bluuebunny/crossref_metadata_2025 huggingface dataset:
Biological and equilibrium studies of Co(II), Cu(II), Zn(II), and Cd(II) complexes of 1‐formyl‐3‐semicarbazide: Docking studies
Authors: Fatima Anjum , Jyothi P. Nirmala , Sireesha B.
Published: May 2024

1‐Formyl‐3‐semicarbazide (FSC, HL) and its metal complexes with Co(II), Cu(II), Zn(II), and Cd(II) ions have been synthesized and characterized by elemental analysis, liquid chromatography‐mass spectrometry (LC–MS), infrared (IR), electronic, nuclear magnetic resonance (NMR) and electron spin resonance (ESR) spectroscopy, thermogravimetric analysis (TGA), magnetic susceptibility, and conductivity measurements. The chelates are non‐electrolytic in nature with distorted octahedral geometry. The kinetic and thermodynamic properties were calculated using the Coats–Redfern relation results in positive enthalpy change values and negative entropy change values. The equilibrium studies of FSC with Co(II), Zn(II), and Cd(II) ion have been carried out by potentiometric pH titrations in 70% v/v DMF‐water medium at 303 K and 0.1 M (KNO3) ionic strength. The study revealed that FSC is monobasic acid with pKa value of 8.84. The stability constants suggested the formation of 1:1 Co(II)‐FSC complex, and Zn(II)‐FSC and Cd(II)‐FSC systems revealed the formation of both 1:1 and 1:2 complexes in the solution. DNA binding studies for the metal chelates have been carried out using electronic absorption spectra, fluorescence emission spectra, and viscosity measurements revealing groove binding for Co(II), and Zn(II) complexes, and intercalation mode of binding for Cu(II)‐FSC complex with CT‐DNA. The Kb values from absorption studies are Co(II)‐FSC = 0.9990 × 102, Cu(II)‐FSC = 2.433 × 104, and Zn(II)‐FSC = 8.277 × 102 M−1, and the KSV values from the competitive fluorescence emission studies are Co(II)‐FSC = 0.19212 and Cu(II)‐FSC = 0.11482 M−1. Molecular docking carried out for both ligand and its Co(II) and Zn(II) complexes also revealed groove mode of binding, and Cu(II) complex showed intercalative mode of binding. The inhibition constants for HL, Co(II), Cu(II), and Zn(II) are 1460, 0.478, 0.122, and 0.194 μM, respectively. The antimicrobial activity has been studied using agar disk diffusion method against Escherichia coli and Bacillus subtilis. FSC has been found to be more active against gram +ve and gram –ve bacteria than its metal chelates.
The observed evolution of sub‐daily to multi‐day heavy precipitation in Switzerland
Authors: Bauer Victoria M. , Scherrer Simon C.
Published: May 2024

Heavy precipitation is a major natural hazard in the Alps. Understanding the possible changes due to climate change is a prerequisite for effective climate adaptation and protection. In this study, we revisit the long‐term (1901–2023) evolution of daily and multi‐day heavy precipitation intensity and frequency, discuss trends for sub‐daily to multi‐day events in the recent period 1981–2023 and investigate elevation dependencies in the complex topography of Switzerland. We analyze station measurements from MeteoSwiss' dense operational network covering the whole country and a wide range of elevation levels. We find that daily maximum precipitation and the frequency of precipitation events exceeding the 99th all‐day percentile have increased since 1901 with a peak in the 1980s and decreases thereafter. For the recent period 1981–2023, positive trends in summer heavy precipitation intensity are detected for short (10‐min to 3‐h) events, but no changes are found for the frequency of these moderate extreme events. For longer (1‐ to 5‐day) events on the other hand, decreases in intensity and frequency are found, especially for the winter half‐year. We hypothesize that the opposing trends on the centennial (1901–2023) vs. decadal (1981–2023) time scales are caused by the interaction between thermodynamics, reflecting the primary influence of human‐induced climate change, and the internal variability of atmospheric dynamics. Moreover, we observe a small negative elevation dependency of the daily long‐term trends up to 2300 m above sea level. For the 1981–2023 trends, no strong elevation dependencies are found for sub‐daily events. For daily events, we find small opposing negative summer and positive winter elevation dependencies for both intensities and frequencies. The reason for these tendencies remains unclear. Our results underscore the need to further investigate the interplay between climate change, internal variability of large‐scale dynamics and elevation to better understand heavy precipitation variability in the complex Alpine terrain.
Cryolithionite‐Based Pseudocapacitive Electrode for Sustainable Lithium‐ion Capacitors
Authors: Ladenstein Lukas , Pan Xuexue , Nguyen Hung Q. , Knez Daniel , Philipp Martin , Kothleitner Gerald , Redhammer Günther J. , Abbas Qamar , Rettenwander Daniel
Published: May 2024

Lithium‐ion insertion/deinsertion in anode at slow rates limits the power performance of energy storage devices. Here, a new pseudocapacitive electrode with high reversible capacity during cycling has been proposed for a lithium‐ion capacitor. The lithium‐fluoride garnet, namely Na3Fe2Li3F12, is obtained via precipitation from an aqueous solution at room temperature using abundant materials and exhibits a high discharge capacity of 746 mAh g−1. After the first charging cycle, the energy is stored via fast pseudocapacitive faradaic reactions which are facilitated by the nanocrystalline transport pathways with no structural modification to the electrode. The high stability window of F‐garnet allows extracting cell voltages of 2.2–3.2 V in a lithium‐ion capacitor where it is coupled with a porous carbon‐based positive electrode, with a high energy efficiency of 93 % maintained for 10000 charge/discharge cycles. This study opens a new research direction concerning pseudocapacitive anode materials for enhancing power performance and even replacing the traditional battery‐like anode materials.
Inquiry lipaseoring the mechanism of pancreatic lipase inhibition by isovitexin based on multispectral method and enzyme inhibition assay
Authors: Yu Hui , Xing Zhongfu , Jia Kaijie , Li Sai , Xu Yankun , Zhao Pan , Zhu Xiaojing
Published: May 2024

Isovitexin is a main natural flavonoid component in various plants. Currently, the inhibitory effect of isovitexin on pancreatic lipase (PL) and its mechanism have not been elucidated yet. In the present study, we investigated the inhibitory effect of isovitexin on PL, as well as its interaction mechanism, using enzyme inhibition methods, spectroscopic analysis, and molecular simulations. Results showed that isovitexin possessed significant PL inhibitory activity, with IC50 values of 0.26 ± 0.02 mM. The interaction between isovitexin and PL was dominated by static quenching, and mainly through hydrogen bonding and hydrophobic interaction forces. Analysis of fluorescence spectroscopy confirmed that isovitexin binding altered the conformation of the PL. Circular dichroism (CD) spectrum indicated that isovitexin altered the secondary structure of PL by decreasing the α‐helix content and increasing the β‐fold content. Molecular simulations further characterize the conformational changes produced by the interaction between isovitexin with PL. The performed study may provide a new insight into the inhibitory mechanism of isovitexin as a novel PL inhibitor.
Putting the ‘economy’ back in the circular economy
Authors: Valentine Scott Victor
Published: May 2024

This paper offers a business‐focused critique centring on the superordinate goal of circular economy (CE) strategy and advances an ideograph that can help economic planners and corporate leaders conceptualize CE strategies that meet the bifurcate goals of strengthening economic resilience while also attenuating resource footprints. The paper, based on critical discourse analysis (CDA) and supported by an extensive literature review, highlights the pervasive manner in which the CE is mischaracterized as a materials circulation (MC) strategy and demonstrates how an oft‐referenced ideograph—the Ellen MacArthur Foundation (EMF) Butterfly—graphically entrenches this characterization. The first contribution that this study makes centres on providing clarity on how CE principles can be integrated with corporate strategy to elevate competitive advantage through resource economic optimization (REO). The second contribution is the development of a reconceptualized ideograph—The Integrated Circular Economy (ICE) model—that better conveys how this strategic perspective on CE and be conflicted with economic networks to deliver better economic and environmental performance.
Disparities in treatment patterns and mortality in prostate cancer: Interaction between Black race and end‐stage kidney disease
Authors: Sarabu Nagaraju , Dong Weichuan , Koroukian Siran M.
Published: May 2024

Background

Black men and men with end‐stage kidney disease have lower rates of treatment and higher mortality for prostate cancer. We studied the interaction of end‐stage kidney disease (ESKD) with Black race for treatment rates and mortality for men with prostate cancer.

Methods and Results

We included 516 Black and 551 White men with ESKD before prostate cancer 22,299 Black men, and 141,821 White men without ESKD who were 40 years or older from the Surveillance, Epidemiology, and End‐Results‐Medicare data (2004–2016). All Black men with or without ESKD and White men with ESKD had higher prostate‐specific antigen levels at diagnosis than White men without ESKD. Black men with ESKD had the lowest rates for treatment in both local and advanced stages of prostate cancer (age‐adjusted risk ratio: 0.76, 95% Confidence Interval (CI): 0.71–0.82 for local stage and age‐adjusted risk ratio: 0.82, 95% CI: 0.76–0.9 for advanced stages) compared to White men without ESKD. Compared to White men without ESKD, prostate cancer‐specific mortality was higher in White men with ESKD for both local and advanced stages (age‐adjusted hazard ratio: 1.8, 95% CI: 1.2–2.8 and HR: 1.6, 95% CI: 1.2–2.2) and it was higher for ESKD Black men only in advanced stage prostate cancer (age‐adjusted hazard ratio: 2.4, 95% CI: 1.5–3.6).

Conclusion

Our findings suggest that having a comorbidity such as ESKD makes Black men more vulnerable to racial disparities in prostate cancer treatment and mortality.
Effect of nutrition impact symptoms on oral nutritional supplements energy intake and use days in patients with head and neck cancer: A cross‐sectional study
Authors: Dai Tingting , Xian Jinli , Li Xuemei , Wang Zhiqiang , Hu Wen
Published: May 2024

Background

This study aims to explore the effect of nutritional impact symptoms (NIS) on oral nutritional supplements (ONS) energy intake and use days among head and neck cancer (HNC) patients.

Methods

A cross‐sectional study was conducted among HNC patients in a hospital in western China between January 2019 and June 2020. The NIS was from the Patient‐Generated Subjective Global Assessment (PG‐SGA) scale. Mann–Whitney test was used to examine the differences between different kinds of NIS and ONS use days. Binary logistic regression was used to determine the effect of NIS on ONS energy intake.

Results

The most prevalent four NIS were no appetite (35.3%), dysphagia (29.4%), vomiting (13.2%) and oral pain (12.5%), respectively. All patients in the study were malnutrition. Patients with xerostomia or oral pain had less ONS use days than those without these symptoms. Patients with vomiting (OR 0.09, 95% CI 0.02–0.50) or pain (OR 0.15, 95% CI 0.02–0.89) were less likely to have ONS energy intake ≥400 kcal/day than those without these symptoms after adjusting the confounding factors. In addition, one‐point increase in total NIS score was associated with a lower proportion of ONS energy intake ≥400 kcal/day (OR 0.77, 95% CI 0.59–0.99).

Conclusion

Xerostomia, oral pain, vomiting and pain should be strengthened and intervened to improve ONS use and nutritional status among HNC patients with malnutrition.
“They don't care to study it”: Trust, race, and health care experiences among patient‐caregiver dyads with multiple myeloma
Authors: Grant Shakira J. , Mills Jiona A. , Telfair Joseph , Erisnor Gabriell , Wildes Tanya M. , Bates‐Fraser Lauren C. , Olshan Andrew F. , Kent Erin E. , Muss Hyman B. , Mihas Paul
Published: May 2024

Background

Medical mistrust, rooted in unethical research, is a barrier to cancer‐related health care for Black/African American (AA) persons. Understanding trust, mistrust, and health care experiences is crucial, especially in multiple myeloma (MM), which disproportionately burdens Black/AA persons in incidence and survival.

Study Purpose

This study qualitatively examines the experiences of Black/AA and White dyads (patient with MM and adult caregiver) to gain insights into these phenomena.

Methods

From November 2021 to April 2022, we recruited 21 dyads from the UNC Lineberger Comprehensive Cancer Center. Participants completed a sociodemographic survey and a 60–90 min semi‐structured interview. We used ATLAS.ti v9 for project management and to facilitate data analysis using the Sort and Sift, Think and Shift approach (ResearchTalk Inc).

Results

We interviewed 21 racially concordant dyads (11 Black/AA, 10 White) with mean patient ages of 70 (Black/AA) and 72 (White) at enrollment. Both Black/AA and White caregivers had a mean enrollment age of 68. The mean duration from MM diagnosis to enrollment for all patients was 5.5 years. Four key themes emerged: (1) knowledge and trust, (2) heightened emotions and discomfort, (3) differing mental constructs of health care experiences, and (4) mitigating mistrust, which varied by self‐identified race. Black/AA participants had greater knowledge of historical events like the U.S. Public Health Service Untreated Syphilis Study at Tuskegee and carried the emotional burden longer. They also emphasized self‐learning and self‐guided research about MM for informed medical decision‐making. Both Black/AA and White dyads emphasized the pivotal role of patient‐provider relationships and effective communication in fostering trust and addressing concerns.

Conclusion

Our study offers contextual insights into the enduring challenges of medical mistrust, particularly within the Black/AA community, and its implications for patients and caregivers accessing and receiving MM‐related care. Future studies should leverage these insights to guide the development of multilevel interventions addressing medical mistrust within the Black/AA community.
Strategies for increasing accrual in cancer clinical trials: What is the evidence?
Authors: Michaels Margo , Weiss Elisa S. , Sae‐Hau Maria , Illei Dora , Lilly Bethany , Szumita Leah , Connell Brian , Lee Marialanna , Cooks Eric , McPheeters Melissa
Published: May 2024

Introduction

Despite the importance of clinical trial participation among cancer patients, few participate—and even fewer patients from ethnic and racial minoritized groups. It is unclear whether suggested approaches to increase accrual are successful. We conducted a scoping review to identify evidence‐based approaches to increase participation in cancer treatment clinical trials that demonstrated clear increases in accrual. Notably, more stringent than other published reviews, only those studies with comparison data to measure a difference in accrual rates were included.

Methods

We searched PubMed/MEDLINE, Embase, CINAHL, and Web of Science for English‐language articles published from January 1, 2012, to August 8, 2022. Studies were included if they were conducted in the United States, described single or multicomponent interventions, and provided data to measure accrual relative to baseline levels or that compared accrual rates with other interventions.

Results

Sixteen articles were included: six with interventions addressing patient barriers, two addressing provider barriers, seven describing institutional change, and one describing policy change. Key themes emerged, such as a focus on patient education, cultural competency, and building the capacity of clinics. Few studies provide comparative accrual data, making it difficult to identify with certainty any effective, evidence‐based approaches for increasing accrual. Some patient‐ and system‐level interventions studies showed modest increases in accrual primarily through pre‐post measurement.

Conclusion

Despite an extensive body of literature about the barriers that impede cancer treatment trial accrual, along with numerous recommendations for how to overcome these barriers, results reveal surprisingly little evidence published in the last 10 years on interventions that increase accrual relative to baseline levels or compared with other interventions. As clinical trials are a primary vehicle through which we improve cancer care, it is critical that evidence‐based approaches are used to inform all efforts to increase accrual. Strategies for increasing participation in cancer clinical trials must be developed and rigorously evaluated so that these strategies can be disseminated, participation in trials can increase and become more equitable, and trial results can become more generalizable.
Incorporating a deep‐learning client outcome prediction tool as feedback in supported internet‐delivered cognitive behavioural therapy for depression and anxiety: A randomised controlled trial within routine clinical practice
Authors: Hisler Garrett C. , Young Katherine S. , Cumpanasoiu Diana Catalina , Palacios Jorge E. , Duffy Daniel , Enrique Angel , Keegan Dessie , Richards Derek
Published: May 2024

Introduction

Machine learning techniques have been leveraged to predict client psychological treatment outcomes. Few studies, however, have tested whether providing such model predictions as feedback to therapists improves client outcomes. This randomised controlled trial examined (1) the effects of implementing therapist feedback via a deep‐learning model (DLM) tool that predicts client treatment response (i.e., reliable improvement on the Patient Health Questionnaire‐9 [PHQ‐9] or Generalized Anxiety Disorder‐7 [GAD‐7]) to internet‐delivered cognitive behavioural therapy (iCBT) in routine clinical care and (2) therapist acceptability of this prediction tool.

Methods

Fifty‐one therapists were randomly assigned to access the DLM tool (vs. treatment as usual [TAU]) and oversaw the care of 2394 clients who completed repeated PHQ‐9 and GAD‐7 assessments.

Results

Multilevel growth curve models revealed no overall differences between the DLM tool vs. TAU conditions in client clinical outcomes. However, clients of therapists with the DLM tool used more tools, completed more activities and visited more platform pages. In subgroup analyses, clients predicted to be ‘not‐on‐track’ were statistically significantly more likely to have reliable improvement on the PHQ‐9 in the DLM vs. TAU group. Therapists with access to the DLM tool reported that it was acceptable for use, they had positive attitudes towards it, and reported it prompted greater examination and discussion of clients, particularly those predicted not to improve.

Conclusion

Altogether, the DLM tool was acceptable for therapists, and clients engaged more with the platform, with clinical benefits specific to reliable improvement on the PHQ‐9 for not‐on‐track clients. Future applications and considerations for implementing machine learning predictions as feedback tools within iCBT are discussed.
Synthesis, Characterization, Antimicrobial and In Silico Studies of Isatin Schiff Base Linked 1,2,3‐Triazole Hybrids
Authors: Kumar Vijay , Bhukal Akanksha , Raman Anirudh Pratap Singh , Singh Prashant , Lal Kashmiri
Published: May 2024

A new series of isatin‐Schiff base linked 1,2,3‐triazole hybrids has been synthesized using CuAAC approach from (E)‐3‐(phenylimino)‐1‐(prop‐2‐yn‐1‐yl)indolin‐2‐one derivatives in high yield (73–91 %). These synthesized derivatives were characterized using FT‐IR, 1H NMR, 13C NMR, 2D‐NMR and HRMS spectral techniques. The in vitro antimicrobial activity assay demonstrated that most of the tested hybrids exhibited promising activity. Compound 5 j displayed significant antibacterial efficacy against P. aeruginosa and B. subtilis with MIC value of 0.0062 μmol/mL. While, 5 j also showed better antifungal potency against A. niger with MIC value of 0.0123 μmol/mL. The docking studies of most promising compounds were performed with the well‐known antibacterial and antifungal targets i. e. 1KZ1, 5TZ1. Molecular modelling investigations demonstrated that hybrids 5 h and 5 l exhibited good interactions with 1KZN and 5TZ1, with binding energies of −9.6 and −11.0 kcal/mol, respectively. Further, molecular dynamics studies of the compounds showing promising binding interactions were also carried out to study the stability of complexes of these hybrids with both the targets.
Antiproliferative Potential of Essential Oil from the Leaves of Croton floribundus (Euphorbiaceae) Against Human Metastatic Melanoma Cell Lines
Authors: Garcia Daniela A. , Costa Lara P. D. M. , Rosa Welton , Ladvocat Ana C. C. P. , Dias Danielle F. , Soares Marisi G. , Ionta Marisa , Chagas‐Paula Daniela A.
Published: May 2024

Melanoma is a cancer type with high lethality, metastatic capacity, and limited therapeutic options. Different essential oils have been reported with antitumoral potential. Thus, the essential oil (EO) of the leaves of C. floribundus was obtained by hydrodistillation and analyzed by GC‐MS. The majority of substances annotated were β‐selinene, E‐Caryophyllene, and Premnaspirodiene. The cytotoxic activity of EO was evaluated on three melanoma cell lines SKMEL‐147, WM‐1366, and CHL‐1, which are representative of metastatic melanoma with different mutation profiles. The IC50 values found for EO were lower than temozolomide (reference drug) in all melanoma cell lines. In addition, the selectivity of EO was upward when compared to the reference drug. Interestingly, the WM‐1366 cell line was the most responsive, and these findings are very promising considering that it has shown high resistance to the plethora of compounds. Thus, the C. floribundus EO is a promising source to drive further studies for the development of new treatments for metastatic melanoma, which is urgently relevant given the resistance of this pathology to current treatments.
Synthesis and Antifungal Activity of Chalcone Derivatives Containing 1,3,4‐Thiadiazole
Authors: Zhang Tao , Liu Yi , Xin Hui , Tian Jiao , Deng Tianyu , Meng Kaini , An Youshan , Xue Wei
Published: May 2024

24 chalcone derivatives containing 1,3,4‐thiadiazole were synthesized. The results of bioactivity tests indicated that some of the target compounds exhibited superior antifungal activities in vitro. Notably, the EC50 value of D4 was 14.4 μg/mL against Phomopsis sp, which was significantly better than that of azoxystrobin (32.2 μg/mL) and fluopyram (54.2 μg/mL). The in vivo protective activity of D4 against Phomopsis sp on kiwifruit (71.2 %) was significantly superior to azoxystrobin (62.8 %) at 200 μg/mL. The in vivo protective activities of D4 were 74.4 and 57.6 % against Rhizoctonia solani on rice leaf sheaths and rice leaves, respectively, which were slightly better than those of azoxystrobin (72.1 and 49.2 %) at 200 μg/mL. Scanning electron microscopy (SEM) results showed that the mycelial surface collapsed, contracted and grew abnormally after D4 treatment. Finally, the results were further verified by in vivo antifungal assay, fluorescence microscopy (FM) observation, determination of relative conductivity, membrane lipid peroxidation degree assay, and determination of cytoplasmic content leakage. Molecular docking results suggested that D4 could be a potential SDHI.
TRIM47 promotes HDM‐induced bronchial epithelial pyroptosis by regulating NEMO ubiquitination to activate NF‐κB/NLRP3 signaling
Authors: Zhan Wenjuan , Zhang Huifang , Su Yufei , Yin Li
Published: May 2024

Asthma is an inflammatory disease. Airway epithelial cell pyroptosis and cytokine secretion promote asthma progression. Tripartite motif 47 (TRIM47) belongs to the E3 ubiquitin ligase family and is associated with apoptosis and inflammation in a range of diseases. However, the role of TRIM47 in asthma has not been explored. In this study, the human bronchial epithelial cell line BEAS‐2B was treated with house dust mite (HDM) and TRIM47 expression was detected by RT‐qPCR and Western blot. After transfection with TRIM47 interfering and overexpressing plasmids, the synthesis and secretion of cytokines, as well as pyroptosis‐related indicators, were examined. Nuclear factor kappa‐B (NF‐κB) pathway proteins and nod‐like receptor protein 3 (NLRP3) inflammasome were measured to explore the mechanism of TRIM47 action. In addition, the effect of TRIM47 on the level of NF‐κB essential modulator (NEMO) ubiquitination was detected by an immunoprecipitation assay. The results showed that TRIM47 was upregulated in HDM‐induced BEAS‐2B cells and that TRIM47 mediated HDM‐induced BEAS‐2B cell pyroptosis and cytokine secretion. Mechanistically, TRIM47 promoted the K63‐linked ubiquitination of NEMO and facilitated NF‐κB/NLRP3 pathway activation. In conclusion, TRIM47 may promote cytokine secretion mediating inflammation and pyroptosis in bronchial epithelial cells by activating the NF‐κB/NLRP3 pathway. Therefore, TRIM47 may be a potential therapeutic target for HDM‐induced asthma.
Ru/CeTX (T=Ti, Sc; X=Ge, Si) Intermetallic Catalysts for NH3 Synthesis at Low Temperature (300 °C): Insight into Composition and Related Mechanisms.
Authors: Croisé Charlotte , Alabd Khaled , Tencé Sophie , Gaudin Etienne , Villesuzanne Antoine , Courtois Xavier , Bion Nicolas , Can Fabien
Published: May 2024

Because of its current and future intensive use, the synthesis of sustainable ammonia is of major concern. This study focuses on highlighting the mechanistic behaviours of NH3 production from molecular nitrogen and hydrogen on ruthenium materials supported on cerium‐based ternary intermetallics. An interesting activity is reported for Ru/CeTX materials (T=Sc, Ti; X=Si, Ge) with an ammonia production rate around 0.60 mmolNH3 h−1 g−1 at only 300 °C and 1 bar. While the activity at 400 °C appeared attributable to the N≡N cleavage activation, this low‐temperature activity is no longer correlated with this parameter, but rather to the behaviour regarding hydrogen and especially the ability of cerium‐based intermetallic materials to desorb hydrogen from the structure, supporting an associative‐type mechanism.
Unique Reactivity of the 1,4‐Bis(silyloxy)‐1,3‐cyclopentadiene Moiety: Application to the Synthesis of 7‐Norbornanone Derivatives
Authors: Ikeuchi Kazutada , Hirokawa Yoshito , Sasage Tomonari , Fujii Ryo , Yoshitani Akihiro , Suzuki Takahiro , Tanino Keiji
Published: May 2024

We describe a method for the synthesis of various 2‐silyloxy‐2‐norbornen‐7‐ones by exploiting the specific reactivity of the 1,4‐bis(silyloxy)‐1,3‐cyclopentadiene framework, which is generated by the silylation of a 2,2‐disubstituted‐1,3‐cyclopentanedione bearing a picolinoyloxy group at the 2′ position of its C‐2 side chain. The release of the acyloxy group during the reaction generates carbocations that are then attacked by silyloxy‐substituted carbons in the 1,4‐bis(silyloxy)‐1,3‐cyclopentadiene moiety skeleton, forming a 4,5‐cis‐fused ring skeleton. Skeletal rearrangement of the bicyclic core results in the formation of the corresponding 2‐silyloxy‐2‐norbornen‐7‐one. This novel transformation of 1,3‐cyclopentanedione moieties can be used to synthesise other cyclopentenone‐fused bicyclic frameworks.
Counting the truxillines—11 or more, the question is now
Authors: Portada Tomislav , Brkljača Zlatko
Published: May 2024

Truxillines are a group of tropane alkaloids present in coca leaves that are formed by photochemical dimerization of cinnamoylcocaine(s). Proportion of different truxilline forms present in cocaine serves as its geographical, manufacture, and storage “fingerprint”; thus, the quantitative determination of truxilline content represents one of the powerful methods of analysis and characterization of cocaine samples. Contrary to the statements repeatedly presented in the literature, namely, that there exist exactly 11 truxillines and that every single truxilline is diastereomer of any other, here we show that, in fact, a total of 15 truxillines exist, which can be divided in two structurally isomeric groups—five mutually diastereomeric truxillates and 10 mutually diastereomeric truxinates.
Neue Kohlenstoff‐Moleküle
Authors: Groß Michael
Published: May 2024

Durch Manipulation von Einzelmolekülen im Rastermikroskop gelang die Synthese von neuartigen Allotropen des Kohlenstoffs, die sich als ringförmig geschlossene Polyine beschreiben lassen. Sowohl aromatische als auch anti‐aromatische Ringe sind inzwischen charakterisiert.
Malignant risk of pediatric Bethesda category III thyroid nodules subcategorized by nuclear atypia and other: A single institution experience
Authors: Jin Xiaobing , Jing Xin , Smola Brian , Heider Amer
Published: May 2024

Background

The 2023 Bethesda System for Reporting Thyroid Cytopathology (TBSRTC) divides AUS diagnoses into two major subcategories: atypia of undetermined significance (AUS) nuclear atypia (AUS‐N) and other (AUS‐O). This study aims to compare the histological outcome and malignant rate of pediatric AUS thyroid nodules classified into AUS‐N and AUS‐O subcategories.

Design

A search of our institutional electronic pathology database for the period from January 2012 to July 2023 was conducted to identify pediatric (<21 years old) thyroid nodules that were interpreted as AUS and subsequently had surgery. Cases were further divided into AUS‐N and AUS‐O subcategories. Results of follow‐up surgical resections were collected. The malignant rate was calculated and compared between AUS‐N and AUS‐O groups.

Results

The study identified 62 thyroid nodules from 58 pediatric patients. Among these nodules, 29 and 33 were subcategorized as AUS‐N and AUS‐O, respectively. Both groups exhibited a female predominance and displayed a similar nodule size distribution. Histological analysis revealed 15 carcinomas in AUS‐N nodules, including 11 cases of classic papillary thyroid carcinoma (PTC) and four cases of follicular type of PTC. In contrast, in the AUS‐O group, a total of five carcinomas were documented, including two PTCs and three oncocytic thyroid carcinomas. Notably, the malignant rate of AUS‐N nodules (52%) is significantly higher than that of AUS‐O nodules (15%) (p = .002).

Conclusion

In pediatric AUS thyroid nodules, the malignant risk in AUS‐N is significantly higher than that in AUS‐O. These findings may guide more appropriate clinical triage and/or improve management of pediatric patients with AUS thyroid nodules.
Mixed Matrix Pt‐Carbon Nanofiber Polyethersulfone Catalytic Membranes for Glucose Dehydrogenation
Authors: van der Made Dirk , van Keulen Ellis , van Haasterecht Tomas , Bitter Johannes Hendrik , Weber Martin , Tashvigh Akbar Asadi
Published: May 2024

The advancement of technologies for producing chemicals and materials from non‐fossil resources is of critical importance. An illustrative example is the dehydrogenation of glucose, to yield gluconic acid, a specialty chemical. In this study, we propose an innovative production route for gluconic acid while generating H2 as a co‐product. Our concept involves a dual‐function membrane, serving both as a catalyst for glucose dehydrogenation into gluconic acid and as a means to efficiently remove the produced H2 from the reaction mixture. To achieve this two membranes were developed, one catalytically active and one dense aimed at H2 removal. The catalytic membrane showed significant activity, yielding 16 % gluconic acid (t=120 min) with a catalyst selectivity of 93 % and stable performance over five consecutive cycles. Incorporating the H2 separating membrane showed the significance of H2 removal in driving the reaction forward. Its inclusion led to a twofold increase in gluconic acid yield, aligning with Le Chatelier's principles. As a future prospect the two layers can be combined into a dual‐layer membrane which opens the way for a new production route to simultaneously produce gluconic acid and H2, using high‐throughput reactors such as hollow‐fiber systems.
The extended finite element method in endodontics: A scoping review and future directions for cyclic fatigue testing of nickel–titanium instruments
Authors: Chien Philip Yuan‐Ho , Walsh Laurence James , Peters Ove Andreas
Published: May 2024

Objectives

The present study reviews the current literature regarding the utilization of the extended finite element method (XFEM) in clinical and experimental endodontic studies and the suitability of XFEM in the assessment of cyclic fatigue in rotary endodontic nickel–titanium (NiTi) instruments.

Material and Methods

An electronic literature search was conducted using the appropriate search terms, and the titles and abstracts were screened for relevance. The search yielded 13 hits after duplicates were removed, and four studies met the inclusion criteria for review.

Results

No studies to date have utilized XFEM to study cyclic fatigue or crack propagation in rotary endodontic NiTi instruments. Challenges such as modelling material inputs and fatigue criteria could explain the lack of utilization of XFEM in the analysis of mechanical behavior in NiTi instruments.

Conclusions

The review showed that XFEM was seldom employed in endodontic literature. Recent work suggests potential promise in using XFEM for modelling NiTi structures.
How corporate climate change mitigation actions affect the cost of capital
Authors: Wang Yizhou , Shen Siyu , Xie Jun , Fujii Hidemichi , Keeley Alexander Ryota , Managi Shunsuke
Published: May 2024

Japan has been at the forefront of global efforts to accelerate climate change mitigation. Japanese firms have led in the development of decarbonization technologies and have positively disclosed climate change‐related information based on the Task Force on Climate‐related Financial Disclosures recommendations to address climate change. We explore the relationship between corporate climate change mitigation actions and the cost of capital for 2100 Japanese listed companies from 2017 to 2021. The results reveal that a higher carbon intensity correlates with an increased cost of equity, debt, and weighted average cost of capital. Interestingly, although climate‐related information disclosure is associated with an increased cost of debt, it concurrently lowers the cost of equity and overall capital. This research recommends strategic approaches for firms to reduce their costs of capital while proactively combating climate change, highlighting the divergent responses of equity and bond markets to decarbonization initiatives.
Influence of F‐Containing Materials on Perovskite Solar Cells
Authors: Dong Kaiwen , Zhu Lina , Yang Guangyue , Zheng Likai , Wang Yuehui , Zhang Bingqian , Zhou Jierui , Bian Jiming , Zhang Fengshan , Yu Shitao , Liu Shiwei , Wang Minhuan , Xiao Juan‐Ding , Guo Xin , Jiang Xiaoqing
Published: May 2024

Perovskite solar cells (PSCs) are usually modified and passivated to improve their performance and stability. The interface modification and bulk doping are the two basic strategies. Fluorine (F)‐containing materials are highly favored because of their unique hydrophobicity and coordination ability. This review discusses the basic characteristics of F, and the basic principles of improving the photovoltaic performance and stability of PSC devices using F‐containing materials. We systematically summarized the latest progress in the application of F‐containing materials to achieve efficient and stable PSCs on several key interface layers. It is believed that this work will afford significant understanding and inspirations toward the future application directions of F‐containing materials in PSCs, and provide profound insights for the development of efficient and stable PSCs.
Sulfite‐Assisted Acetate Conversion from CO Electroreduction
Authors: Ma Jiaxing , Liu Tianyang , Hao Shuya , Yan Shuai , Xu Zikai , Yang Songtao , Shen Haifeng , Jing Yu , Peng Chen
Published: May 2024

The efficient acetate conversion from CO electroreduction is challenging due to the poor selectivity at high reaction rate, which requires the competition with H2 and other C2+ (i. e., ethylene, ethanol, n‐propanol) reduction products. Electrolyte engineering is one of the efficient strategies to regulate the reaction microenvironment. In this work, the adding of sulfite (SO32−) with high nucleophilicity in KOH electrolytes was demonstrated to enable improving the CO‐to‐acetate conversion via generating a S−O chemical bond between SO32− and oxygenated *C2 intermediates (i. e., *CO−CO, *CO−COH) compared with that in pure KOH system on both synthesized Cu(200)‐ and normal commercial Cu(111)‐facets‐exposed metallic Cu catalysts. As a result, the prepared Cu(200)‐facets‐exposed metallic Cu catalyst with surface ions modification showed an superior Faradaic efficiency of 63.6 % at −0.6 A ⋅ cm−2, and extraordinary absolute value of peak partial current density as high as 1.52 A ⋅ cm−2 with adding SO32− in KOH electrolytes, compared to the best reported values in both CO and CO2 electroreduction. Our work suggests an attractive strategy to introduce the oxyanion with high nucleophilicity in electrolytes to regulate the microenvironment for industrial‐current‐density electrosynthesis of acetate from CO electroreduction.
Modulated model predictive current control technique for triple‐boost seven‐level switched capacitor‐based inverter topology
Authors: Bhanuchandar Aratipamula , Murthy Bhagwan K.
Published: May 2024

Traditionally, the finite control set‐based model predictive current control technique (MPC2T) inherently wrenches from the variable switching frequency of operation. To obtain the fixed switching frequency of operation, different types of predictive control approaches have been reported in the literature. However, these are complex while going to single‐phase higher‐level inverter topologies and are not to be generalized in a simple manner. In this paper, a new generalized modulated MPC2T has been proposed for single‐phase switched capacitor‐based multilevel inverter (SC‐MLI) topologies. In this technique, the optimum inverter output voltage (O‐IOV) has been generated by nullifying the derivative of the cost function. The normalized O‐IOV is fed to a new single modulating floor function (F2) single carrier‐based pulse width modulation technique. Compared to all routine PWM approaches, this specific F2‐based modulation stage is extremely straightforward even for higher‐level inverter topologies. The sensorless voltage balancing of switched capacitor topologies completely eradicates the need for weighting factors in predictive algorithms. To verify the robustness and performance of the perspicuous proposed technique, the conventional triple boost SC‐MLI topology has been considered and elucidated with the different steady and dynamic operation of results.
Identifying microbial drivers in biological phenotypes with a Bayesian network regression model
Authors: Ozminkowski Samuel , Solís‐Lemus Claudia
Published: May 2024

In Bayesian Network Regression models, networks are considered the predictors of continuous responses. These models have been successfully used in brain research to identify regions in the brain that are associated with specific human traits, yet their potential to elucidate microbial drivers in biological phenotypes for microbiome research remains unknown. In particular, microbial networks are challenging due to their high dimension and high sparsity compared to brain networks. Furthermore, unlike in brain connectome research, in microbiome research, it is usually expected that the presence of microbes has an effect on the response (main effects), not just the interactions. Here, we develop the first thorough investigation of whether Bayesian Network Regression models are suitable for microbial datasets on a variety of synthetic and real data under diverse biological scenarios. We test whether the Bayesian Network Regression model that accounts only for interaction effects (edges in the network) is able to identify key drivers (microbes) in phenotypic variability. We show that this model is indeed able to identify influential nodes and edges in the microbial networks that drive changes in the phenotype for most biological settings, but we also identify scenarios where this method performs poorly which allows us to provide practical advice for domain scientists aiming to apply these tools to their datasets. BNR models provide a framework for microbiome researchers to identify connections between microbes and measured phenotypes. We allow the use of this statistical model by providing an easy‐to‐use implementation which is publicly available Julia package at https://github.com/solislemuslab/BayesianNetworkRegression.jl.
Distribution patterns of the two genetic groups of Corbicula fluminea in a lotic–lentic system
Authors: Jia Meixiang , Cheng Fei , Li Jin , Schmidt Bjorn Victor , Li Yacheng , Xie Songguang
Published: May 2024

Differences in local habitat conditions are often implicated as drivers for morphological and genetic divergence in natural populations. However, there are still relatively few studies regarding how divergent habitats influence patterns for morphotypes and genetic lineages in aquatic invertebrates. In this study, we explored the morphological patterns, genetic divergence, and distributions of a bivalve, Corbicula fluminea, in a lotic–lentic system. Sampling locations included lotic, ecotone, and lentic habitats. First, we found two lineages (Lineages A and B) with significant genetic divergence that primarily corresponded to two morphotypes (Morphs D and C) of C. fluminea. Lineage A consisted of 88.68% Morph D (shell sculpture: 8–14 ridges/cmsh) and 11.32% Morph C (shell sculpture: 15 ridges/cmsh) individuals and had genetic similarity to invasive populations. Lineage B consisted of only Morph C (shell sculpture: 15–23 ridges/cmsh). Second, we revealed clear effects of habitat on the spatial distribution patterns for the two lineages of C. fluminea. Lineage A was dominant in lotic habitats, with a significantly higher density than that of Lineage B in these locations. Lineage B was dominant in lentic habitats. However, both lineages had their highest densities in the ecotone habitat, without clear dominance and no significant difference in density between groups. Individuals of Lineages A and B are different in shell morphology, which may be related to a benefit trade‐off between shell shapes that allow for rapid burrowing and holding position in different flow conditions. The distribution patterns indicate that Lineages A and B may not prefer uniquely lotic and lentic habitats, but each lineage is more tolerant to one habitat type, respectively. Generally, our study established a correlation among morphotypes, lineages, and different habitats for C. fluminea along a lotic–lentic gradient system, which has important implementations for fisheries management units and for understanding the role of habitat preference for this species in monitoring for pioneer dispersal in invasive species management.
Future climatically suitable areas for bats in South Asia
Authors: Srinivasulu Aditya , Zeale Matt R. K. , Srinivasulu Bhargavi , Srinivasulu Chelmala , Jones Gareth , González‐Suárez Manuela
Published: May 2024

Climate change majorly impacts biodiversity in diverse regions across the world, including South Asia, a megadiverse area with heterogeneous climatic and vegetation regions. However, climate impacts on bats in this region are not well‐studied, and it is unclear whether climate effects will follow patterns predicted in other regions. We address this by assessing projected near‐future changes in climatically suitable areas for 110 bat species from South Asia. We used ensemble ecological niche modelling with four algorithms (random forests, artificial neural networks, multivariate adaptive regression splines and maximum entropy) to define climatically suitable areas under current conditions (1970–2000). We then extrapolated near future (2041–2060) suitable areas under four projected scenarios (combining two global climate models and two shared socioeconomic pathways, SSP2: middle‐of‐the‐road and SSP5: fossil‐fuelled development). Projected future changes in suitable areas varied across species, with most species predicted to retain most of the current area or lose small amounts. When shifts occurred due to projected climate change, new areas were generally northward of current suitable areas. Suitability hotspots, defined as regions suitable for >30% of species, were generally predicted to become smaller and more fragmented. Overall, climate change in the near future may not lead to dramatic shifts in the distribution of bat species in South Asia, but local hotspots of biodiversity may be lost. Our results offer insight into climate change effects in less studied areas and can inform conservation planning, motivating reappraisals of conservation priorities and strategies for bats in South Asia.
Floral resource wastage: Most nectar produced by the mass‐flowering crop oilseed rape (Brassica napus) is uncollected by flower‐visiting insects
Authors: Harris Ciaran , Balfour Nicholas J. , Ratnieks Francis L. W.
Published: May 2024

Cultivation of the mass‐flowering crop oilseed rape (OSR), Brassica napus, can provide insects with super‐abundant nectar and pollen while in bloom. Several authors have suggested breeding cultivars to produce more abundant nectar and pollen to help mitigate insect decline. However, in Britain most, 95%, OSR blooms in spring (March–May), which has been suggested to be a period of nectar surplus and reduced exploitative competition. Therefore, a large proportion of floral resources produced by OSR during this period may be uncollected. Although there has been extensive work examining OSR nectar and pollen production, no study, to our knowledge, has measured this in relation to the demand by the flower‐visiting insects. Here we quantified the percentage of nectar produced by spring blooming OSR which was uncollected in four OSR fields per year over 2 years. This was achieved by measuring the nectar in both insect accessible and inaccessible (i.e. mesh‐covered) flowers. We also quantified uncollected pollen in flowers at the beginning and the end of anthesis using a haemocytometer. Most of the nectar (69%) and a fifth of pollen (19%) was uncollected in spring blooming OSR. Based on the estimates of nectar production and observed number of insects, nectar supply per insect was estimated at 2204 μL nectar insect−1 h−1, which exceeds potential collection rates by flower‐visiting insects. Given the majority of B. napus is spring blooming, breeding cultivars of OSR which produce more nectar, while not being detrimental to flower‐visiting insects, may be of little conservation benefit.