Component Synthesis of Dioxaphosphorane‐Fused Diphosphacycles Exhibiting Unique Dynamic Fluorescence “On/Off” Properties
Authors: Li Chenchen , Huang Haiyang , Sun Longgen , Huang Mingqing , Ding Haixin , Bai Jiang , Cao Ban‐Peng , Xiao Qiang
Published: December 2022

Rigidly planar polycyclic phosphacycles featuring an internal dioxaphosphorane are promising photofunctional materials. However, the lack of efficient synthetic methods resulted in limited structural diversities which significantly hampered extensive study. Herein, we report a straightforward three‐component synthesis of novel dioxaphosphorane‐fused diphosphacycles with distinctive photophysical properties. Control experiments and theory calculations were performed to account for a plausible reaction mechanism. We also systematically investigated the structure‐property relationships of these unprecedented platforms by combining experiments (X‐ray analysis, optical and redox properties) and theoretical computations. Based on their unique structure and properties, a novel fluorescent switch for pH sensing was revealed by a dynamic ring‐opening/ring‐closing process.
Preparation of functionalZnOnanoparticles and their application asUVphotosensitizer and reinforcing agent for waterborne polyurethane acrylate composite coating
Authors: Shen Yun , Liu Jin , Li Zhen , Luo Jialu , Wang Shiwu , Tang Jinyang , Wang Ping , Wang Di , Wang Xianbiao , Hu Xianhai , Zhang Fengjun
Published: December 2022

Functional inorganic ZnO nanoparticles (ZnO NPs) have been designed and prepared, used as UV photosensitizers and reinforcing agents applied to waterborne polyurethane acrylate (WPUA) composite coating. The ZnO NPs are modified by the silane coupling agent, and the WPUA@ZnO NP composite coatings photoinitiated with different ZnO NP contents are prepared, their structure and properties are characterized by FTIR, XRD, SEM, BET, TG, and pencil hardness tester. The UV absorption of the inorganic photosensitizer ZnO NPs and the organic photosensitizer 1‐hydroxycyclohexyl phenone (184) in the composite coating is tested and analyzed separately by DRS UV‐3600 spectrophotometer. Three fabric‐based materials (cotton, PET, and PP) are dipped into the WPUA@184 composite emulsions and WPUA@ZnO NP composite emulsions, and their mechanical properties, water absorption and water contact angle (WCA) are tested. The results show that the absorbance of the WPUA@ZnO NP composite coating is 40.28% higher than that of the WPUA@184 composite coating. Compared with the PP‐WPUA@184 coatings, the stress of the PP‐WPUA@ZnO NP coatings increases by 41.19% and the strain increases by 34.39%. The water absorption of the cotton and PET coatings decreases under the three conditions. Their hydrophilicity and hydrophobicity are changed, and the fabric‐based coatings can be tuned for interfacial properties.
Application of HoloLens‐based augmented reality and three‐dimensional printed anatomical tooth reference models in dental education
Authors: Grad Piotr , Przeklasa‐Bierowiec Anna M. , Malinowski Krzysztof P. , Witowski Jan , Proniewska Klaudia , Tatoń Grzegorz
Published: December 2022

Tooth anatomy is fundamental knowledge used in everyday dental practice to reconstruct the occlusal surface during cavity fillings. The main objective of this project was to evaluate the suitability of two types of anatomical tooth reference models used to support reconstruction of the occlusal anatomy of the teeth: (1) a three‐dimensional (3D)‐printed model and (2) a model displayed in augmented reality (AR) using Microsoft HoloLens. The secondary objective was to evaluate three aspects impacting the outcome: clinical experience, comfort of work, and other variables. The tertiary objective was to evaluate the usefulness of AR in dental education. Anatomical models of crowns of three different molars were made using cone beam computed tomography image segmentation, printed with a stereolithographic 3D‐printer, and then displayed in the HoloLens. Each participant reconstructed the occlusal anatomy of three teeth. One without any reference materials and two with an anatomical reference model, either 3D‐printed or holographic. The reconstruction work was followed by the completion of an evaluation questionnaire. The maximum Hausdorff distances (Hmax) between the superimposed images of the specimens after the procedures and the anatomical models were then calculated. The results showed that the most accurate but slowest reconstruction was achieved with the use of 3D‐printed reference models and that the results were not affected by other aspects considered. For this method, the Hmax was observed to be 630 μm (p = 0.004). It was concluded that while AR models can be helpful in dental anatomy education, they are not suitable replacements for physical models.
Metal cofactor regulation combined with rational genetic engineering of Schizochytrium sp. for high‐yield production of squalene
Authors: Xu Ying‐shuang , Ma Wang , Li Jin , Huang Peng‐wei , Sun Xiao‐Man , Huang He
Published: December 2022

The increasing market demand for squalene requires novel biotechnological production platforms. Schizochytrium sp. is an industrial oleaginous host with a high potential for squalene production due to its abundant native acetyl‐CoA pool. We first found that iron starvation led to the accumulation of 1.5 g/L of squalene by Schizochytrium sp., which was 40‐fold higher than in the control. Subsequent transcriptomic and lipidomic analyses showed that the high squalene titer is due to the diversion of precursors from lipid biosynthesis and increased triglycerides (TAG) content for squalene storage. Furthermore, we constructed the engineered acetyl‐CoA C‐acetyltransferase (ACAT)‐overexpressing strain 18S::ACAT, which produced 2.79 g/L of squalene, representing an 86% increase over the original strain. Finally, a nitrogen‐rich feeding strategy was developed to further increase the squalene titer of the engineered strain, which reached 10.78 g/L in fed‐batch fermentation, a remarkable 161‐fold increase over the control. To our best knowledge, this is the highest squalene yield in thraustochytrids reported to date.
Countercurrent chromatography as a frontier tool to discover new mechanical roles in liquid–liquid phase separation of cellular biomolecules
Authors: Shinomiya Kazufusa , Iijima Hiroshi , Ito Yoichiro
Published: December 2022

The development of countercurrent chromatography (CCC) technology enabled us to achieve higher peak resolutions and more shortened separation times even for protein separation using aqueous two‐phase solvent systems composed of polyethylene glycol and inorganic salts (or dextrans). By eliminating the solid support matrix, all analytes can be recovered from the coiled column after the separation is completed. Recently, it has been found that droplets of biomolecules formed by liquid–liquid phase separation in cells closely relate to the transcription, regulation of signal transduction, and formation of amyloids. Meanwhile, although CCC is a separation technique based on liquid–liquid partitioning of analytes between two immiscible phases, the mechanism of separation could suggest some idea concerning the formation of biomolecule droplets in cells. This article describes the recent advances in the CCC apparatus, the coiled separation column, the choice of a suitable two‐phase solvent system, and the application to separation and purification of bioactive macromolecules such as proteins and enzymes, and also discusses the possibility of CCC as a tool to reveal new mechanical roles of biomolecule droplets in the cellular environments.
Analysis of emotions in the use of augmented reality technologies in education: A systematic review
Authors: Gómez‐Rios Mónica D. , Paredes‐Velasco Maximiliano , Hernández‐Beleño Ruben D. , Fuentes‐Pinargote José A.
Published: December 2022

Currently, the availability and usefulness of computer applications developed supporting the teaching–learning process have increased and are progressively being used in different branches of education. Given the importance of emotions in learning, it is appropriate to review the influence of the use of technology in this field. Out of the many existing technologies, augmented reality (AR) has been of great interest to this study due to its great potential in learning. Therefore, the present study carries out a systematic mapping, whose objective is to review how AR technology influences the emotional state of the student in the learning process. The study indicates that the application of AR technology has both advantages and disadvantages. On the one hand, the use of AR on students produces enjoyment and interest due to visual feedback provided by AR, enthusiasm about the use of innovative technology tools, and curiosity when they view and interact with virtual objects in 3D. The attractive visualizations used and feedback generated by AR applications can reduce the cognitive load and increase student motivation in the learning process. On the other hand, AR may present some negative aspects, such as ergonomic problems, which produce that users prone to dizziness or nausea may reject the use of AR devices and a complex interaction when users must use multiple devices. Besides this, it should not be forgotten that their application may entail technological requirements and associated costs that may be difficult for some schools to afford.
Total Synthesis and Bioactivity Evaluation of Hydrophobic Microcionamide‐Inspired Peptides
Authors: Inocentes Carl Rogel V. , Salvador‐Reyes Lilibeth A. , Villaraza Aaron Joseph L.
Published: December 2022

In this report, we describe the facile synthesis of four microcionamide‐inspired peptides where the atypical 2‐phenylethylenamine (2‐PEA) functional group in the marine natural product, microcionamide A, was replaced with a similarly‐aromatic but more easily incorporated tryptophan (Trp) residue. Compounds 1–4 were synthesized using a standard Fmoc‐based solid‐phase synthesis strategy followed by iodine‐mediated on‐resin cyclization for disulfide‐bridged compounds 1–3. Compound 1 showed antimicrobial activity against Staphylococcus aureus and Pseudomonas aeruginosa, with minimum inhibitory concentrations (MICs) of 9.1 μM and 15 μM, respectively. The inactivity of alanine analogs 2–4 against these pathogens suggests that the N‐terminal Val, the cyclic scaffold, the contiguous Ile residues, and consequently, the hydrophobicity of compound 1 are essential for antibacterial activity. Compound 1 also favorably exhibited minimal cytotoxicity against normal mammalian cell lines. In summary, we have synthesized an analog of microcionamide A where replacement of the 2‐PEA moiety with a Trp residue retained the antibacterial activity and with favorably low cytotoxicity.
Comparison of Differences in Chemical Composition and Related Antioxidant Activity of Snow Lotus from Different Origins
Authors: Zhang Huirong , Li Xuan , Meng Xianyao , Ling Xiao , Li Shuowen , Song Guanjie , Li Li
Published: December 2022

The snow lotus is an endangered traditional Chinese medicinal herb. Saussurea involucrata, Saussurea laniceps, and Saussurea medusa, the three main snow lotus species (five herbs and two S. involucrata cell cultures), were selected for this study. Snow lotus (XLs) was extracted using 75 % (v/v) ethanol. Two reversed phase‐high performance liquid chromatography‐diode array detector methods were developed and validated for the determination of 10 representative components in XLs. The antioxidant efficacy of XLs and their components was investigated using DPPH, ABTS free radical scavenging, and ROS inhibition experiments. The results showed that the IC50 for DPPH scavenging ranged from 0.06–0.29 mg/mL for XLs and from 0.13–0.63 mg/mL for ABTS, and could downregulate ROS to varying degrees. The results of the antioxidant activity showed that rutin, quercetin, and isochlorogenic acid A contributed to the antioxidant capacity of XLs. The high content and activity of the cell cultures indicate that they can serve as an effective alternative to snow lotus, thus providing a theoretical basis for the selection of herbs and cell cultures to fulfil various needs.
Effects of Cinobufagin on the Proliferation, Migration, and Invasion of H1299 Lung Cancer Cells
Authors: Sun Mingna , Huang Dongyu , Liu Yun , Chen Haifang , Yu Hua , Zhang Guobin , Chen Qilei , Chen Hubiao , Zhang Jianye
Published: December 2022

Cinobufagin (CB), with its steroidal nucleus structure, is one of the major, biologically active components of Chan Su. Recent studies have shown that CB exerts inhibitory effects against numerous cancer cells. However, the effects of CB regarding the metastasis of non‐small cell lung cancer (NSCLC) and the involved mechanisms need to be further studied. The purpose of the present study aimed to report the inhibitory function of CB against proliferation and metastasis of H1299 cells. CB inhibited proliferation of H1299 lung cancer cells with an IC50 value of 0.035±0.008 μM according to the results of MTT assays. Antiproliferative activity was also observed in colony forming cell assays. In addition, 5‐ethynyl‐2’‐deoxyuridine (EdU) retention assays revealed that CB significantly inhibited the rate of DNA synthesis in H1299 cells. Moreover, results of the scratch wound healing assays and transwell migration assays displayed that CB exhibited significant inhibition against migration and invasion of H1299 cells. Furthermore, CB could concentration‐dependently reduce the expression of integrin α2, β‐catenin, FAK, Src, c‐Myc, and STAT3 in H1299 cells. These western blotting results indicated that CB might target integrin α2, β‐catenin, FAK and Src to suppress invasion and migration of NSCLC, which was consistent with the network pharmacology analysis results. Collectively, findings of the current study suggest that CB possesses promising activity against NSCLC growth and metastasis.
Long‐term outcomes following intravascular lithotripsy (IVL) for calcified coronary lesions: A Real‐World Multicenter European Study
Authors: Basavarajaiah Sandeep , Ielasi Alfonso , Raja Waseem , Naneishvili Tamara , Testa Luca , Popolo Rubbio Antonio , Mastrangelo Angelo , Bartorelli Antonio L. , Bhatia Gurbir , Choudhury Anirban , Sundara‐Raman Ajay , Buono Andrea , Sharma Vinoda , Cortese Bernardo , Marchesi Alessia , Pitt Michael , Raju Prashanth , Wassef Nancy
Published: December 2022

Objectives

To explore the long‐term clinical outcomes following intravascular lithotripsy (IVL) in calcified coronary lesions from a real‐world population.

Background

IVL is a relatively new but promising modality for treating coronary calcified lesions, but there is a dearth of long‐term outcome data from real‐world patients.

Methods

This was a multicenter, observational study in which we enrolled all patients treated with IVL from November 2018 to February 2021 from eight centers in Europe and the United Kingdom. Procedural success, complications, and clinical outcomes (cardiac death, target vessel myocardial infarction [TVMI], target lesion revascularization [TLR], and MACE [major adverse cardiac events, the composite of cardiac death, TVMI, and TLR]) were assessed.

Results

In total, 273 patients with a mean age of 72 ± 9.1 years were treated with IVL. Major comorbidities included diabetes mellitus (n = 110, 40%) and chronic kidney disease (n = 45, 16%). Acute coronary syndrome accounted for 48% (n = 132) of patients, while 52% (n = 141) had stable angina. De novo lesions and in‐stent restenosis accounted for 79% and 21% of cases, respectively. Intravascular imaging was used in 33% (n = 90) of patients. An upfront IVL strategy was adopted in 34% (n = 92), while the rest were bailout procedures. Adjuvant rotational atherectomy (“RotaTripsy”) was required in 11% (n = 31) of cases. The procedural success was 99%. During a median follow‐up of 687 days (interquartile range: 549–787), cardiac death occurred in 5% (n = 14), TVMI in 3% (n = 8), TLR in 6% (n = 16), and MACE rate was 11% (n = 30).

Conclusion

This is the largest multicenter registry with a long‐term follow‐up showing the remarkably high procedural success of IVL use in calcified coronary lesions with low rates of hard endpoints and MACE.
Incidental detection of localized prostate cancer with low PSA by computed tomography scan: A report of two cases
Authors: Bilim Vladimir , Watanabe Azuma , Horigome Ryoko , Ito Susumu , Hoshi Senji
Published: December 2022

Serum prostate‐specific antigen (PSA) levels play an important role in the screening and diagnosis of prostate cancer (PCa). The recommended PSA cut‐off in PCa screening is 4 ng/ml. We report two cases of localized PCa with low PSA levels that were incidentally found by computed tomography (CT) performed for another disease.
Catalytic Conversion of Glycerol to Acetol and Acrolein Using Metal Oxides: Surface Reactions, Prospects and Challenges
Authors: Fernandes Barbosa Felipe , Pinheiro Braga Tiago
Published: December 2022

Glycerol dehydration to acetol and acrolein is an interesting reaction pathway for conversion of biomass‐derived products. However, they undergo extensive deactivation due to coke deposition and sintering, requiring the design of stable catalysts. The oxides stand out due to their natural abundance, simple synthesis, low cost and tunable acidic, basic and redox properties. The different studies apply these oxides as pure phase, supported, mixed or doped. However, it is observed that despite the large number of applied oxides in glycerol conversion, few works describe in detail about more complex oxides such as ferrites, hexaferrites, perovskites, among others. This review reports different acid oxides in the glycerol dehydration to acetol and acrolein as well as basic and redox oxides, describing a historical perspective, showing the most important theoretical foundations of heterogeneous catalysis to comprehend surface reactions and mentioning the different possibilities to understanding the different reactional pathway, highlighting the proposal mechanisms that explain the participation of the different active sites on the surface reactions. Furthermore, the sequence of reactions which show the origin of the coke deposited on catalyst surface was presented, emphasizing the main challenges. The role of the Lewis and Brønsted acid‐base sites present in the metal oxides and their interactions on glycerol dehydration were described, providing a direction to design catalysts for selective dehydration reactions resistant against coke deposition and sintering.
Hot Spot‐Dependent Zeolitization of NaY Precursor Gel with High Dissipation Factor in Microwave Heating
Authors: Alimoradi Ahmad , Behin Jamshid
Published: December 2022

The thermal effect of microwave heating was investigated in a NaY aged precursor gel with high dissipation factor. The influence of power, position, and geometry of the cylindrical vessel was evaluated on hot spots and zeolite formation in a microwave oven. Higher powers and hot spots at higher temperatures led to more thermal heterogeneity and faster zeolite formation near the wall. The highest temperature gradient was achieved in the vessel which was placed off‐center on a turntable with the farthest distance from the center, and the zeolite formation occurred faster when it was in the center. The highest temperature gradient does not guarantee faster zeolite formation and higher crystallinity, while the nonthermal effects were significant and led to zeolite formation in the center of the gel at low temperatures.
Photocatalytic Synthesis of Acetals and Ketals from Aldehydes and Silylenolethers without the Use of Acids
Authors: Steuernagel Desirée , Wagenknecht Hans‐Achim
Published: December 2022

Acetals and ketals are among the most important protecting groups for carbonyl compounds. A new method for acetalization and ketalization by means of photoredox catalysis has been developed. A biscyanolated perylene bisimide is used as an electron‐poor photocatalyst, together with green light (525 nm LED). Silylenolethers derived from aldehydes react efficiently to give acetals in good to excellent yields. A broad substrate range was shown with respect to both the aldehydes and the alcohols. The functional group tolerance is high; in particular, acid‐ and hydrogen‐labile protecting groups are tolerated. Aldehydes can also be directly and selectively converted into the respective acetals. Only ketones must be converted to their silylenolethers before ketalization. This photocatalytic method works without any use of acids or photoacids, and does not need any additives or H‐atom transfer reagents. Hence, it broadens the substrate scope and repertoire of photoredox catalysis with respect to carbonyl chemistry.
Schema therapy for personality disorders in autistic adults: Results of a multiple case series study
Authors: Vuijk Richard , Deen Mathijs , Geurts Hilde M. , Arntz Arnoud
Published: December 2022

Background

To our knowledge, treatment of personality disorder (PD) comorbidity in autistic adults is understudied and is still in its infancy. We investigated the effectiveness of schema therapy (ST) for autistic adults with PD.

Method

A multiple case series design with 12 adults (aged 19–62 years) was used with baseline, exploration, ST (with cognitive behavioural and experiential techniques) and follow‐up conditions. Participants rated dysfunctional core beliefs (primary outcome) weekly during baseline and treatment and monthly during follow‐up. Schema modes, general mental health symptoms, social responsiveness, PD traits and common Axis‐I mental disorders were assessed.

Results

Mixed model analyses indicated significant effects of ST with medium to large effect sizes for dysfunctional core beliefs, functional schema modes, PD traits, general mental health symptoms and social responsiveness. Results remained stable during follow‐up.

Conclusion

The results of this study indicate that ST might be effective in decreasing dysfunctional core beliefs, PD traits and general mental health symptoms and in increasing functional schema modes and social responsiveness. Improvements persisted over time. ST seems effective in treating PD in autistic individuals.
Recent Progress in Electrochemical Nitrogen Reduction on Transition Metal Nitrides
Authors: Yang Xiaoju , Xu Bingjun , Chen Jingguang G. , Yang Xuan
Published: December 2022

Distributed electrochemical nitrogen reduction reaction (ENRR) powered by renewable energy for the on‐site production of ammonia is an attractive alternative to the industrial Haber–Bosch process, which is responsible for roughly 2 % of global energy consumption. In this Review, we summarize recent progress in the ENRR catalyzed by transition metal nitrides (TMNs). The unique electronic structures of TMNs make them promising ENRR catalysts for active and selective ammonia production, which have been predicted theoretically and demonstrated experimentally. Reaction pathways and deactivation mechanisms of the ENRR on different TMNs are surveyed, and current understanding of structure‐activity relations is discussed. To develop highly active, selective, and stable TMN catalysts for industrial‐scale ENRR, membrane electrode assembly configuration is recommended in catalyst evaluation. Furthermore, we highlight the importance of developing mechanistic understanding on ENRR with different operando spectroscopic techniques.
Electrochemical Incorporation of Electrophiles into the Biomass‐Derived Platform Molecule 5‐(Chloromethyl)furfural
Authors: Ling Huitao , Miao Haoqian , Cao Zhiling , Mascal Mark
Published: December 2022

The 5‐(chloromethyl)furfural (CMF) derivative ethyl 5‐(chloromethyl)furan‐2‐carboxylate undergoes two‐electron electrochemical reduction in a simple, undivided cell to give the corresponding furylogous enolate anion, which can either be quenched with carbon dioxide to give a 5‐(carboxymethyl)furan‐2‐carboxylate or with hydrogen ion to give a 5‐methylfuran‐2‐carboxylate, thereby expanding the derivative scope of CMF as a biobased platform molecule.
Novel Sb−SnO2 Electrode with Ti3+ Self‐Doped Urchin‐Like Rutile TiO2 Nanoclusters as the Interlayer for the Effective Degradation of Dye Pollutants
Authors: Man Shuaishuai , Yin Zehao , Zhou Shanbin , Pameté Emmanuel , Xu Lei , Bao Hebin , Yang Wenjing , Mo Zhihong , Presser Volker , Li Xueming
Published: December 2022

Stable and efficient SnO2 electrodes are very promising for effectively degrading refractory organic pollutants in wastewater treatment. In this regard, we firstly prepared Ti3+ self‐doped urchin‐like rutile TiO2 nanoclusters (TiO2‐xNCs) on a Ti mesh substrate by hydrothermal and electroreduction to serve as an interlayer for the deposition of Sb−SnO2. The TiO2‐xNCs/Sb−SnO2 anode exhibited a high oxygen evolution potential (2.63 V vs. SCE) and strong ⋅OH generation ability for the enhanced amount of absorbed oxygen species. Thus, the degradation results demonstrated its good rhodamine B (RhB), methylene blue (MB), alizarin yellow R (AYR), and methyl orange (MO) removal performance, with the rate constant increased 5.0, 1.9, 1.9, and 4.7 times, respectively, compared to the control Sb−SnO2 electrode. RhB and AYR degradation mechanisms are also proposed based on the results of high‐performance liquid chromatography coupled with mass spectrometry and quenching experiments. More importantly, this unique rutile interlayer prolonged the anode lifetime sixfold, given its good lattice match with SnO2 and the three‐dimensional concave–convex structure. Consequently, this work paves a new way for designing the crystal form and structure of the interlayers to obtain efficient and stable SnO2 electrodes for addressing dye wastewater problems.
A meta‐analysis of mother–child synchrony in respiratory sinus arrhythmia and contextual risk
Authors: Miller Jonas G. , Armstrong‐Carter Emma , Balter Leah , Lorah Julie
Published: December 2022

Biobehavioral frameworks of attachment posit that mother–child dyads engage in physiological synchrony that is uniquely formative for children's neurobiological, social, and emotional development. Much of the work on mother–child physiological synchrony has focused on respiratory sinus arrhythmia (RSA). However, the strength of the existing evidence for mother–child RSA synchrony during interaction is unclear. Using meta‐analysis, we summarized results from 12 eligible studies comprising 14 samples and 1201 children ranging from infancy to adolescence (Mage = 5.68 years, SD = 4.13, range = 0.4–17 years) and their mothers. We found that there was a statistically significant, albeit modest, positive within‐dyad association between mother and child fluctuations in RSA. There also was evidence for significant heterogeneity across studies. Less mother–child RSA synchrony was observed in high‐risk samples characterized by clinical difficulties, history of maltreatment, or socioeconomic disadvantage. We did not find that mother–child RSA synchrony significantly differed by task context, mean child age, or by epoch length for computing RSA. Collectively, these findings suggest that mother–child dyads show correspondence in their fluctuations in RSA, and that RSA synchrony is disrupted in high‐risk contexts. Future directions and implications for the study of parent–child physiological synchrony are discussed.
The relationship of social support perceived by mothers and fathers and dyadic adjustment with maternal and paternal attachment in the postpartum period
Authors: Kekeç Havva Tokgöz , Dikmen Hacer Alan
Published: December 2022

This descriptive, correlational, and cross‐sectional study included mothers (n = 170) and fathers (n = 173) with 6‐ to 12‐month‐old babies. A personal information form, the Multidimensional Scale of Perceived Social Support (MSPSS), the Revised Dyadic Adjustment Scale (RDAS), the Maternal Attachment Inventory (MAI), and the Postnatal Paternal–Infant Attachment Questionnaire (PPAQ) were used to gather information. Mothers’ median scores were 64 (27–84) for MSPSS, 57 (21–69) for RDAS, and 102 (92–104) for MAI. Fathers’ median scores were 53 (24–84) for MSPSS, 57 (40–69) for RDAS, and 84 (57–94) for PPAQ. In mothers, a significant, moderate, positive correlation was found between the median scores of MSPSS and RDAS (r = .521; p < .001) and MAI (r = .362; p < .001). This relationship was also the same for the RDAS and MAI median scores (r = .299; p < .001). For fathers, a significant, low‐level, positive correlation was found between median scores of MSPSS and RDAS (r = .53; p = .044) and PPAQ (r = .164; p = .031). A significant, moderate, positive correlation was also found between RDAS and PPAQ median scores (r = .468; p < .001). This study found that baby attachment increases with increasing social support for mothers and fathers and dyadic adjustment. In postnatal follow‐ups, women's health nurses and midwives should assess the social support, dyadic adjustment, and attachment levels of mothers and fathers.
Driving license regranting: Hair EtG, serum CDT, and the role of sociodemographic and medicolegal variables
Authors: Cinquetti Alessandro , Terranova Claudio , Aprile Anna , Favretto Donata
Published: December 2022

Driving under the influence (DUI) of alcohol is a road safety problem. Driving license regranting is based on the evaluation of medicolegal and toxicological variables that may include serum carbohydrate‐deficient transferrin (CDT) and hair ethyl glucuronide (hEtG).

The aim of the study was to compare the diagnostic performance of CDT and hEtG in a population of DUI offenders. Other factors potentially associated with heavy alcohol use were explored. The population included DUI offenders examined during the period of January 1, 2019, through June 30, 2022. Sociodemographic, medicolegal, and toxicological variables were collected. CDT in serum and EtG in head hair were determined in all subjects. Excessive alcohol intake (hEtG ≥30 pg/mg) was considered cause for unfitness to drive. Cohen's kappa coefficient was calculated. Descriptive analyses were performed using chi‐square and Mann–Whitney tests. Variables significantly different between the groups were included in a multivariate binary logistic regression model. The sample encompassed 838 subjects (case group: 179, comparison group: 689). CDT exhibited poor agreement (κ = 0.053) with hEtG as the reference test. Lower education, age at DUI, heavy smoking, and GGT levels associated with heavy alcohol consumption differentiated the two groups. For DUI offenders, the use of CDT to assess heavy alcohol consumption is limited, possibly due to the time‐window assessed, the time required for normalization, and the different amount of ethanol needed to reach higher CDT levels, in comparison to hEtG; thus, hEtG assessment is strongly recommended for this population. Heavy smoking, GGT, education, and age could be related to heavy alcohol consumption and higher risk of DUI.
Time‐calibrated phylogeny and ecological niche models indicate Pliocene aridification drove intraspecific diversification of brushtail possums in Australia
Authors: Carmelet‐Rescan David , Morgan‐Richards Mary , Pattabiraman Nimeshika , Trewick Steven A.
Published: December 2022

Major aridification events in Australia during the Pliocene may have had significant impact on the distribution and structure of widespread species. To explore the potential impact of Pliocene and Pleistocene climate oscillations, we estimated the timing of population fragmentation and past connectivity of the currently isolated but morphologically similar subspecies of the widespread brushtail possum (Trichosurus vulpecula). We use ecological niche modeling (ENM) with the current fragmented distribution of brushtail possums to estimate the environmental envelope of this marsupial. We projected the ENM on models of past climatic conditions in Australia to infer the potential distribution of brushtail possums over 6 million years. D‐loop haplotypes were used to describe population structure. From shotgun sequencing, we assembled whole mitochondrial DNA genomes and estimated the timing of intraspecific divergence. Our projections of ENMs suggest current possum populations were unlikely to have been in contact during the Pleistocene. Although lowered sea level during glacial periods enabled connection with habitat in Tasmania, climate fluctuation during this time would not have facilitated gene flow over much of Australia. The most recent common ancestor of sampled intraspecific diversity dates to the early Pliocene when continental aridification caused significant changes to Australian ecology and Trichosurus vulpecula distribution was likely fragmented. Phylogenetic analysis revealed that the subspecies T. v. hypoleucus (koomal; southwest), T. v. arnhemensis (langkurr; north), and T. v. vulpecula (bilda; southeast) correspond to distinct mitochondrial lineages. Despite little phenotypic differentiation, Trichosurus vulpecula populations probably experienced little gene flow with one another since the Pliocene, supporting the recognition of several subspecies and explaining their adaptations to the regional plant assemblages on which they feed.
Effects of dry spells on soil moisture and yield anomalies at a montane managed grassland site: A lysimeter climate experiment
Authors: Forstner Veronika , Vremec Matevž , Herndl Markus , Birk Steffen
Published: December 2022

The frequency and severity of droughts in the Alps are expected to increase due to rising air temperatures and changes in precipitation regimes. Although biomass production in humid mountain areas tends to be energy limited rather than water limited, an increase in droughts may have negative impacts on the water availability and thus agricultural yields. This study aimed to analyse the impacts of dry spells on soil moisture and yield anomalies at a montane permanent grassland site in Austria. Dry spells in the time period from 2018 to 2020 were identified using the Standardized Precipitation Index, Palmer Drought Severity Index and the Soil Moisture Anomaly Index. Data from a lysimeter climate experiment were used to evaluate drought impacts on soil water storage and grassland yield under ambient and manipulated conditions. The results indicated the occurrence of three extreme droughts between 2018 and 2020. Although the studied grassland is generally considered a nonwater‐limited ecosystem, the most extreme drought in summer 2019 caused severe and extreme yield anomalies under ambient and heated conditions. Only mild yield anomalies were observed on plots with elevated atmospheric carbon dioxide concentration. This drought‐mitigating effect was attributed to the water savings enabled by partial stomatal closure under elevated CO2. The shorter dry spells in spring and late summer 2018 led to more diverse effects; mildly to moderately negative yield anomalies were found on the heated plots, whereas the anomalies tended to be less negative or even positive on plots under ambient temperature. In contrast, some time periods without water stress showed positive effects of heating on yield. These findings suggest that drought impacts on a humid montane grassland depend on both water availability and air temperature. Higher air temperature can have positive effects on yield if the ecosystem is energy limited. However, global warming suggests a tendency from energy to water limitation, in which the increased evaporative demand of the atmosphere aggravates soil moisture droughts and thus has potentially negative effects on yield.
Total Synthesis of a Pentasaccharide O‐Glycan from Acinetobacter baumannii
Authors: Njeri Dancan K. , Ragains Justin R.
Published: December 2022

Acinetobacter baumannii is a Gram‐negative bacteria associated with drug resistance and infection in healthcare settings. An understanding of both the biological roles and antigenicity of surface molecules of this organism may provide an important step in the prevention and treatment of infection through vaccination or the development of monoclonal antibodies. With this in mind, we have performed the multistep synthesis of a conjugation‐ready pentasaccharide O‐glycan from A. baumannii with a longest linear synthetic sequence of 19 steps. This target is particularly relevant due to its role in both fitness and virulence across an apparently broad range of clinically relevant strains. Synthetic challenges include formulating an effective protecting group strategy as well as the installation of a particularly difficult glycosidic linkage between the anomeric position of a 2,3‐diacetamido‐2,3‐dideoxy‐D‐glucuronic acid and the 4‐position of D‐galactose.
Synthesis of 2‐Arylpyrimido[4,5‐b]porphyrins via Cyclization Reaction with Ammonia
Authors: Singh Abhijeet , Singh Jagmeet , Nath Mahendra
Published: December 2022

A facile synthetic strategy for the synthesis of a new series of β,β’‐fused 2‐arylpyrimido[4,5‐b]porphyrins has been developed by using condensation cyclization reaction with ammonia. 2‐Aroylamino‐3‐formylporphyrins were synthesized from 2‐aroylaminoporphyrins under Vilsmeier–Haack reaction conditions, which were then efficiently converted to the corresponding 2‐arylpyrimido[4,5‐b]‐5,10,15,20‐tetrakis(4‐chlorophenyl)‐porphyrins via a condensation cyclization reaction. The nickel(II), copper(II), free‐base and zinc(II) analogues of 2‐arylpyrimido[4,5‐b]porphyrins were successfully synthesized in 65–72 % yields and structurally characterized on the basis of spectral data analysis. On photophysical evaluation, 2‐arylpyrimido[4,5‐b]porphyrins demonstrated a 12–19 nm bathochromic shift in their electronic absorption spectra and up to 10 nm red shift in their emission spectra as compared to the simple meso‐(tetrakis(4‐chlorophenyl))porphyrins due to the extended π‐conjugation.
From Protein Sequence to Structure: The Next Frontier in Cross-Species Extrapolation for Chemical Safety Evaluations
Authors: LaLone Carlie A. , Blatz Donovan J. , Jensen Marissa A. , Vliet Sara M. F. , Mayasich Sally , Mattingly Kali Z. , Transue Thomas R. , Melendez Wilson , Wilkinson Audrey , Simmons Cody W. , Ng Carla , Zhang Chengxin , Zhang Yang
Published: December 2022

Computational screening for potentially bioactive molecules using advanced molecular modeling approaches including molecular docking and molecular dynamic simulation is mainstream in certain fields like drug discovery. Significant advances in computationally predicting protein structures from sequence information have also expanded the availability of structures for nonmodel species. Therefore, the objective of the present study was to develop an analysis pipeline to harness the power of these bioinformatics approaches for cross-species extrapolation for evaluating chemical safety. The Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool compares protein-sequence similarity across species for conservation of known chemical targets, providing an initial line of evidence for extrapolation of toxicity knowledge. However, with the development of structural models from tools like the Iterative Threading ASSEmbly Refinement (ITASSER), analyses of protein structural conservation can be included to add further lines of evidence and generate protein models across species. Models generated through such a pipeline could then be used for advanced molecular modeling approaches in the context of species extrapolation. Two case examples illustrating this pipeline from SeqAPASS sequences to I-TASSER-generated protein structures were created for human liver fatty acid–binding protein (LFABP) and androgen receptor (AR). Ninety-nine LFABP and 268 AR protein models representing diverse species were generated and analyzed for conservation using template modeling (TM)-align. The results from the structural comparisons were in line with the sequence-based SeqAPASS workflow, adding further evidence of LFABL and AR conservation across vertebrate species. The present study lays the foundation for expanding the capabilities of the web-based SeqAPASS tool to include structural comparisons for species extrapolation, facilitating more rapid and efficient toxicological assessments among species with limited or no existing toxicity data. Environ Toxicol Chem 2023;42:463–474. © 2022 SETAC. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
The Importance of Fostering and Funding Scientific Research, and its Relevance to Environmental Toxicology and Chemistry
Authors: Sesin Verena , Judy Jonathan D. , Kapustka Larry , Opeolu Beatrice , Ottinger Mary A. , Bertsch Paul M. , Wang Ying , Lazorchak James , Smythe Tristan A. , Stahl Ralph G.
Published: December 2022

What do environmental contaminants and climate change have in common with the virus SARS-CoV-2 and the disease COVID-19? We argue that one common element is the wealth of basic and applied scientific research that provides the knowledge and tools essential in developing effective programs for addressing threats to humans and social-ecological systems. Research on various chemicals, including dichlorodiphenyltrichloroethane and per- and polyfluoroalkyl substances, resulted in regulatory action to protect environmental and human health. Moreover, decades of research on coronaviruses, mRNA, and recently SARS-CoV-2 enabled the rapid development of vaccines to fight the COVID-19 pandemic. In the present study, we explore the common elements of basic and applied scientific research breakthroughs that link chemicals, climate change, and SARS-CoV-2/COVID-19 and describe how scientific information was applied for protecting human health and, more broadly, socio-ecological systems. We also offer a cautionary note on the misuse and mistrust of science that is not new in human history, but unfortunately is surging in modern times. Our goal was to illustrate the critical role of scientific research to society, and we argue that research must be intentionally fostered, better funded, and applied appropriately. To that end, we offer evidence that supports the importance of investing in scientific research and, where needed, ways to counter the spread of misinformation and disinformation that undermines legitimate discourse. Environ Toxicol Chem 2023;42:581–593. © 2022 SETAC