bluuebunny/crossref_metadata_2025 huggingface dataset:
Active Sites in Cr(III)‐Based Ethylene Polymerization Catalysts from Machine‐Learning‐Supported XAS and EPR Spectroscopy**
Authors: Ashuiev Anton , Giorgia Nobile Anna , Trummer David , Klose Daniel , Guda Sergey , Safonova Olga V. , Copéret Christophe , Guda Alexander , Jeschke Gunnar
Published: November 2023

The ethylene polymerization Phillips catalyst has been employed for decades and is central to the polymer industry. While Cr(III) alkyl species are proposed to be the propagating sites, there is so far no direct experimental evidence for such proposal. In this work, by coupling Surface organometallic chemistry, EPR spectroscopy, and machine learning‐supported XAS studies, we have studied the electronic structure of well‐defined silica‐supported Cr(III) alkyls and identified the presence of several surface species in high and low‐spin states, associated with different coordination environments. Notably, low‐spin Cr(III) sites are shown to participate in ethylene polymerization, indicating that similar Cr(III) alkyl species could be involved in the related Phillips catalyst.
Domino‐Redox Reaction Induced by An Electrochemically Triggered Conformational Change
Authors: Harimoto Takashi , Tadokoro Tomoki , Sugiyama Soichiro , Suzuki Takanori , Ishigaki Yusuke
Published: November 2023

The concept of a domino‐type reaction has been applied in a wide range of fields such as synthetic organic chemistry, material engineering, and life science. To extend the domino concept to redox chemistry, we designed and synthesized a dimeric quinodimethane (QD) with a nonplanar dithiin spacer. The domino‐redox properties can be activated by raising the temperature, based on a thermally equilibrated twisted conformation of QD, which has a higher HOMO level that is more readily oxidized. After one QD unit is oxidized (trigger), steric repulsion and electronic interaction between electrophores make the neighboring QD unit adopt a twisted conformation (domino process), which facilitates the following oxidation. Thus, a domino‐redox reaction was achieved for the first time by a change in the HOMO level due to a drastic change in the molecular conformation.
Linking courtship calls and observed behaviours of Epinephelus marginatus in the wild offers new insights into its reproduction and conservation
Authors: Desiderà Elena , Mazzoldi Carlotta , Navone Augusto , Blandin Rémi , Calò Antonio , Gervaise Cédric , Panzalis Pieraugusto , Trainito Egidio , Guidetti Paolo , Di Iorio Lucia
Published: November 2023

Groupers are marine fishes particularly vulnerable to overexploitation owing to their reproduction‐related traits. The dusky grouper Epinephelus marginatus is classified as ‘Endangered’ in the Mediterranean Sea, where protection measures have proven critical for allowing population recovery and persistence of the species. However, knowledge gaps remain regarding its reproductive behaviours and spawning sites. As with other grouper species, the dusky grouper is known to produce courtship‐associated sounds, which were validated in captivity, but no study has ever established a link between sound production and observed behaviours in the wild.

This study aims to characterize, both visually and acoustically, the behavioural patterns of wild dusky grouper, thus specifically linking visual courtship behaviours to the associated sound production. Visual as well as passive acoustic methods were employed at two presumptive spawning sites within a Mediterranean Marine Protected Area (MPA) in the north‐western Mediterranean Sea over two consecutive summer seasons (2017 and 2018).

The temporal patterns of sound production showed site specificity over the month in which reproductive activity was most intense. Courtship calls were mostly recorded around sunset at both study sites and were significantly associated with visual reproductive behaviours. Results also indicated a temporal partitioning in the acoustic activity of the species, with different sound types being recorded at distinct times of the day, likely corresponding to the occurrence of various behaviours during those periods.

These findings have important implications for identifying and monitoring dusky grouper spawning sites using passive acoustic methods, therefore providing valuable information for the development, implementation, and/or enforcement of effective conservation measures therein.
Effect of Electron‐donating Group on NO Photolysis of {RuNO}6 Ruthenium Nitrosyl Complexes with N2O2 Lgands Bearing π‐Extended Rings
Authors: Kim Minyoung , Park Seongchul , Song Dayoon , You Youngmin , Lim Manho , Lee Hong‐In
Published: November 2023

In this study, we introduced the electron‐donating group (−OH) to the aromatic rings of Ru(salophen)(NO)Cl (0) (salophenH2=N,N′‐(1,2‐phenylene)bis(salicylideneimine)) to investigate the influence of the substitution on NO photolysis and NO‐releasing dynamics. Three derivative complexes, Ru((o‐OH)2‐salophen)(NO)Cl (1), Ru((m‐OH)2‐salophen)(NO)Cl (2), and Ru((p‐OH)2‐salophen)(NO)Cl (3) were developed and their NO photolysis was monitored by using UV/Vis, EPR, NMR, and IR spectroscopies under white room light. Spectroscopic results indicated that the complexes were diamagnetic Ru(II)−NO+ species which were converted to low‐spin Ru(III) species (d5, S=1/2) and released NO radicals by photons. The conversion was also confirmed by determining the single‐crystal structure of the photoproduct of 1. The photochemical quantum yields (ΦNOs) of the photolysis were determined to be 0>1, 2, 3 at both the visible and UV excitations. Femtosecond (fs) time‐resolved mid‐IR spectroscopy was employed for studying NO‐releasing dynamics. The geminate rebinding (GR) rates of the photoreleased NO to the photolyzed complexes were estimated to be 0≃1, 2, 3. DFT and TDDFT computations found that the introduction of the hydroxyl groups elevated the ligand π‐bonding orbitals (π (salophen)), resulting in decrease of the HOMO‐LUMO gaps in 1–3. The theoretical calculations suggested that the Ru‐NNO bond dissociations of the complexes were mostly initiated by the ligand‐to‐ligand charge transfer (LLCT) of π(salophen)→π*(Ru−NO) with both the visible and UV excitations and the decreasing ΦNOs could be explained by the changes of the electronic structures in which the photoactivable bands of 1–3 have relatively less contribution of transitions related with Ru‐NO bond than those of 0.
Vicinal All‐Carbon Quaternary Stereocenter Construction with Trifluoromethyl Groups via Organocatalytic Asymmetric Cascade Michael/Michael Reaction
Authors: Tsuyusaki Ryo , Nakashima Kosuke , Matsushima Yasuyuki , Hirashima Shin‐ichi , Miura Tsuyoshi
Published: November 2023

A thiourea organocatalyst efficiently promoted the asymmetric cascade Michael/Michael reactions between isatin‐derived trifluoromethylacrylate and α‐alkylidene succinimide, resulting in high yields of spirooxindole derivatives. These compounds exhibit vicinal all‐carbon quaternary stereocenters and bear a trifluoromethyl group, with excellent enantioselectivities reaching up to 99 % ee. This work represents the first successful organocatalyst application for the direct construction of vicinal all‐carbon quaternary stereocenters, featuring a trifluoromethyl group.
Studies on a novel SrZr2CaLa2O8:Eu3+ phosphor for lighting applications emitting direct white light
Authors: Aitha Kishore Kumar , Dinakar Dantala , Murthy K. V. R. , Prasad A. S. Sai , Haranath Divi
Published: November 2023

Direct white light emitting phosphors play a significant role in the display industry due to their ability to improve the quality, efficiency, and versatility of lighting sources used in most of the displays. The currently investigated phosphor SrZr2CaLa2O8:Eu3+ was prepared by a conventional solid‐state reaction method. It has been observed that the stoichiometric ratio of all precursors plays an important role in determining the characteristics of the final phosphor. From X‐ray diffraction (XRD) analysis, the phosphor was observed to have a hexagonal phase and a crystal size of ~28 nm. Scanning electron microscopy (SEM) observations revealed a cluster of rod‐like structures with an average diameter of ~0.2 μm. The excitation peak maximum observed at 280 nm is due to charge transfer between Eu3+‐O2− ions. The energy transitions 7F0 → 5L6 and 7F0 → 5D2 are responsible for the appearance of other excitation peaks at ultraviolet (UV) (395 nm), blue (~467 nm), green (~540 nm), orange (~590 nm), and red (~627 nm) attributed to 5D0 → 7FJ (J = 0–4) transitions of europium ion (Eu3+). The Commercial International de I'Eclairage (CIE) chromaticity coordinates were estimated to be (0.37, 0.0.33) and (0.67, 0.33) for the emissions corresponding to 395 and 590 nm, respectively. The characteristic emissions of Eu3+ ions allow this novel phosphor to be used to generate direct white light in light‐emitting diodes (LEDs), which is otherwise difficult to achieve in single‐component systems.
Enhanced L‐serine production by Corynebacterium glutamicum based on novel insights into L‐serine exporters
Authors: Gao Yujie , Zhang Xiaomei , Xu Guoqiang , Zhang Xiaojuan , Li Hui , Shi Jinsong , Xu Zhenghong
Published: November 2023

The L‐serine exporters ThrE and SerE play important roles in L‐serine production by Corynebacterium glutamicum. Deletion of both thrE and serE decreased L‐serine titer by 60%, suggesting the existence of other L‐serine exporters. A comparative transcriptomics identified NCgl0254 and NCgl0255 as novel L‐serine exporters. Further analysis of the contributions of ThrE, SerE, NCgl0254, and NCgl0255 found that SerE was the major L‐serine exporter in C. glutamicum and these four L‐serine exporters were responsible for 79.7% of L‐serine export. Deletion of one L‐serine exporter upregulated the transcription levels of the other three, which might be coursed by increased intracellular concentrations of L‐serine. Overexpression of NCgl0254 and NCgl0255 increased L‐serine titer by 20.8% in C. glutamicum A36, while overexpression of the four L‐serine exporters increased L‐serine production by 31.9% (41.1 g·L−1) in C. glutamicum A36. The identification of novel L‐serine exporters in C. glutamicum will help to improve industrial production of L‐serine.
1,1‐Diethoxyethane as an interfacial‐stabilizing solvent for lithium–sulfur batteries
Authors: Park Juhwi , Kim Tae‐Hyun , Yim Taeeun
Published: November 2023

Lithium–sulfur batteries (LSBs) have gained remarkable attention over the past several years, however, their inherent limitations, such as the poor interfacial stability of their Li anodes and the severe dissolution of polysulfide, are regarded as bottlenecks that prevent these batteries from entering commercial markets. In this study, a 1,1‐diethoxyethane (DEE), which has been functionalized with acetal groups, is proposed as an electrolyte cosolvent to complement the limitations of the electrode materials of LSBs. In Li/Li symmetric cells, the DEE cosolvent exhibited stable cycling behavior, whereas the cell with the baseline electrolyte exhibited rapidly increasing polarization, even after 650 h. In LSB cells, the electrolyte that contains 50% DEE exhibits the highest cycling retention (65.0%) compared to the baseline electrolyte (49.8%) because it effectively protects the interface of the Li anode, but also suppresses the dissolution of polysulfide species.
Process oriented guided inquiry learning: A systematic review using bibliometric analysis
Authors: Şen Şenol
Published: November 2023

Process oriented guided inquiry learning (POGIL), is a group‐learning method that contributes to the active participation of learners in learning/teaching environments. However, a standard process for using the POGIL in classes is not available. In addition, no systematic reviews using bibliometric analysis in the literature examine the studies concerning POGIL in terms of content and research trends. From this viewpoint, this study aimed to examine the documents related to POGIL with the bibliometric analysis method to contribute to the development of POGIL. It analyses the publications made about POGIL in the period between 1999 and 2023. A total of 179 publications available on the Web of Science were included in the study. It was found following the analyses that the publications were made in various research areas and were published in several journals. They were mostly published in the USA and the researcher with the greatest number of publications was Clifton L. Kussmaul.
Association between the blood pressure variability and cognitive decline in Parkinson's disease
Authors: Xiao Yi , Yang Tianmi , Zhang Lingyu , Wei Qianqian , Ou Ruwei , Hou Yanbing , Liu Kuncheng , Lin Junyu , Jiang Qirui , Shang Huifang
Published: November 2023

Objectives

High visit‐to‐visit blood pressure variability (BPV) was found to be associated with cognitive decline in the elderly. This study aimed to investigate the impact of visit‐to‐visit BPV on cognition in patients with early‐stage Parkinson's disease (PD).

Design

This is a retrospective analysis of a prospective cohort.

Setting and participants

A total of 297 patients with early‐stage PD (103 mild cognitive impairments [PD‐MCI] and 194 normal cognitions [PD‐NC] at baseline) were included from the Parkinson's Progression Markers Initiative study.

Methods

Variation independent of mean (VIM) of the first year was used as the indicator of BPV. The Montreal Cognitive Assessment (MoCA) was used to assess global cognition. Patients were divided into PD‐MCI and PD‐NC according to the MoCA score at baseline. Longitudinal cerebrospinal fluid (Aβ‐42, Aβ, α‐synuclein, neurofilament light protein, tau phosphorylated at the threonine 181 position, total tau, glial fibrillary acidic protein) and serum (neurofilament light protein) biomarkers were assessed. The Bayesian linear growth model was used to evaluate the relationship between baseline BPV and the rate of change in cognition and biomarkers.

Results

Higher systolic VIM of the first year was related to a greater rate of decline in MoCA score in the following years in PD‐MCI (β = −.15 [95% CI −.29, −.01]). No association was found between BPV and biomarkers.

Conclusion and implications

Higher systolic VIM predicted a steeper decline in cognitive tests in PD‐MCI independently from the mean value of blood pressure, orthostatic hypotension, and supine hypertension.
Omeprazole was safely reused in a rhabdomyolysis patient associated with proton pump inhibitors: A case report
Authors: Wang Zhen , Shen Jun , Zhang Lei
Published: November 2023

Key Clinical Message

Proton pump inhibitors (PPIs) are commonly used in the clinical treatment of abnormal gastric acid secretion and gastric acid related diseases. There are disputes about blood purification and PPIs reuse in patients with PPIs‐induced rhabdomyolysis. Herein we reported an 84‐year‐old woman with a 10‐year history of coronary heart disease and gastric acid. After 18 days of omeprazole therapy, the blood myoglobin of the patient rose progressively. Laboratory examination confirmed rhabdomyolysis, and PPIs‐induced rhabdomyolysis was considered. Atorvastatin was initially discontinued. Additionally, omeprazole was altered to iprazole. Since blood myoglobin continued to exceed the highest value identified, continuous renal replacement therapy (CRRT) and hemoperfusion (HP) were administrated. When PPIs‐induced rhabdomyolysis was considered, iprazole was discontinued. Two days after discontinuation of iprazole, blood myoglobin continuously decreased. After rhabdomyolysis was resolved, omeprazole was reused, and rhabdomyolysis did not reoccur. PPIs in combination with statins increase the risk of rhabdomyolysis. In the present case, switching to another PPIs or CRRT and HP therapy did not alleviate rhabdomyolysis. Rhabdomyolysis caused by statins is countless, but other reasons cannot be overlooked. In any case, the removal of etiology is the primary component of the treatment of rhabdomyolysis. When rhabdomyolysis is alleviated, PPIs can be reused safely under close monitoring.
Ethylene Oligomerization: Unraveling the Roles of Ni Sites, Acid Sites, and Zeolite Pore Topology through Continuous and Pulsed Reactions
Authors: Abed Omar , Mohamed Hend Omar , Hita Idoia , Velisoju Vijay , Morlanés Natalia , El Tall Omar , Castaño Pedro
Published: November 2023

Herein, four catalysts, consisting of either MFI or BEA as the zeolite framework in the presence or absence of Ni, are compared to explore the individual and collective adsorptive and catalytic contributions of pore topology, Ni sites, and acid sites. Both continuous and pulsed chemisorption/reaction experiments are used to obtain a complete picture of the time‐dependent adsorption‐desorption behavior, reaction mechanisms, and deactivation steps. The methodology highlights the effect of acid sites, especially during the initial stages of reaction and in the BEA‐based catalysts, which have higher acidity at a given Si/Al ratio. In addition, Ni accelerates the reaction and improves the selectivity towards intermediate oligomers. However, the tendency for the most active Ni and acid sites to saturate and deactivate more rapidly than the less active ones may lead to misinterpretation when using the continuous reactor alone. Hence, the dominant mechanisms over the different catalyst sites and reaction times are discussed based on the combined steady and dynamic experiments.
Kalter Krieg und heiße Brühe
Authors: Matter Günter
Published: November 2023

Nach dem Zweiten Weltkrieg war die Versorgung der Bevölkerung in der Sowjetzone besonders schwierig. Die Menschen litten Hunger, Fleisch war ein rarer Artikel. Das veranlasste die Chemiker des Elektrochemischen Kombinates Bitterfeld (EKB), aus Schlachtabfällen durch Eiweißhydrolyse Ersatzprodukte zu schaffen. Die unter dem Markennamen BINO auf den Markt gebrachten Speisewürzen, Brühwürfel, Eiweißpulver und weitere Produkte bereicherten das Lebensmittelangebot (Abbildung 1). Für das EKB war BINO eine Erfolgsgeschichte, Umsatz und Gewinn stimmten. Doch durch Falschmeldungen in der westdeutschen Presse wurden die BINO‐Produkte in Misskredit gebracht. Auch die ostdeutsche Konkurrenz beschwerte sich bei den staatlichen Stellen der DDR darüber, wie ein chemischer Großbetrieb, der Grundchemikalien, Düngemittel, Biozide und Herbizide herstellt, Lebensmittel produzieren darf.
Design, synthesis of novel chromene‐based scaffolds targeting hepatocellular carcinoma: Cell cycle arrest, cytotoxic effect against resistant cancer cells, apoptosis induction, and c‐Src inhibition
Authors: Abdelall Eman K. A. , Elshemy Heba A. H. , Labib Madlen B. , Mohamed Fatma E. A.
Published: November 2023

New chromene derivatives were synthesized based on 4‐(3,4‐dimethoxy)‐4H‐chromene scaffold. All target compounds exhibited cytotoxic activity against HepG2 cells (IC50 = 2.40–141.22 μM). Chromens 5 and 9 showed superior cytotoxicity over staurosporine (IC50 = 18.27 μM) and vinblastine (IC50 = 5.20 μM). c‐Src kinase inhibition assay of compounds 5 and 9 displayed the dominant c‐Src inhibitory activity of 5 (IC50 = 0.184 μM) over 9 (IC50 = 0.288 μM). The safety of the most potent compound 5 against normal WI‐38 cells was confirmed via its IC50 of 115.75 μM comparable with 5‐FU (IC50 = 16.28 μM). Moreover, the promising chromene 5 displayed potent cytotoxicity against resistant HepG2 cells with IC50 of 26.03 μM comparable with 5‐FU (IC50 = 42.68 μM). The most active chromene 5 arrested the HepG2 cell cycle at the S phase and induced a 29‐fold increase in the total number of apoptotic cells indicating pre‐G1 apoptosis. The ability of compound 5 to induce apoptosis was supported via elevation of caspase‐3, caspase‐7, caspase‐9 and proapoptotic Bax protein levels in addition to downregulation of the antiapoptotic Bcl2 protein. Molecular docking studies of compound 5 showed good binding interaction pattern inside c‐Src kinase enzyme active site.
Review new OCR letter that may suggest a more flexible approach to process
Authors: Masinter Michael R.
Published: November 2023

As previous columns have noted (https://doi.org/10.1002/dhe.31107), the Office for Civil Rights denial of accommodation investigations focus almost exclusively on process. These determination letters frequently include lengthy descriptions of how the institution processed a request, a focus that might suggest that Section 504 of the Rehabilitation Act is an administrative procedure statute. But Section 504 is a civil rights statute whose purpose is to prohibit disability discrimination, not a procedural code for processing accommodation requests. Nevertheless, if OCR unearths process shortcomings in its investigation, it regularly relies on process failure to conclude that an institution has violated section 504, issuing a finding of discrimination and direction to reconsider the request based solely on its assessment that the institution's process fell short.
Coaching program sets struggling students up for success
Authors: McCarthy Claudine
Published: November 2023

BOSTON — When student affairs staff at Texas State University wanted to boost student retention and graduation rates, they decided to focus on students on academic probation and in developmental education courses. According to Victoria Black, Associate Dean for Student Services at Texas State University, 20% of first‐year students find themselves on academic probation and 75% of those students don’t get into good academic standing, lose their financial aid, and thus have to leave the institution. To set those struggling students on a path to success, staff developed a success coaching program, resulting in improved GPAs for at least 50% of students who received success coaching at least three times. Also, about 75% of students who received coaching at least two times described the program as helpful, Black said during a presentation at the annual conference for NASPA — Student Affairs Administrators in Higher Education.
Energy governance in China: A mixture of democratic environmentalism and authoritarian environmentalism
Authors: Zhang Chenxi
Published: November 2023

This paper challenges the conventional wisdom that environmental governance in China is a typical example of authoritarian environmentalism. By analyzing the case of energy governance, it indicates that China has become aware that energy and environmental issues are inter‐related and complicated and that more diverse and multi‐level solutions are required to reach increasingly ambitious national goals. In the context of ongoing state reform, local governments, enterprises, and civil society have played more active roles during the process of policy formulation and implementation. But meanwhile, the central government is tightening regulation and supervision to reduce non‐compliance with its energy initiatives and to safeguard national security and social stability. Therefore, energy governance in China has displayed a mixture of democratic and authoritarian elements. The state can adopt different measures based on the specific situation it faces and the final outcome it wants to reach. More broadly, this case reveals that there is no simple relationship between the regime type and its corresponding energy governance model. The study of environmental politics should not be confined to the examination of formal institutional features but also needs to take concrete practices in every country into account.
Empagliflozin cost‐effectiveness analysis in Japanese heart failure with mildly reduced and preserved ejection fraction
Authors: Tsutsui Hiroyuki , Sakamaki Hiroyuki , Momomura Shin‐ichi , Sakata Yasushi , Kotobuki Yutaro , Linden Stephan , Idehara Koki , Nitta Daisuke
Published: November 2023

Aims

Empagliflozin, a sodium‐glucose co‐transporter 2 inhibitor, was shown to be effective in patients with heart failure with preserved ejection fraction (HFpEF) in the EMPEROR‐Preserved trial. The present study aims to evaluate the cost‐effectiveness of empagliflozin among Japanese patients with HFpEF.

Methods and results

A Markov cohort model was developed to evaluate the cost‐effectiveness of empagliflozin added to standard of care (SoC) compared with SoC alone in patients with HFpEF from the perspective of the Japanese healthcare system and with a lifetime horizon. In addition to clinical events, the progression of disease severity was modelled based on the migration of Kansas City Cardiomyopathy Questionnaire‐Clinical Summary Scores (KCCQ‐CSS). Model inputs, including risk of clinical events, costs, and utilities/disutilities, were derived from EMPEROR‐Preserved trial data, a claims database and published literature. The generalizability of model results was investigated by applying various subgroups including age, body mass index (BMI), and region Asia, based on the subgroup analysis of EMPEROR‐Preserved data. In the base‐case analysis, empagliflozin yielded additional quality‐adjusted life years (QALYs; 0.11) with an incremental cost of $1408 per patient for Japanese patients with HFpEF. Incremental cost, mainly derived from drug acquisition cost ($1963 per patient), was largely offset by reduced cost in hospitalization for heart failure (HHF) and cardiovascular death (−$537 per patient and −$166 per patient, respectively). Treatment of empagliflozin provided incremental 0.11 QALYs and 0.08 life years compared with SoC alone. The incremental cost‐effectiveness ratio (ICER) was $12 772 (¥1 662 689)/QALY, which was below the Japanese willingness‐to‐pay (WTP) threshold of $38 408 (¥5 000 000)/QALY. The results were consistent across all the subgroups considered, and empagliflozin was dominant over SoC alone in the region Asia and BMI < 25 kg/m2 subgroups. ICERs for the remaining subgroups ranged from $7520/QALY (¥978 972/QALY, patients with baseline age ≥ 75 years) to $31 049/QALY (¥4 041 896/QALY, patients with baseline New York Heart Association class III/IV). Deterministic sensitivity analysis result showed that the treatment effect on HHF is the biggest driver of the cost‐effectiveness analysis, while the ICER will be still under the threshold even if no effect of empagliflozin on HHF was assumed. The probabilistic sensitivity analysis result showed that 64% of simulations were cost‐effective based on the Japanese WTP threshold.

Conclusions

Empagliflozin was demonstrated to be cost‐effective for patients with HFpEF in Japan based on EMPEROR‐Preserved trial data.
Identification of the communal pathogenesis and immune landscape between viral myocarditis and dilated cardiomyopathy
Authors: Lei Zhe , Cao Jianlei , Wu Jiahe , Lu Yi , Ni Lihua , Hu Xiaorong
Published: November 2023

Aims

Studies have confirmed that viral myocarditis (VMC) is one of the risk factors for dilated cardiomyopathy (DCM). The molecular mechanisms underlying the progression from VMC to DCM remain unclear and require further investigation.

Methods and results

The mRNA microarray datasets GSE57338 (DCM) and GSE1145 (VMC) were obtained from the Gene Expression Omnibus database. The candidate key genes were further screened using weighted correlation network analysis (WGCNA), protein–protein interaction and external dataset validation, and the correlation between the candidate key genes and immune cells and the signalling pathways of the candidate key genes were observed by enrichment analysis and immune infiltration analysis. The expression of key genes was validated in the external dataset GSE35182. The crosstalk genes between DCM and VMC were mainly enriched in ‘transcriptional misregulation in cancer’, ‘FoxO signalling pathway’, ‘AGE‐RAGE signalling pathway in diabetic complications’, ‘thyroid hormone signalling pathway’, ‘AMPK signalling pathway’, and other signalling pathways. The immune infiltration analysis indicated that VMC was mainly associated with resting dendritic cells and M0 macrophages, while DCM was mainly associated with monocytes, M0 macrophages, CD8+ T cells, resting CD4 memory T cells, naive CD4+ T cells, and resting mast cells. In DCM‐related dataset GSE57338 and VMC‐related dataset GSE1145, a total of 18 candidate key genes were differentially expressed. BLC6, FOXO1, and UBE2M were identified as the key genes that lead to the progression from VMC to DCM by GSE35182.

Conclusions

Three key genes (BLC6, FOXO1, and UBE2M) were identified and provided new insights into the diagnosis and treatment of VMC with DCM.
Improved seismic risk evaluation for high‐voltage switchgear equipment: A copula‐based framework considering joint failure modes
Authors: Wen Jiayi , Li Xiaoxuan , Zhu Yuxiang
Published: November 2023

Traditional seismic evaluations for high‐voltage switchgear equipment, the critical power facilities, consider only structural failure mode and may underestimate the actual seismic risk. By additionally introducing a probable functional failure mode caused by the excessive deformation of the switchable blade of equipment, a novel copula‐based framework is proposed to utilize limited samples to generate simulation data and evaluate the joint failure probability (JFP). The correlation index and Akaike Information Criterion are employed to optimize the Copula function. For illustration, a disconnector, representative switchgear equipment, was selected as an example and modeled with the experiment validation. Model analysis results demonstrate the Clayton type is the most competent for evaluation. Neglecting functional failure can significantly underestimate the actual failure probability at various seismic intensities, up to 50%. Furthermore, it was found that the current equipment material strength level already meets the requirements, and enhancing strength alone does not effectively improve reliability under strong earthquakes. For PGA intensities ≥0.7 g, the blade deformation capacity plays the primary reliability constraint, independent of material stress. A cost‐effective seismic design should optimize the combination of allowable material stress and blade deformation based on the JFP considering seismic intensity and targeted reliability.
Deep Learning‐Assisted Design of Novel Promoters in Escherichia coli
Authors: Wang Xinglong , Xu Kangjie , Tan Yameng , Yu Shangyang , Zhao Xinyi , Zhou Jingwen
Published: November 2023

Deep learning (DL) approaches have the ability to accurately recognize promoter regions and predict their strength. Here, the potential for controllably designing active Escherichia coli promoter is explored by combining multiple deep learning models. First, “DRSAdesign,” which relies on a diffusion model to generate different types of novel promoters is created, followed by predicting whether they are real or fake and strength. Experimental validation showed that 45 out of 50 generated promoters are active with high diversity, but most promoters have relatively low activity. Next, “Ndesign,” which relies on generating random sequences carrying functional −35 and −10 motifs of the sigma70 promoter is introduced, and their strength is predicted using the designed DL model. The DL model is trained and validated using 200 and 50 generated promoters, and displays Pearson correlation coefficients of 0.49 and 0.43, respectively. Taking advantage of the DL models developed in this work, possible 6‐mers are predicted as key functional motifs of the sigma70 promoter, suggesting that promoter recognition and strength prediction mainly rely on the accommodation of functional motifs. This work provides DL tools to design promoters and assess their functions, paving the way for DL‐assisted metabolic engineering.
iPSC‐derived microglia carrying the TREM2 R47H/+ mutation are proinflammatory and promote synapse loss
Authors: Penney Jay , Ralvenius William T. , Loon Anjanet , Cerit Oyku , Dileep Vishnu , Milo Blerta , Pao Ping‐Chieh , Woolf Hannah , Tsai Li‐Huei
Published: November 2023

Genetic findings have highlighted key roles for microglia in the pathology of neurodegenerative conditions such as Alzheimer's disease (AD). A number of mutations in the microglial protein triggering receptor expressed on myeloid cells 2 (TREM2) have been associated with increased risk for developing AD, most notably the R47H/+ substitution. We employed gene editing and stem cell models to gain insight into the effects of the TREM2 R47H/+ mutation on human‐induced pluripotent stem cell‐derived microglia. We found transcriptional changes affecting numerous cellular processes, with R47H/+ cells exhibiting a proinflammatory gene expression signature. TREM2 R47H/+ also caused impairments in microglial movement and the uptake of multiple substrates, as well as rendering microglia hyperresponsive to inflammatory stimuli. We developed an in vitro laser‐induced injury model in neuron–microglia cocultures, finding an impaired injury response by TREM2 R47H/+ microglia. Furthermore, mouse brains transplanted with TREM2 R47H/+ microglia exhibited reduced synaptic density, with upregulation of multiple complement cascade components in TREM2 R47H/+ microglia suggesting inappropriate synaptic pruning as one potential mechanism. These findings identify a number of potentially detrimental effects of the TREM2 R47H/+ mutation on microglial gene expression and function likely to underlie its association with AD.
Dynamic saturation area and water balance modelling of karstic basins
Authors: Mohseni Bilehsavarchi Shayan , Nasiri Saleh Farzin , Zahraie Banafsheh
Published: November 2023

Water balance models are known as major tools for simulation of basin‐wide water cycle components. Considering the complexity of the runoff generation processes in karstic basins, it is crucial to bring the model processes closer to the physical reality of karstic springs and their contribution to runoff formation. One of the challenges in basin‐scale modelling of karstic basins is that the basin response to precipitation is highly influenced by the soil saturation condition and its seasonal variability. One way to address this challenge is to include a dynamic structure for the water balance model. In this research, the structure of SAM‐KARST water balance model for estimation of monthly streamflows in the outlet of karst basins was presented. Moreover, to better simulate the basin response fluctuations in different seasons, the SAMdyn‐KARST model with a dynamic storage structure was introduced and developed. The results of the SAMdyn‐KARST model were compared with the saturation area model (SAM) and SAM‐KARST models for the Shapur river basin in southwest of Iran. The results confirmed the importance of considering larger saturation storage in the karst basins. The case study results also showed that SAMdyn‐KARST outperformed SAM‐KARST model and provided higher accuracy in estimating seasonal variations of surface streamflows at the basin outlet.
Observing and modelling dynamic changes in temperature and volumetric fluxes within a riverbank aquifer under the influence of seasonal river stage fluctuations
Authors: Ren Jie , Xu Song , Ma Chen , Dai Juan , Zhang Nan , Li Suping
Published: November 2023

Seasonal variation causes regular fluctuations in river water levels and water temperatures, which affects the distribution of temperature fields and seepage fields in riparian zones. In this paper, the monitoring device was used to continuously monitor Dongting Lake for a period of 1 year, and the temperature distribution characteristics of the riparian hyporheic zone under seasonal variation were analysed. Ten riparian hydrothermal coupling models based on different soil thermal conductivity models were verified, and the optimal model was used to simulate the influence of the flood process on the temperature field and seepage field of the riparian hyporheic zone. The results show that the changes in groundwater level and temperature in the riparian hyporheic zone had obvious lag and attenuation phenomena compared with the changes in river water level and ambient temperature. The temperature field of the riparian hyporheic zone changed obviously in the year. The vertical temperature gradient was large in summer and winter, the stratification phenomenon was obvious, and the temperature field fluctuation was small. The effect of the flood process on the temperature field and seepage velocity in the riparian hyporheic zone was obviously hysteretic. The effect of the flood‐withdrawing process on the temperature change of the shallow layer was greater than that of the flood‐rising process, while the response of the deep layer temperature change to flood‐rising and flood‐withdrawing processes was the opposite. The effect of floods on the variation in groundwater velocity was that the flood‐rising process was greater than the flood‐withdrawing process.
Hemihysterectomy in a patient with uterus didelphys, vaginal septum and ipsilateral renal agenesis: A case report and literature review
Authors: Peixoto Silva Ananda , Souza Neves Sasha , Tannure Saraiva Pedro Henrique , Bicalho Bretas Tancredo Alberto
Published: November 2023

Uterus didelphys is a rare Müllerian anomaly, often diagnosed during menarche or in women with a personal history of infertility and/or recurrent pregnancy loss. Its association with other genitourinary anomalies is frequent and may determine the existence of established syndromes. This case report refers to a 13‐year‐old female patient diagnosed with OHVIRA syndrome (Obstructed Hemivagina with Ipsilateral Renal Agenesis), a condition wherein the presence of a didelphic uterus is associated with hemivagina obstruction and ipsilateral renal agenesis. The patient presented with cyclic pelvic pain, related to the presence of hematocolpos and hematometra, which persisted despite several surgical approaches, including vaginal septum excision and correction of cervical stenosis. The recurrence of the condition indicated exploratory laparotomy, revealing two hemi‐uteri and two uterine cervixes, with hematometra on the right. A subtotal hemihysterectomy was performed on the right. Post‐procedure, the patient developed with regular menstrual cycles and improvement of pelvic pain complaints. Given the limited prevalence and low index of suspicion, the potential requirement for surgical intervention and its potential impact on reproductive future, diagnosing and treating OHVIRA syndrome and other Müllerian anomalies poses notable challenges in clinical practice. Hence, sharing different therapeutic approaches of a rare diagnosis with the scientific community is of paramount importance to aid in early diagnosis and effective management of similar clinical cases.
Efficient feature recognition and matching technology for IoT‐enabled sports training
Authors: Du Meng , Liu Zhongliang
Published: November 2023

With the development of the Internet of Things (IoT), the IoT technology is gradually applied to the sport training of athletes. According to the training feature of athletes collected by the IoT equipment, this paper proposes to use the method of feature image sequence analysis and feature extraction to automatically identify the training of athletes. The mathematical model of feature image recognition based on gray difference is established, and the pyramid iterative recognition algorithm is used to reduce the recognition error effectively. In addition, a mathematical model of image sequence feature extraction based on moment invariants is established, and the feature table for athlete matching is discussed in detail. Based on the concept of dynamic establishment of search area and the principle of two‐step template feature recognition and matching, through the analysis of the pictures of high jumpers, the change of the athlete angle of left knee in the process of high jump is obtained, which achieves the purpose of automatic identification of key actions. At the same time, the random error existing in manual recognition is completely eliminated.
Cover Image
Authors: Babu Aravinda , Sunil K. , Sajith Ayyiliath Meleveetil , Muthipeedika Nibin Joy , Santra Sougata , Zyryanov Grigory V.
Published: November 2023

The cover image is based on the Short Communication Pd/Co2(CO)8‐mediated bi‐metallic catalysis: Facile synthesis of pharmacologically relevant novel tacrine analogues by Aravinda Babu et al., https://doi.org/10.1002/jhet.4713

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Synthesis and characterizations of some new selenolo[2,3‐b]quinoxaline derivatives
Authors: Abdelwadoud Fatma K. , Gomaa Gehad S. , Geies Ahmed A.
Published: November 2023

In this paper, we present the synthesis of new selenoloquinoxaline derivatives starting from 2‐chloroquinoxaline‐3‐carbonitrile 1. The compound 1 was subjected to a reaction with selenium metal in the presence of NaBH4 as a reducing agent in ethanol, under a nitrogen atmosphere. This reaction resulted in the formation of the sodium salt of 3‐cyanoquinoxaline‐2‐selenolate, which was subsequently reacted with α‐halogenated carbonyl compounds in situ. This reaction produced a series of newly synthesized 3‐aminoselenolo[2,3‐b]quinoxaline‐2‐substituents. Ethyl 3‐aminoselenolo[2,3‐b]quinoxaline‐2‐carboxylate 3a was hydrolyzed by sodium hydroxide to give the corresponding sodium salt 9. This salt was then refluxed with acetic anhydride to produce oxazinone compound 10. The reaction of compound 10 with ammonium acetate afforded pyrimidoselenolo[2,3‐b]quinoxaline derivative 11. Compound 11 was then chlorinated using phosphorous oxychloride to give the corresponding chlorocompound.
Would external debts promote sustainable development in emerging and low‐income countries?
Authors: Luu Hiep Ngoc , Luu Nguyen Hanh , Phung Huong Thi Thu
Published: November 2023

This paper investigates how external debts influence sustainable development in emerging economies and low‐income countries from 101 countries from 2016 to 2020. External debt significantly aids countries in achieving their sustainable development goals but affects individual goal differently. While external debts promote well‐being, education quality, gender equality, employment, economic growth, and institutional strength, they negatively affect the sustainability of cities, communities, and ecosystems. Long‐term external and public debts make a significant contribution to promoting sustainable development,  but excessive external borrowing could hamper sustainable development progress.
Assessment of Pulmonary Ventilation Using 3D Ventilation Flow Capacity‐Weighted and Ventilation‐Weighted Maps From 3D Ultrashort Echo Time (UTE) MRI
Authors: Lee Seokwon , Lee Ho Yun , Park Jinil , Kim Hyeonha , Park Jang‐Yeon
Published: November 2023

Background

Three‐dimensional (3D) ventilation flow capacity‐weighted (VFCW) maps together with 3D ventilation‐weighted (VW) maps may help to better assess pulmonary function.

Purpose

To investigate the use of 3D VFCW and VW maps for evaluating pulmonary ventilation function.

Study Type

Prospective.

Population

Two patients (one male, 85 years old; one female, 64 years old) with chronic obstructive pulmonary disease (COPD) and nine healthy subjects (all male; 23–27 years).

Field Strength/Sequence

3‐T, 3D radial UTE imaging.

Assessment

3D VFCW and VW maps were calculated from 3D UTE MRI by voxel‐wise subtraction of respiratory phase images. Their validation was tested in nine healthy volunteers using slow/deep and fast/shallow breathing conditions. Additional validation was performed by comparison with single photon emission computed tomography (SPECT) ventilation maps of one healthy participant. For comparison, gravity dependence of anterior–posterior regional ventilation was assessed by one‐dimensional plot of the mean signal intensity for each coronal slice. Structural similarity index measure was also calculated. Finally, VW maps and VFCW maps of two COPD patients were evaluated for emphysema lesions with reference to CT images.

Statistical Tests

Wilcoxon sign‐rank tests for regional Ventilation and ventilation flow capacity, analysis of variance, post‐hoc t‐tests and Bonferroni correction, coefficient of variation, Kullback–Liebler divergence. A P‐value <0.05 was considered statistically significant.

Results

The validation of 3D VFCW and VW maps was shown by statistically significant differences in ventilation flow capacity and ventilation between the breathing conditions. Additionally, UTE‐MRI and SPECT‐based ventilation maps showed gravitational dependence in the anteroposterior direction. When applied to patients with COPD, the use of 3D VFCW and VW maps was able to differentiate between two patients with different phenotypes.

Data Conclusion

The use of 3D VFCW and VW maps can provide regional information on ventilation function and potentially contribute to assessment of COPD subtypes and disease progression.

Evidence Level

2

Technical Efficacy

Stage 1
Exploring the relative importance of preseason climatic drivers on spring phenology dynamics in the Greater Khingan Mountains, Northeast China
Authors: Fu Yuanyuan , Liu Chang , He Hong S. , Wang Shaoqiang , Wang Lunche , Xie Zhijie
Published: November 2023

Exploring spring phenology dynamics driven by climate change is crucial for investigating land–climate feedback. However, a thorough assessment of the influence of climatic drivers on spring phenology remains lacking. Here, we investigated spatiotemporal variations at the start of the growing season (SOS) in the Greater Khingan Mountains, Northeast China, during 1982–2015 using the normalized difference vegetation index third‐generation dataset from Global Inventory Modelling and Mapping Studies. To investigate the influence of preseason climatic factors on the SOS, partial correlation analysis was employed to assess correlations as well as to identify dominant regional drivers. Overall, the SOS dates in the study area showed obvious regional characteristics from 1982 to 2015, with a gradual delay from north to south, with more than 90% of the SOS dates occurring from Julian days 125–140. Advancement trends were observed in all ecogeographical regions, thus accounting for 94.6% of the entire research area, with an average of 7.14 days in advance. The partial correlation analysis revealed spring phenology was most significantly influenced by preseason temperature, and temperature promoted the advancement of SOS in almost the entire study area, but for semi‐humid/semi‐arid regions, the effects of total precipitation was greatest. Interestingly, preseason radiation also dominated earlier SOS dates by a few pixels, albeit in a fragmented distribution. Generally, the preseason temperature had a prominent influence on the SOS dates across all ecogeographical regions, whereas the roles of preseason precipitation and radiation varied by region. In addition to analysing a single climatic factor, our study aimed to analyse the comprehensive impacts of climatic factors on spring phenological processes, with a focus on the composite effects, helping us to improve predictions of spring phenology and provide a better understanding of land–climate interactions.