bluuebunny/crossref_metadata_2025 huggingface dataset:
Advancement of Methanol Purity in CO2 Hydrogenation Process Through Design Optimization, Multistage Compression Simulation, and Purification Model Refinement
Authors: Verani Serlyna Maulidya , Azhari Tanaya Labita , Ridani Nuraida , Nurardani Muhammad Romy
Published: February 2025

Rising greenhouse gas emissions, particularly CO2, present significant environmental challenges. The goal of this study is to improve methanol synthesis using CO2 hydrogenation, with an emphasis on increasing purity. To accurately restrict temperature rises during CO2 compression, we did simulations with Aspen HYSYS V11 and a multistage compression approach.  Two notable alterations included the insertion of an absorber unit to improve methanol purity and the recycling of separator outputs. The results show that these process innovations save energy and raw resources while significantly improving methanol output. The findings demonstrate the viability of CO2 hydrogenation as an environmentally beneficial method of producing methanol, which reduces greenhouse gas emissions while still providing a viable chemical feedstock. Copyright © 2025 by Authors, Published by Universitas Diponegoro and BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).
Optimization of Acetic Acid Production Process Using the Cativa Method for Increasing Product Purity
Authors: Salma Aliya Farrasty , Ramadhan Gilang , Maharani Nina Yunita , Fatimah Rachel Salwa
Published: February 2025

Acetic acid finds extensive application in the food, chemical, pharmaceutical, polymer, paint, and textile industries. Considering these applications, acetic acid production needs to be optimized for high efficiencies in both energy and mass in order to maximize profit. In this work, we will be explaining how one could maximize the yield of acetic acid and show results on purity analysis. By modifying the process, the previous reactor was replaced, and the separation unit was removed. Whereas case study tools in Aspen HYSYS V12 were used in order to carry out the purity analysis of the current modified process. According to these process modifications, the acetic acid yield increased from 85.00% to 100% purity. The results of the case study of acetic acid production indicate that the higher the mole fraction ratio of acetic acid to the total product mole fraction, the higher the purity of the liquid product produced from the reactor. Conversely, if the mole fraction ratio of acetic acid to the total product mole fraction decreases, the purity of the liquid product will be reduced, which means that an increase in the mole fraction of by-products or contaminants occurred in the mixture. Copyright © 2025 by Authors, Published by Universitas Diponegoro and BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).
Vergütung und Haftung des nichtig bestellten besonderen Vertreters nach der Entscheidung des BGH v. 17.9.2024 – II ZR 221/22
Authors: Unmuth Nikolai , Waimer Max Paul
Published: February 2025

Im September 2024 erging eine wegweisende und folgenschwere Entscheidung des BGH zur Vergütung und zur Haftung eines von der Hauptversammlung nichtig bestellten besonderen Vertreters (BGH v. 17.9.2024 - II ZR 221/22, AG 2025, 29). Der II. Zivilsenat hatte sich u.a. damit auseinanderzusetzen, ob die Lehre vom fehlerhaft bestellten Organ auf den nichtig bestellten besonderen Vertreter Anwendung findet, ob der besondere Vertreter Anspruch auf volle Vergütung hat und ob er haftet, wenn er Ansprüche geltend macht, obwohl sie offensichtlich aussichtslos sind. Der Beitrag ordnet die Entscheidung ein, nimmt zu einzelnen Fragen Stellung und zeigt Folgen für die Praxis auf.
Die Auslegung des § 15 UmwStG im überarbeiteten Umwandlungssteuer-Erlass vom 2.1.2025 – Ein erster Überblick
Authors: Schumacher Andreas , Schaumburg Flick Gocke
Published: February 2025

Am 2.1.2025 wurde der überarbeitete Umwandlungssteuer-Erlass veröffentlicht. Er enthält - u.a. wegen der Änderung des § 15 Abs. 2 Satz 2 ff. UmwStG durch das Wachstumschancengesetz - praxisrelevante Änderungen hinsichtlich der steuerlichen Behandlung der Auf- und Abspaltung von Kapitalgesellschaften. Dieser Beitrag gibt einen ersten Überblick über die wesentlichen Änderungen.
Recreational and Medical Cannabis Legalization and Opioid Prescriptions and Mortality
Authors: Nguyen Hai V. , McGinty Emma E. , Mital Shweta , Alexander G. Caleb
Published: January 2024

Importance

While some have argued that cannabis legalization has helped to reduce opioid-related morbidity and mortality in the US, evidence has been mixed. Moreover, existing studies did not account for biases that could arise when policy effects vary over time or across states or when multiple policies are assessed at the same time, as in the case of recreational and medical cannabis legalization.

Objective

To quantify changes in opioid prescriptions and opioid overdose deaths associated with recreational and medical cannabis legalization in the US.

Design, Setting, and Participants

This quasiexperimental, generalized difference-in-differences analysis used annual state-level data between January 2006 and December 2020 to compare states that legalized recreational or medical cannabis vs those that did not.

Intervention

Recreational and medical cannabis law implementation (proxied by recreational and medical cannabis dispensary openings) between 2006 and 2020 across US states.

Main Outcomes and Measures

Opioid prescription rates per 100 persons and opioid overdose deaths per 100 000 population based on data from the US Centers for Disease Control and Prevention.

Results

Between 2006 and 2020, 13 states legalized recreational cannabis and 23 states legalized medical cannabis. There was no statistically significant association of recreational or medical cannabis laws with opioid prescriptions or overall opioid overdose mortality across the 15-year study period, although the results also suggested a potential reduction in synthetic opioid deaths associated with recreational cannabis laws (4.9 fewer deaths per 100 000 population; 95% CI, −9.49 to −0.30; P = .04). Sensitivity analyses excluding state economic indicators, accounting for additional opioid laws and using alternative ways to code treatment dates yielded substantively similar results, suggesting the absence of statistically significant associations between cannabis laws and the outcomes of interest during the full study period.

Conclusions and Relevance

The results of this study suggest that, after accounting for biases due to possible heterogeneous effects and simultaneous assessment of recreational and medical cannabis legalization, the implementation of recreational or medical cannabis laws was not associated with opioid prescriptions or opioid mortality, with the exception of a possible reduction in synthetic opioid deaths associated with recreational cannabis law implementation.
Euopisthobranchs: Musculature
Authors: Lobo‐da‐Cunha Alexandre , Bartolomaeus Thomas , Malaquias Manuel A. E.
Published: January 2024

Muscular systems of euopisthobranchs comprise body muscles and the muscular tissue of internal organs. Body wall musculature is stronger in species without a shell or with a reduced shell. Most euopisthobranchs have a muscular ventral foot for benthic locomotion. However, in pteropods, the foot is highly modified into wing‐like parapodia used for swimming, and other euopisthobranchs also possess muscular parapodia. In euopisthobranchs the musculature is markedly developed around the buccal cavity, in the esophagus, and in the gizzard in species that have a gizzard. Muscle cells contain a contractile system made of thin and thick myofilaments. Thin myofilaments consist of actin associated with other proteins, and thick myofilaments are formed by a paramyosin core coated with myosin molecules. Electron‐dense bodies are points of attachment for thin myofilaments, which are also linked to the cell membrane. Smooth muscle fibers are the most common type of muscle cell in euopisthobranchs. In these cells, the electron‐dense bodies are scattered in the cytoplasm, and a striated pattern is not formed. Caveolae are very abundant in the cell membrane of these muscle fibers. As in other mollusks, transversely striated muscle fibers are not common in euopisthobranchs, being present in the heart and a few other muscles. In these cells, a transverse striation is created by the alignment of contractile units formed by thin and thick myofilaments that resemble the sarcomeres of vertebrates, but with discontinuous Z‐lines.
Ketocyanine‐Based Fluorescent Probe Revealing the Polarity Heterogeneity of Lipid Droplets and Enabling Accurate Diagnosis of Hepatocellular Carcinoma
Authors: He Deming , Yan Minmin , Sun Qiuling , Zhang Mingwei , Xia Yu , Sun Yuanqiang , Li Zhaohui
Published: January 2024

Hepatocellular carcinoma (HCC) has gradually become a pronoun for terrifying death owing to its high mortality rate. With the progression of HCC, lipid droplets (LDs) in HCC cells exhibit specific variations such as increased LDs number and decreased polarity, which can serve as the diagnostic target. However, developing an effective method to achieve HCC diagnosis and reveal LDs polarity heterogeneity is still a crucial challenge. Herein, the first high‐performance LDs‐targeting probe (1) is reported based on ketocyanine strategy with ultrasensitive polarity‐responding ability and near‐infrared emission. Probe 1 shows excellent sensitivity to polarity parameter Δf (0.027–0.290) with 808‐fold fluorescence enhancement and the emission wavelength red‐shifts 91 nm. In HCC cells, probe 1 shows a 2.5‐ to 5.9‐fold fluorescence enhancement compared with normal and other cancer cells which exceeds clinical threshold of 2.0, indicating probe 1 can distinguish HCC cells. The LDs polarity heterogeneity is revealed and it displays a sequence, HCC cells < other cancer cells < normal cells, which may provide useful insight to engineer LDs‐targeting probes for HCC cell discrimination. Finally, probe 1 realizes accurate HCC diagnosis on the cellular, organ, and in vivo levels, providing a satisfying tool for clinical HCC diagnosis and surgical navigation.
Responsively Degradable Nanoarmor‐Assisted Super Resistance and Stable Colonization of Probiotics for Enhanced Inflammation‐Targeted Delivery
Authors: Zhu Limeng , Yu Tiantian , Wang Wenchao , Xu Tong , Geng Wujun , Li Na , Zan Xingjie
Published: January 2024

Manipulation of the gut microbiota using oral microecological preparations has shown great promise in treating various inflammatory disorders. However, delivering these preparations while maintaining their disease‐site specificity, stability, and therapeutic efficacy is highly challenging due to the dynamic changes associated with pathological microenvironments in the gastrointestinal tract. Herein, a superior armored probiotic with an inflammation‐targeting capacity is developed to enhance the efficacy and timely action of bacterial therapy against inflammatory bowel disease (IBD). The coating strategy exhibits suitability for diverse probiotic strains and has negligible influence on bacterial viability. This study demonstrates that these armored probiotics have ultraresistance to extreme intraluminal conditions and stable mucoadhesive capacity. Notably, the HA‐functionalized nanoarmor equips the probiotics with inflamed‐site targetability through multiple interactions, thus enhancing their efficacy in IBD therapy. Moreover, timely “awakening” of ingested probiotics through the responsive transferrin‐directed degradation of the nanoarmor at the site of inflammation is highly beneficial for bacterial therapy, which requires the bacterial cells to be fully functional. Given its easy preparation and favorable biocompatibility, the developed single‐cell coating approach provides an effective strategy for the advanced delivery of probiotics for biomedical applications at the cellular level.
Atomic‐Scale Visualization of Multiferroicity in Monolayer NiI2
Authors: Amini Mohammad , Fumega Adolfo O. , González‐Herrero Héctor , Vaňo Viliam , Kezilebieke Shawulienu , Lado Jose L. , Liljeroth Peter
Published: January 2024

Progress in layered van der Waals materials has resulted in the discovery of ferromagnetic and ferroelectric materials down to the monolayer limit. Recently, evidence of the first purely 2D multiferroic material was reported in monolayer NiI2. However, probing multiferroicity with scattering‐based and optical bulk techniques is challenging on 2D materials, and experiments on the atomic scale are needed to fully characterize the multiferroic order at the monolayer limit. Here, scanning tunneling microscopy (STM) supported by density functional theory (DFT) calculations is used to probe and characterize the multiferroic order in monolayer NiI2. It is demonstrated that the type‐II multiferroic order displayed by NiI2, arising from the combination of a magnetic spin spiral order and a strong spin‐orbit coupling, allows probing the multiferroic order in the STM experiments. Moreover, the magnetoelectric coupling of NiI2 is directly probed by external electric field manipulation of the multiferroic domains. The findings establish a novel point of view to analyze magnetoelectric effects at the microscopic level, paving the way toward engineering new multiferroic orders in van der Waals materials and their heterostructures.
Tunable Nano‐Bending Structures of Loosened/Tightened Lassos with Bi‐Stable Vibration‐Induced Emissions for Multi‐Manipulations of White‐Light Emissions and Sensor Applications
Authors: Trung Nguyen Thanh , Chiu Chun‐Hao , Cuc Tu Thi Kim , Khang Trang Manh , Jalife Said , Nhien Pham Quoc , Hue Bui Thi Buu , Wu Judy I. , Li Yaw‐Kuen , Lin, Hong‐Cheu
Published: January 2024

The first tunable nano‐bending structures of [1]rotaxane containing a single‐fluorophoric N,N′‐diphenyl‐dihydrodibenzo[a,c]phenazine (DPAC) moiety (i.e., [1]RA) are developed as a loosened lasso structure to feature the bright white‐light emission [CIE (0.27, 0.33), Φ = 21.2%] in THF solution, where bi‐stable states of bending and twisted structures of DPAC unit in [1]RA produce cyan and orange emissions at 480 and 600 nm, respectively. With acid/base controls, tunable loosened/tightened nano‐loops of corresponding [1]rotaxanes (i.e., [1]RA/[1]RB) can be achieved via the shuttling of macrocycles reversibly, and thus to adjust their respective white‐light/cyan emissions, where the cyan emission of [1]RB is obtained due to the largest conformational constraint of DPAC moiety in its bending form of [1]RB with a tightened lasso structure. Additionally, the non‐interlocked analog M‐Boc only shows the orange emission, revealing the twisted form of DPAC fluorophore in M‐Boc without any conformational constraint. Moreover, the utilization of solvents (with different viscosities and polarities), temperatures, and water fractions could serve as effective tools to adjust the bi‐stable vibration‐induced emission (VIE) colors of [1]rotaxanes. Finally, tuning ratiometric emission colors of adaptive conformations of DPAC moieties by altering nano‐bending structures in [1]rotaxanes and external stimuli can be further developed as intelligent temperature and viscosity sensor materials.
Advanced Technologies and Applications of Robotic Soft Grippers
Authors: Qu Juntian , Yu Zhenping , Tang Wei , Xu Yining , Mao Baijin , Zhou Kunyu
Published: January 2024

The robotic soft gripper is a significant and expanding area of study. It is primarily a unique gadget that interacts with the external environment in a certain actuating mode by utilizing the properties of flexible materials and biological shape design. Robotic grippers are increasingly needed in the fields of medical operations, auxiliary maintenance, land rescue, underwater grasping, and space manipulation due to the increasing demand for automation. However, conventional rigid gripper is not the ideal option or optimal design for particular activities requiring a high degree of adaptation and interaction. The soft gripper can interact with its surroundings safely and flexibly because it is comprised of flexible materials. Currently, certain technical system has been developed through research on flexible grippers, but it is still in its infancy. This paper reviews the materials and manufacturing technology, actuating technology, and sensing and control technology of flexible mechanical grippers. Finally, several main application areas of soft grippers are discussed from a technical point of view, as well as possible challenges for further development.
Highly Customizable 3D Microelectrode Arrays for In Vitro and In Vivo Neuronal Tissue Recordings
Authors: Abu Shihada J. , Jung M. , Decke S. , Koschinski L. , Musall S. , Rincón Montes V. , Offenhäusser A.
Published: January 2024

Planar microelectrode arrays (MEAs) for – in vitro or in vivo – neuronal signal recordings lack the spatial resolution and sufficient signal‐to‐noise ratio (SNR) required for a detailed understanding of neural network function and synaptic plasticity. To overcome these limitations, a highly customizable three‐dimensional (3D) printing process is used in combination with thin film technology and a self‐aligned template‐assisted electrochemical deposition process to fabricate 3D‐printed‐based MEAs on stiff or flexible substrates. Devices with design flexibility and physical robustness are shown for recording neural activity in different in vitro and in vivo applications, achieving high‐aspect ratio 3D microelectrodes of up to 33:1. Here, MEAs successfully record neural activity in 3D neuronal cultures, retinal explants, and the cortex of living mice, thereby demonstrating the versatility of the 3D MEA while maintaining high‐quality neural recordings. Customizable 3D MEAs provide unique opportunities to study neural activity under regular or various pathological conditions, both in vitro and in vivo, and contribute to the development of drug screening and neuromodulation systems that can accurately monitor the activity of large neural networks over time.
Colloidal InAs Quantum Dot‐Based Infrared Optoelectronics Enabled by Universal Dual‐Ligand Passivation
Authors: Si Min‐Jae , Jee Seungin , Yang Minjung , Kim Dongeon , Ahn Yongnam , Lee Seungjin , Kim Changjo , Bae In‐Ho , Baek Se‐Woong
Published: January 2024

Solution‐processed low‐bandgap semiconductors are crucial to next‐generation infrared (IR) detection for various applications, such as autonomous driving, virtual reality, recognitions, and quantum communications. In particular, III–V group colloidal quantum dots (CQDs) are interesting as nontoxic bandgap‐tunable materials and suitable for IR absorbers; however, the device performance is still lower than that of Pb‐based devices. Herein, a universal surface‐passivation method of InAs CQDs enabled by intermediate phase transfer (IPT), a preliminary process that exchanges native ligands with aromatic ligands on the CQD surface is presented. IPT yields highly stable CQD ink. In particular, desirable surface ligands with various reactivities can be obtained by dispersing them in green solvents. Furthermore, CQD near‐infrared (NIR) photodetectors are demonstrated using solution processes. Careful surface ligand control via IPT is revealed that enables the modulation of surface‐mediated photomultiplication, resulting in a notable gain control up to ≈10 with a fast rise/fall response time (≈12/36 ns). Considering the figure of merit (FOM), EQE versus response time (or −3 dB bandwidth), the optimal CQD photodiode yields one of the highest FOMs among all previously reported solution‐processed nontoxic semiconductors comprising organics, perovskites, and CQDs in the NIR wavelength range.
Synergistic Effect of Alkylammonium Chlorides to Trigger an Ultrafast Nucleation for Antisolvent‐Free Perovskite Solar Cells Processed from 2‐Methoxyethanol
Authors: Wu Xueyun , Zheng Yiting , Liang Jianghu , Tian Congcong , Sun Anxin , Tang Chen , Liu Yuan , Zhang Shimin , Wang Chenyang , Song Shuangxi , Chen Chun‐Chao , Reddy Kolan Madhav
Published: January 2024

2‐Methoxyethanol (2ME), as a more environmentally friendly solvent with a lower boiling point compared to dimethylformamide, is ideal for the fabrication of perovskite solar cells (PSCs). However, when 2ME is used for antisolvent‐free deposition of perovskite films, an uncontrolled nucleation process and an easy phase transition to the δ‐phase often occur. Herein, an ultrafast nucleation process is developed using methylamine chloride (MACl) and n‐butylammonium chloride (BACl) as dual additives in 2ME without further solvent addition. While MACl can rapidly induce MACl‐based nuclei to initiate the nucleation process for formamidinium lead iodide (FAPbI3), the addition of BACl to the precursor with MACl can further increase the nucleation rate and density of nuclei, and bypass the transition from δ‐ to α‐phase during crystal growth to obtain a highly crystalline and pinhole‐free perovskite film. As a result, the FAPbI3 PSCs achieve a power conversion efficiency (PCE) of 23.6%. This work provides a new inspiration for controlling the crystal quality of perovskite thin films via nucleation rate suitable for upscaling.
Extended linear‐sigma model: transport properties of QCD matter at finite temperature
Authors: Tawfik Adel Nasser , Elshehri Azzah
Published: January 2024

Since their discovery in heavy‐ion collisions, the transport properties of quantum chromodynamics (QCD) matter gained prominence among nuclear theorists. We introduce a new study based on a QCD‐like effective model. The thermal evolution of the electric and heat conductivity, and , respectively, and that if their ratios are evaluated in SU(3) extended linear‐sigma model (eLSM) with mean field approximation. Also, the bulk and shear viscosity normalized to the thermal entropy, and , respectively, as well as their ratios are estimated in the eLSM at finite temperature. Furthermore, the two ratios and are analyzed. The excellent agreement with recent lattice QCD calculations allows to draw the conclusion that the values assigned to the various eLSM‐parameters make this QCD‐like effective model capable of reproducing the non‐perturbative calculations of QCD matter, at finite temperatures.
The importance, benefits, and future of nanobiosensors for infectious diseases
Authors: Dhahi Th. S. , Dafhalla Alaa Kamal Yousif , Saad Sawsan Ali , Zayan Duria Mohammed Ibrahim , Ahmed Amira Elsir Tayfour , Elobaid Mohamed Elshaikh , Adam Tijjani , Gopinath Subash C. B.
Published: January 2024

Infectious diseases, caused by pathogenic microorganisms such as bacteria, viruses, parasites, or fungi, are crucial for efficient disease management, reducing morbidity and mortality rates and controlling disease spread. Traditional laboratory‐based diagnostic methods face challenges such as high costs, time consumption, and a lack of trained personnel in resource‐poor settings. Diagnostic biosensors have gained momentum as a potential solution, offering advantages such as low cost, high sensitivity, ease of use, and portability. Nanobiosensors are a promising tool for detecting and diagnosing infectious diseases such as coronavirus disease, human immunodeficiency virus, and hepatitis. These sensors use nanostructured carbon nanotubes, graphene, and nanoparticles to detect specific biomarkers or pathogens. They operate through mechanisms like the lateral flow test platform, where a sample containing the biomarker or pathogen is applied to a test strip. If present, the sample binds to specific recognition probes on the strip, indicating a positive result. This binding event is visualized through a colored line. This review discusses the importance, benefits, and potential of nanobiosensors in detecting infectious diseases.
Regulating Polysulfide Transformation and Stabilizing Lithium Anode Using [PMo12O40]3− Cluster@Carbon Nanotube‐Modified Separator for Lithium‐Sulfur Batteries
Authors: Zhou He , Ma Zhiyuan , Yang Guang , Jiang Xinyuan , Duan Suqing , Wu Yuchao , Wang Mengyao , Ni Lubin , Feng Ligang , Diao Guowang
Published: January 2024

Lithium‐sulfur (Li−S) batteries emerge as compelling contenders for next‐generation energy‐storage devices, boasting a noteworthy mass‐specific energy of 2600 Wh kg−1. However, the cycle stability and commercialization of Li−S batteries encounter challenges because of polysulfide shuttle and uncontrolled lithium dendrite growth. In this study, we present a polyoxometalates‐based dual‐function [PMo12O40]3− cluster@carbon nanotube modified polypropylene (PP) separator (PMo12@CNT/PP) to regulate polysulfide transformation and safeguard the lithium anode in Li−S batteries. Leveraging its multi‐electron redox properties and stable cluster structure, the PMo12 cluster acts as a polysulfide mediator, effectively capturing and promoting electrochemical polysulfide transformation. The incorporation of CNT fosters consistent Li‐ion nucleation, stabilizes the lithium anode, and impedes dendrite formation throughout cycling. Hence, Li−S cells equipped with the PMo12@CNT/PP separator display higher capacity and better stability (675 mAh g−1 at 3.0 C and 0.02 % capacity decay per cycle over 700 cycles). The pouch cells with a sulfur loading 4.5 mg cm−2 exhibit an initial discharge specific capacity of 925 mAh g−1 at 0.1 C, and remain 849 mAh g−1 after 40 cycles, underscoring the significant potential for practical applications of Li−S batteries.
Failure Mechanism and Stability Enhancement Strategies for Self‐Supported Electrodes
Authors: Liu Fang‐bing , Sheng Meng‐di , Cong Lin‐chuan , Han Fu‐yu , Yang Jin , Meng Xin‐yu , Lin Hai‐bo , Lin Nan
Published: January 2024

In the face of global climate change and the need for energy diversification, electrocatalytic technology emerges as an eco‐friendly solution. However, persistent electrode failures hinder long‐term stability. This review comprehensively outlines the primary causes leading to the failure of self‐supported electrodes, encompassing substrate passivation, substrate/catalyst dissolution, CO poisoning, catalyst migration and agglomeration, as well as cathodic etching. Proposed strategies center on material design, emphasizing anchoring, lattice matching, substrate stability, and morphological control. Advanced characterization techniques and in situ technologies offer promising ways. The integrated deployment of these strategies will provide crucial guidance and support for the sustainable advancement of electrocatalytic technology.
Synergistic Brønsted Base/Photoredox‐Catalyzed Three‐Component Coupling with Malonates to Synthesize δ‐Hydroxy Esters and δ‐Keto Esters
Authors: Li Ting , Wang Wei , Dong Ming , Zhang Zhijie , Yu Sha , Chen Zhengchu , Wei Siping , Yi Dong
Published: January 2024

Comprehensive Summary

Multicomponent alkene 1,2‐dicarbofunctionalizations (DCFs) have emerged as a powerful strategy to rapidly incorporate both two carbon subunits across one C—C double bond in one step for enhancing molecular complexity and diversity. To the best of our knowledge, there is only one report on photoredox‐catalyzed three‐component DCFs with malonates through the radical−radical cross‐coupling, while photoredox‐catalyzed radical‐polar crossover (RPC)‐type DCFs with malonates were still rare. Herein, we describe a redox‐neutral RPC‐type 1,2‐dialkylation of styrenes with malonates and aldehydes through the synergistic Brønsted base/photoredox catalysis system. This transition‐metal‐free strategy provides an efficient and clean approach to a broad variety of δ‐hydroxy esters and also features exceptionally mild conditions, wide compatibility of substrate scope and functional groups, and high atomic economy. Moreover, three‐component 1,2‐alkylacylation from the same starting materials was achieved in one‐pot manner through such RPC‐type coupling and subsequent two‐electron oxidation process, providing a set of δ‐keto esters of interest in pharmaceutical research.
In‐situ Oxidation and Coupling of Anilines towards Unsymmetric Azobenzenes Using Flow Chemistry
Authors: Griwatz Jan H. , Campi Chiara E. , Kunz Anne , Wegner Hermann A.
Published: January 2024

Molecular switches, especially azobenzenes, are used in numerous applications, such as molecular solar thermal storage (MOST) systems and photopharmacology. The Baeyer‐Mills reaction of anilines and nitrosobenzenes has been established as an efficient synthetic method for non‐symmetric azobenzenes. However, nitrosobenzenes are not stable, depending on their substitution pattern and pose a health risk. An in‐situ oxidation of anilines with Oxone® was optimized under continuous flow conditions avoiding isolation and contact. The in‐situ generated nitrosobenzene derivatives were subjected to a telescoped Baeyer‐Mills reaction in flow. That way azobenzenes with a broad substituent spectrum were made accessible.
Understanding community provider practices in diagnosing and treating atypical anorexia nervosa: A mixed methods study
Authors: Johnson‐Munguia Sarah , Bottera Angeline R. , Vanzhula Irina , Forbush Kelsie T. , Gould Sara R. , Negi Sonakshi , Thomeczek Marianna L. , L'Insalata Alexa M. , Like Emily E. , Sharma Anjali R. , Morgan R. William , Rasheed Samiya
Published: January 2024

Objective

There is a lack of consensus in defining “significant weight loss” when diagnosing atypical anorexia nervosa (atypical AN) and no guidelines exist for setting target weight (TW). The current study aimed to identify community providers’ practices related to the diagnosis of atypical AN and the determination of TW. A secondary aim was to evaluate whether professional discipline impacted “significant weight loss” definitions.

Method

A variety of providers (N = 141; 96.4% female) completed an online survey pertaining to diagnostic and treatment practices with atypical AN. Descriptive statistics were computed to characterize provider‐based practices and Fisher's exact tests were used to test for differences in diagnostic practices by professional discipline. Thematic analysis was used to examine open‐ended questions.

Results

Most (63.97%) providers diagnosed atypical AN in the absence of any weight loss if other AN criteria were met, but doctoral‐level psychologists and medical professionals were less likely to do so compared to nutritional or other mental health professionals. Most providers found weight gain was only sometimes necessary for atypical AN recovery. Qualitative responses revealed providers found atypical AN to be a stigmatizing label that was not taken seriously. Providers preferred to use an individualized approach focused on behaviors, rather than weight when diagnosing and treating atypical AN.

Discussion

Lack of diagnostic clarity and concrete treatment guidelines for atypical AN may result in substantial deviations from the DSM‐5‐TR criteria in real‐world practice. Clinically useful diagnostic definitions for restrictive eating disorders and evidence‐based treatment guidelines for TW and/or other relevant recovery metrics are needed.

Public Significance

The current study found variability in how community providers diagnose and determine target recovery weight for atypical anorexia nervosa (atypical AN). Many providers viewed the diagnosis of atypical AN as stigmatizing and preferred to focus on behaviors, rather than weight. This study underscores the importance of creating a clinically useful diagnostic definition and guidelines for recovery for atypical AN backed by empirical evidence that providers may implement in practice.
Ligand‐Protected Au52Cu72(SR)55 Nanoclusters Supported onto SBA‐15 by Electrostatic Attraction as Efficient and Stable Catalysts for Click Reaction
Authors: Li Xinghao , Fang Penghui , Li Xiaowu , Ajmal Sara , Zhou Xiaoxing , Sun Zhenjie , Song Yongbo , Zhu Manzhou , Li Peng
Published: January 2024

As heterogeneous catalysts, nanoclusters have been extensively investigated because of their exceptional catalytic performance. In this work, we propose an electrostatic attraction strategy to immobilize atomically precise positively charged [Au52Cu72(SR)55]+ (denoted as Au52Cu72(SR)55) nanoclusters supported onto negatively charged SBA‐15. As expected, the Au52Cu72(SR)55/SBA‐15 catalysts display outstanding activity for driving the benzyl azide‐phenylacetylene cycloaddition reaction (called as click reaction). In comparison to Au11/SBA‐15 and Cu13/SBA‐15 catalysts, the bimetallic Au52Cu72(SR)55/SBA‐15 catalysts exhibit the highest catalytic activity for click reaction. Moreover, to explore the effect of ligands on the catalytic performance of Au52Cu72(SR)55/SBA‐15 catalysts, Au52Cu72(SR)55/SBA‐15‐X (X is the heat treatment temperature, X=120, 250, 300) catalysts are obtained by calcining at different temperatures. Compared with Au52Cu72(SR)55/SBA‐15‐X (X=120, 250, 300), the uncalcined Au52Cu72(SR)55/SBA‐15 catalysts show the best recyclability for click reaction. The structural integrity of the Au52Cu72(SR)55 nanoclusters is a key factor contributing to their exceptional cyclic performance. This work will be valuable for designing an ideal ligand‐protected clusters‐based catalysts with superior performance for organic reactions.
Optimization of adiabatic flame temperature of natural gas combustion under different conditions
Authors: Bani‐Hani Ehab Hussein , Al‐Khatib Fadi , El Haj Assad Mamdouh , Alshabi Mohammad , Castellanos Humberto Garcia , Aryanfar Yashar , Deifalla Ahmed , Ragab Adham E.
Published: January 2024

The combustion of natural gas consisted of methane , ethane , and propane is theoretically investigated to obtain the optimum adiabatic flame temperature (AFT). The investigation includes the development of combustion equations that take into consideration different compositions of natural gas. The final equation to calculate the AFT is derived and used in the optimization study. The optimization study using genetic algorithm investigates the effect of changing the composition of the gas mixture, the inlet temperature of used air, and the amount of excess air used on the AFT. It is possible to get the required composition of each component, the air inlet temperature, and the excess air by reading the chart to get the required AFT. The heat capacity of all reactants and products is used as a function of temperature. Results showed that the optimum values for , percentages in the gas mixture, air inlet temperature, and the amount of excess air are 0.478, 0.166, 0.356 mol %, 1.848, 382.104 K, respectively. These optimum values lead to a value of about 1300 K for the AFT. The derived equation shows the AFT at different natural gas compositions along with different process parameters such as the amount of excess air. Thus, the required combustion temperature can be controlled by adjusting the natural gas composition or the combustion temperature can be specified based on the provided composition of the natural gas stream by using either the derived equations or output chart. (R1. 1).
Parents face several barriers in providing a healthy school lunch for their primary school children: A survey of Victorian (Australian) parents
Authors: Nanayakkara Janandani , Margerison Claire , Booth Alison O. , Worsley Anthony , Aydin Gozde
Published: January 2024

Issue Addressed

This paper aims to explore Victoria parents' perceptions of their current practices and barriers in providing school lunches for their primary school children.

Methods

Respondents were asked via an online survey about their lunch provision practices, perceptions of the healthiness of school lunches, and barriers to providing healthy school lunches. Data were analysed using different statistical techniques: Chi‐square test, Spearman correlation analysis, Mann–Whitney U test, and Kruskal–Wallis test.

Results

In total, 359 respondents completed the survey. Most respondents (84%) reported their child takes a home‐packed lunch to school every day. Most respondents provided fruits (94%), vegetables (57%), and sandwiches (54%) every day for school lunches, whilst other core food items such as milk, meats, and legumes were provided less frequently. A substantial proportion of respondents provided some discretionary food items frequently (e.g., the proportion of respondents providing selected discretionary food items daily or 3–4 times/week: salty crackers—50%, sweet cookies/biscuits—40%, chips—20%). Respondents strongly agreed or agreed with several barriers; examples include not packing certain foods due to food spoilage concerns (50%) (school‐related), the allocated time at their child's school is not enough to eat and enjoy school lunch (48%) (school‐related), need more meal ideas (61%) (parent‐related), healthy foods take more time to prepare (51%) (parent‐related), and children request easy‐to‐eat food for school lunches (50%) (child‐related). Core food score (an indicator of frequency of preparing/packing core food) was negatively correlated with parent‐related and child‐related barrier scores, whilst discretionary food score (an indicator of frequency of preparing/packing discretionary food) was positively correlated with these barrier scores.

Conclusions

Overall, home‐packed lunches remain the main option in primary schools in Victoria, and parents face several challenges in providing healthy lunches for their primary school children.

So What?

The findings suggest the need for strategies from school leaders, education authorities, and policymakers to improve the quality of lunch content and address the barriers faced by parents.
Neuroanatomical and functional correlates in post‐traumatic stress disorder: A narrative review
Authors: Liberati Anna S. , Perrotta Giulio
Published: January 2024

Post‐traumatic stress disorder (PTSD), currently included by the Diagnostic and Statistical of Mental Disorders, Fifth Edition, Text Revision in the macro‐category “disorders related to traumatic and stressful events”, is a severe mental distress that arises acutely as a result of direct or indirect exposure to severely stressful and traumatic events. A large body of literature is available on the psychological and behavioral manifestations of PTSD; however, with regard to the more purely neuropsychological aspects of the disorder, they are still the subject of research and need greater clarity, although the roles of the thalamus, hypothalamus, amygdala, cingulate gyrus, cerebellum, locus coeruleus, and hippocampus in the onset of the disorder's characteristic symptoms have already been elucidated.
Pharmacovigilance: what is it and how to report adverse events
Authors: Cowley Hillary
Published: January 2024

Pharmacovigilance is a regulatory activity that continues to evolve and adjust to medicines coming to market and their potential impact on those exposed, which at times includes indirect exposure. It has developed to recognise environmental impact and there is increasing focus on efficacy of medicines. It is important that even when an event, degree of resistance or partial efficacy is already acknowledged, we still remain vigilant as the incidence of the event needs to be monitored to ensure that what was originally noted is consistent with what arises subsequently, and guidance can be amended accordingly. This article provides a background to pharmacovigilance and provides practitioners with a guide to reporting adverse events in the UK.
Nitrophenols disrupt the expression and activity of biotransformation enzymes (CYP3A and COMT) in chicken ovarian follicles in vivo and in vitro
Authors: Kozubek Anna , Katarzyńska‐Banasik Dorota , Kowalik Kinga , Grzegorzewska Agnieszka K. , Hrabia Anna , Sechman Andrzej
Published: January 2024

Nitrophenols are environmental pollutants and xenobiotics, the main sources of which are diesel exhaust fumes and pesticides. The biotransformation processes that take place in the liver are defence mechanisms against xenobiotics, such as nitrophenols. Our previous study showed that the chicken ovary is an additional xenobiotic detoxification place and that nitrophenols disrupt steroidogenesis in chicken ovarian follicles. Therefore, the present study aimed to determine the in vivo and in vitro effects of 4‐nitrophenol (PNP) and 3‐methyl‐4‐nitrophenol (PNMC) on the expression and activity of phase I (CYP3A) and phase II (COMT) biotransformation enzymes in chicken ovary. In an in vivo study, hens were treated with a vehicle or 10 mg PNP or PNMC/kg b.wt. per day for 6 days. In an in vitro study, prehierarchical white and yellowish follicles, as well as the granulosa and theca layers of the three largest preovulatory follicles (F3, F2 and F1), were isolated and then incubated in a control medium or medium supplemented with PNP (10−6 M) or PNMC (10−6 M) for 24 or 48 h. Both in vivo and in vitro studies showed that nitrophenols exert tissue‐ and compound‐dependent (PNP or PNMC) effects on CYP3A and COMT gene (real‐time PCR) protein (Western blot) expression and their activity (colorimetric methods). The inhibitory effect of nitrophenols in vivo on the activity of biotransformation enzymes suggest that the ovary has the capacity to metabolise PNP and PNMC.
Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages
Authors: Shaalan Alag Ahmed , Szalay Péter G. , Tajti Attila
Published: January 2024

The electronic excitations of conformationally constrained bithiophene cage systems as previously investigated by Lewis et al. (J. Am. Chem. Soc. 143, 18548 (2021)) are revisited, employing the correlated ab initio Scaled Opposite‐Spin Algebraic Diagrammatic Construction Second Order electronic structure method. Quantitative descriptors are determined to assess the extent of charge transfer between the bithiophene moieties and the capping domains, represented by either phenyl or triazine groups. The investigation substantiates intrinsic differences in the photophysical behavior of these two structural variants and reveals the presence of lower‐energy excited states characterized by noteworthy charge transfer contributions in the triazine cage system. The manifestation of this charge transfer character is discernible even at the Franck–Condon geometry, persisting throughout the relaxation of the excited state. By examining isolated monomer building blocks, we confirm the existence of analogous charge transfer contributions in their excitations. Employing this methodological approach facilitates the prospective identification of potential wall/cap chromophore pairs, wherein charge transfer pathways can be accessed within the energetically favorable regime.
Differential temporal release and lipoprotein loading in B. thetaiotaomicron bacterial extracellular vesicles
Authors: Juodeikis Rokas , Martins Carlo , Saalbach Gerhard , Richardson Jake , Koev Todor , Baker Dave J. , Defernez Marianne , Warren Martin , Carding Simon R.
Published: January 2024

Bacterial extracellular vesicles (BEVs) contribute to stress responses, quorum sensing, biofilm formation and interspecies and interkingdom communication. However, the factors that regulate their release and heterogeneity are not well understood. We set out to investigate these factors in the common gut commensal Bacteroides thetaiotaomicron by studying BEV release throughout their growth cycle. Utilising a range of methods, we demonstrate that vesicles released at different stages of growth have significantly different composition, with early vesicles enriched in specifically released outer membrane vesicles (OMVs) containing a larger proportion of lipoproteins, while late phase BEVs primarily contain lytic vesicles with enrichment of cytoplasmic proteins. Furthermore, we demonstrate that lipoproteins containing a negatively charged signal peptide are preferentially incorporated in OMVs. We use this observation to predict all Bacteroides thetaiotaomicron OMV enriched lipoproteins and analyse their function. Overall, our findings highlight the need to understand media composition and BEV release dynamics prior to functional characterisation and define the theoretical functional capacity of Bacteroides thetaiotaomicron OMVs.
Genetic counseling for congenital disorders of glycosylation (CDG)
Authors: Weixel Tara , Wolfe Lynne , Macnamara Ellen F.
Published: January 2024

Congenital disorders of glycosylation (CDGs) are a genetically and clinically diverse group of disorders that arise as a result of defects within glycosylation synthetic pathways. CDGs are caused by pathogenic variants in many different genes in the glycosylation network. With over 160 different CDG types currently identified and a vast range of severity and presentations existing within and across those types, the road to a CDG diagnosis is often lengthy and complicated. The perils of this arduous CDG diagnostic odyssey are fraught with various genetic counseling uncertainties: (1) confusion about family planning, (2) queries about inheritance, (3) managing treatment, and (4) dealing with the uncertainty of rare diseases. Thus, the role of the genetic counselor is paramount in helping affected individuals and their families navigate these genetic counseling complexities. Case examples of common genetic counseling difficulties for CDGs are outlined, providing clinical applications of what CDG presentations, diagnostic processes, and common difficulties look like. Information on the nomenclature, incidence, prevalence, diagnostic testing, treatment, and management of CDGs are also discussed to provide a comprehensive summary of CDGs for genetic counselors, and subsequently to affected individuals and their families.
Drosophila melanogastermodels ofMPS IIIC(Hgsnat‐deficiency) highlight the role of glia in disease presentation
Authors: Hewson Laura , Choo Amanda , Webber Dani L. , Trim Paul J. , Snel Marten F. , Fedele Anthony O. , Hopwood John J. , Hemsley Kim M. , O'Keefe Louise V.
Published: January 2024

Sanfilippo syndrome (Mucopolysaccharidosis type III or MPS III) is a recessively inherited neurodegenerative lysosomal storage disorder. Mutations in genes encoding enzymes in the heparan sulphate degradation pathway lead to the accumulation of partially degraded heparan sulphate, resulting ultimately in the development of neurological deficits. Mutations in the gene encoding the membrane protein heparan‐α‐glucosaminideN‐acetyltransferase (HGSNAT; EC2.3.1.78) cause MPS IIIC (OMIM#252930), typified by impaired cognition, sleep–wake cycle changes, hyperactivity and early death, often before adulthood. The precise disease mechanism that causes symptom emergence remains unknown, posing a significant challenge in the development of effective therapeutics. AsHGSNATis conserved inDrosophila melanogaster, we now describe the creation and characterisation of the firstDrosophilamodels of MPS IIIC. Flies with either an endogenous insertion mutation or RNAi‐mediated knockdown ofhgsnatwere confirmed to have a reduced level of HGSNAT transcripts and age‐dependent accumulation of heparan sulphate leading to engorgement of the endo/lysosomal compartment. This resulted in abnormalities at the pre‐synapse, defective climbing and reduced overall activity. Altered circadian rhythms (shift in peak morning activity) were seen inhgsnatneuronal knockdown lines. Further, whenhgsnatwas knocked down in specific glial subsets (wrapping, cortical, astrocytes or subperineural glia), impaired climbing or reduced activity was noted, implying thathgsnatfunction in these specific glial subtypes contributes significantly to this behaviour and targeting treatments to these cell groups may be necessary to ameliorate or prevent symptom onset. These novel models of MPS IIIC provide critical research tools for delineating the key cellular pathways causal in the onset of neurodegeneration in this presently untreatable disorder.