bluuebunny/crossref_metadata_2025 huggingface dataset:
Screening Strategies to Reduce COVID-19 Mortality in Nursing Homes
Authors: Dong Shirley , Jutkowitz Eric , Giardina John , Bilinski Alyssa
Published: April 2024

Importance

Nursing home residents continue to bear a disproportionate share of COVID-19 morbidity and mortality, accounting for 9% of all US COVID-19 deaths in 2023, despite comprising only 0.4% of the population.

Objective

To evaluate the cost-effectiveness of screening strategies in reducing COVID-19 mortality in nursing homes.

Design and Setting

An agent-based model was developed to simulate SARS-CoV-2 transmission in the nursing home setting. Parameters were determined using SARS-CoV-2 virus data and COVID-19 data from the Centers for Medicare & Medicaid Services and US Centers for Disease Control and Prevention that were published between 2020 and 2023, as well as data on nursing homes published between 2010 and 2023. The model used in this study simulated interactions and SARS-CoV-2 transmission between residents, staff, and visitors in a nursing home setting. The population used in the simulation model was based on the size of the average US nursing home and recommended staffing levels, with 90 residents, 90 visitors (1 per resident), and 83 nursing staff members.

Exposure

Screening frequency (none, weekly, and twice weekly) was varied over 30 days against varying levels of COVID-19 community incidence, booster uptake, and antiviral use.

Main Outcomes and Measures

The main outcomes were SARS-CoV-2 infections, detected cases per 1000 tests, and incremental cost of screening per life-year gained.

Results

Nursing home interactions were modeled between 90 residents, 90 visitors, and 83 nursing staff over 30 days, completing 4000 to 8000 simulations per parameter combination. The incremental cost-effectiveness ratios of weekly and twice-weekly screening were less than $150 000 per resident life-year with moderate (50 cases per 100 000) and high (100 cases per 100 000) COVID-19 community incidence across low–booster uptake and high–booster uptake levels. When COVID-19 antiviral use reached 100%, screening incremental cost-effectiveness ratios increased to more than $150 000 per life-year when booster uptake was low and community incidence was high.

Conclusions and Relevance

The results of this cost-effectiveness analysis suggest that screening may be effective for reducing COVID-19 mortality in nursing homes when COVID-19 community incidence is high and/or booster uptake is low. Nursing home administrators can use these findings to guide planning in the context of widely varying levels of SARS-CoV-2 transmission and intervention measures across the US.
Excess Child Mortality Associated With Colombia’s Armed Conflict, 1998-2019
Authors: Moe Caitlin A. , Villaveces Andrés , Montoya Pablo , Rowhani-Rahbar Ali
Published: April 2024

Importance

Armed conflicts are directly and indirectly associated with morbidity and mortality due to destruction of health infrastructure and diversion of resources, forced displacement, environmental damage, and erosion of social and economic security. Colombia’s conflict began in the 1940s and has been uniquely long-lasting and geographically dynamic.

Objective

To estimate the proportion of infant and child mortality associated with armed conflict exposure from 1998 to 2019 in Colombia.

Design, Setting, and Participants

This ecological cohort study includes data from all 1122 municipalities in Colombia from 1998 to 2019. Statistical analysis was conducted from February 2022 to June 2023.

Exposure

Armed conflict exposure was measured dichotomously by the occurrence of conflict-related events in each municipality-year, enumerated and reported by the Colombian National Center for Historic Memory.

Main Outcomes and Measures

Deaths among children younger than 5 years and deaths among infants younger than 1 year, offset by the number of births in that municipality-year, enumerated by Colombia’s national vital statistics.

Results

The analytical sample included 24 157 municipality-years and 223 101 conflict events covering the period from 1998 to 2019. Overall, the presence of armed conflict in a municipality was associated with a 52% increased risk of death for children younger than 5 years of age (relative risk, 1.52 [95% CI, 1.34-1.72]), with similar results for 1- and 5-year lagged analyses. Armed conflict was associated with a 61% increased risk in infant (aged <1 year) death (relative risk, 1.61 [95% CI, 1.43-1.82]). On the absolute scale, this translates to a risk difference of 3.7 excess child deaths per 1000 births (95% CI, 2.7-4.7 per 1000 births) and 3.0 excess infant deaths per 1000 births (95% CI, 2.3-3.6 per 1000 births) per year, beyond what would be expected in the absence of armed conflict. Across the 22-year study period, the population attributable risk was 31.7% (95% CI, 23.5%-39.1%) for child deaths and 35.3% (95% CI, 27.8%-42.0%) for infant deaths.

Conclusions and Relevance

This ecological cohort study of Colombia’s spatiotemporally dynamic armed conflict suggests that municipal exposure to armed conflict was associated with excess child and infant deaths. With a record number of children living near active conflict zones in 2020, policy makers and health professionals should understand the magnitude of and manner in which armed conflicts directly and indirectly undermine child health.
Access to Mental Health and Substance Use Treatment in Comprehensive Primary Care Plus
Authors: Santos Tatiane , Bergman Alon , Smith-McLallen Aaron
Published: April 2024

Importance

To meet increasing demand for mental health and substance use services, the Centers for Medicare & Medicaid Services launched the 5-year Comprehensive Primary Care Plus (CPC+) demonstration in 2017, requiring primary care practices to integrate behavioral health services.

Objective

To examine the association of CPC+ with access to mental health and substance use treatment before and during the COVID-19 pandemic.

Design, Setting, and Participants

Using difference-in-differences analyses, this retrospective cohort study compared adults attributed to CPC+ and non-CPC+ practices, from January 1, 2018, to June 30, 2022. The study included adults aged 19 to 64 years who had depression, anxiety, or opioid use disorder (OUD) and were enrolled with a private health insurer in Pennsylvania. Data were analyzed from January to June 2023.

Exposure

Receipt of care at a practice participating in CPC+.

Main Outcomes and Measures

Total cost of care and the number of primary care visits for evaluation and management, community mental health center visits, psychiatric hospitalizations, substance use treatment visits (residential and nonresidential), and prescriptions filled for antidepressants, anxiolytics, buprenorphine, naltrexone, or methadone.

Results

The 188 770 individuals in the sample included 102 733 adults (mean [SD] age, 49.5 [5.6] years; 57 531 women [56.4%]) attributed to 152 CPC+ practices and 86 037 adults (mean [SD] age, 51.6 [6.6] years; 47 321 women [54.9%]) attributed to 317 non-CPC+ practices. Among patients diagnosed with OUD, compared with patients attributed to non-CPC+ practices, attribution to a CPC+ practice was associated with filling more prescriptions for buprenorphine (0.117 [95% CI, 0.037 to 0.196] prescriptions per patient per quarter) and anxiolytics (0.162 [95% CI, 0.005 to 0.319] prescriptions per patient per quarter). Among patients diagnosed with depression or anxiety, attribution to a CPC+ practice was associated with more prescriptions for buprenorphine (0.024 [95% CI, 0.006 to 0.041] prescriptions per patient per quarter).

Conclusions and Relevance

Findings of this cohort study suggest that individuals with an OUD who received care at a CPC+ practice filled more buprenorphine and anxiolytics prescriptions compared with patients who received care at a non-CPC+ practice. As the Centers for Medicare & Medicaid Innovation invests in advanced primary care demonstrations, it is critical to understand whether these models are associated with indicators of high-quality primary care.
Molecular determinants of lipid droplet subpopulations and their fates
Authors: Henne W. Mike
Published: April 2024

Distinct pools of lipid droplets (LDs) exist in individual cells and are demarcated both by their unique proteomes and lipid compositions. Focusing on yeast‐based work, we briefly review the state of understanding of LD subsets, and how specific proteins can dictate their identities and fates through lipophagy and lipolysis‐mediated turnover.
Utilizing collimated aperture with proton pencil beam scanning (PBS) for stereotactic radiotherapy
Authors: Chou Chen‐Yu , Tsai Tsung‐Shiau , Huang Hsiao‐Chieh , Wang Chun‐Chieh , Lee Shen‐Hao , Hsu Shih‐Ming
Published: April 2024

Purpose

Proton stereotactic radiosurgery (PSRS) has emerged as an innovative proton therapy modality aimed at achieving precise dose delivery with minimal impact on healthy tissues. This study explores the dosimetric outcomes of PSRS in comparison to traditional intensity‐modulated proton therapy (IMPT) by focusing on cases with small target volumes. A custom‐made aperture system designed for proton therapy, specifically tailored to small target volumes, was developed and implemented for this investigation.

Methods

A prerequisite mechanical validation through an isocentricity test precedes dosimetric assessments, ensuring the seamless integration of mechanical and dosimetry analyses. Five patients were enrolled in the study, including two with choroid melanoma and three with arteriovenous malformations (AVM). Two treatment plans were meticulously executed for each patient, one utilizing a collimated aperture and the other without. Both plans were subjected to robust optimization, maintaining identical beam arrangements and consistent optimization parameters to account for setup errors of 2 mm and range uncertainties of 3.5%. Plan evaluation metrics encompassing the Heterogeneity Index (HI), Paddick Conformity Index (CIPaddick), Gradient Index (GI), and the R50% index to evaluate alterations in low‐dose volume distribution.

Results

The comparative analysis between PSRS and traditional PBS treatment revealed no significant differences in plan outcomes, with both modalities demonstrating comparable target coverage. However, collimated apertures resulted in discernible improvements in dose conformity, dose fall‐off, and reduced low‐dose volume.

Conclusions

This study underscores the advantageous impact of the aperture system on proton therapy, particularly in cases involving small target volumes.
Influence of Severe Plastic Deformation on the Magnetic Properties of Sm–Co Permanent Magnets
Authors: Paulischin Alexander , Weissitsch Lukas , Wurster Stefan , Fellner Simon , Krenn Heinz , Bachmaier Andrea
Published: April 2024

High pressure torsion (HPT) is presented as a new fabrication route to produce bulk Sm–Co magnets with a strongly refined microstructure down to the nanometer regime. The initial powders, based on the compositions SmCo5, Sm2Co7 and Sm2Co17, are compacted and subsequently deformed by HPT. The microstructural evolution in dependence on the applied deformation parameters is characterized by electron microscopy and the effect of HPT on the phase stability is monitored by synchrotron X‐ray diffraction. An increasing amount of applied strain leads to a stronger reduction in grain size while strain localization counteracts a homogeneous microstructural refinement. The positive effect of elevated deformation temperatures is demonstrated for Sm2Co17, which promotes homogeneous grain refinement, but causes strain‐induced phase transformations at the same time, strongly affecting the magnetic behavior. Superconducting quantum interference device magnetometry is used to characterize the magnetic properties after HPT deformation, which indicates the formation of a magnetic texture depending on the respective phase.
Enhancing the Conductivity and Thermoelectric Performance of Semicrystalline Conducting Polymers through Controlled Tie Chain Incorporation
Authors: Zhu Wenjin , Qiu Xinkai , Laulainen Joonatan E. M. , Un Hio‐leng , Ren Xinglong , Xiao Mingfei , Freychet Guillaume , Vacek Petr , Tjhe Dion , He Qiao , Wood William , Wang Zichen , Zhang Youcheng , Qu Zhengkang , Asatryan Jesika , Martin Jaime , Heeney Martin , McNeill Christopher R. , Midgley Paul A. , Jacobs Ian E. , Sirringhaus Henning
Published: April 2024

Conjugated polymers are promising materials for thermoelectric applications, however, at present few effective and well‐understood strategies exist to further advance their thermoelectric performance. Here a new model system is reported for a better understanding of the key factors governing their thermoelectric properties: aligned, ribbon‐phase poly[2,5‐bis(3‐dodecylthiophen‐2‐yl)thieno[3,2‐b]thiophene] (PBTTT) doped by ion‐exchange doping. Using a range of microstructural and spectroscopic methods, the effect of controlled incorporation of tie‐chains between the crystalline domains is studied through blending of high and low molecular weight chains. The tie chains provide efficient transport pathways between crystalline domains and lead to significantly enhanced electrical conductivity of 4810 S cm−1, which is not accompanied by a reduction in Seebeck coefficient or a large increase in thermal conductivity. Respectable power factors of 173 µW m−1 K−2 are demonstrated in this model system. The approach is generally applicable to a wide range of semicrystalline conjugated polymers and could provide an effective pathway for further enhancing their thermoelectric properties and overcome traditional trade‐offs in optimization of thermoelectric performance.
Triboelectric Basalt Textiles Efficiently Operating within an Ultrawide Temperature Range
Authors: Li Yingwen , Guo Yinben , Fu Fan , Yang Zhicheng , Ling Yong , Liu Jin , Gong Wei
Published: April 2024

With the continuous upsurge in demand for wearable energy, nanogenerators are increasingly required to operate under extreme environmental conditions. Even though they are at the cutting edge of technology, nanogenerators have difficulty producing high‐quality electrical output at very extreme temperatures. Here, a triboelectric basalt textile (TBT) with an ultrawide operational temperature range (from −196 to 520 °C) is created employing basalt material as the main body. The output power density of the TBT, in contrast to most conventional nanogenerators, would counterintuitively rise by 2.3 times to 740.6 mW m−2 after heating to 100 °C because the high temperature will enhance the material's interface polarization and electronic kinetic energy. The TBT retains ≈55% of its initial electrical output even after heating in the flame of an alcohol lamp (520 °C). Surprisingly, the TBTs output voltage may retain over 85% of its initial value even after submerging in liquid nitrogen. The TBTs exceptional resistance to heat and cold indicates its possible use in high and low latitudes, high altitudes, deserts, and even space settings.
Engineering Styrene Oxide Isomerase Towards Enhanced Chemoenzymatic Synthesis of (S)‐Flurbiprofen
Authors: See Willy W. L. , Choo Joel P. S. , Du Lei , Li Zhi
Published: April 2024

The conventional synthesis of (S)‐flurbiprofen, a valuable non‐steroidal anti‐inflammatory drug (NSAID), involves inefficient chiral resolution with low‐yielding multiple reaction steps, or asymmetric synthesis with low enantioselectivity and/or regioselectivity. Here, we developed high‐yielding, enantioselective, and sustainable synthesis of (S)‐flurbiprofen via two chemoenzymatic approaches from a simple alkene: (A) enzymatic epoxidation‐isomerization‐oxidation cascade and Pd‐catalyzed arylation; and (B) chemical epoxidation, enzymatic isomerization‐oxidation cascade, and Pd‐catalyzed arylation. Styrene oxide isomerase (SOI)‐catalyzed enantio‐retentive Meinwald rearrangement was the key step in the two pathways, but SOI suffers from low activity. SOI was engineered via two rounds of iterative saturation mutagenesis and screening with a three‐enzyme cascade assay, generating a double‐mutant SOIDM (N99A/D95A) with 5.5‐fold improvement in catalytic efficiency (kcat/KM). In Pathway A, cascade biotransformation of 3‐fluoro‐4‐bromo‐α‐methylstyrene with engineered E. coli strain expressing SOIDM, styrene monooxygenase (SMO) and aldehyde dehydrogenase (ALDH), and subsequent Pd‐catalyzed arylation afforded (S)‐flurbiprofen in 98% yield and 91% ee. In Pathway B, chemical epoxidation (Sharpless dihydroxylation and ring‐closing), cascade conversion using an engineered E. coli strain expressing SOIDM, ALDH and NADH oxidase (NOX), and Pd‐catalyzed arylation produced (S)‐flurbiprofen in 83% yield and 98% ee. Compared to conventional synthesis, the developed methods reduced reaction steps, minimized waste generation and improved enantioselectivity or overall yield.
Microalgae Film‐Derived Water Evaporation‐Induced Electricity Generator with Negative Carbon Emission
Authors: Xu Shuo , Zhao Yuxuan , Jiao Shipu , Wang Zhiyun , Yu Zhen , Sun Chen , Liu Xianhua
Published: April 2024

Water evaporation–induced electricity generators (WEGs) are regarded as one of the most promising solutions for addressing the increasingly severe environmental pollution and energy crisis. Owing to the potential carbon emission in the preparation process of WEGs, whether WEG represents a clean electricity generation technology is open to question. Here, a brand‐new strategy is proposed for manufacturing negative carbon emission WEG (CWEG). In this strategy, the microalgae film is used as the electricity generation interface of WEG, which achieves a stable open‐circuit voltage (Voc) of 0.25 V and a short‐circuit current (Isc) of 3.3 µA. Since microalgae can capture carbon dioxide during its growing process, CWEG holds great promise to generate electricity without carbon emissions in the full life cycle compared with other WEGs. To the best of the author's knowledge, this is the first work using microalgae films to fabricate WEG. Therefore, it is believed that this work not only provides a new direction for designing high‐efficiency and eco‐friendly WEG but also offers an innovative approach to the resource utilization of microalgae.
Mechanical Activation of Graphite for Na‐Ion Battery Anodes: Unexpected Reversible Reaction on Solid Electrolyte Interphase via X‐Ray Analysis
Authors: Lee Su Chan , Kim Young Hwan , Park Jae‐Ho , Susanto Dieky , Kim Ji‐Young , Han Jonghyun , Jun Seong Chan , Chung Kyung Yoon
Published: April 2024

Although sodium‐ion batteries (SIBs) offer promising low‐cost alternatives to lithium‐ion batteries (LIBs), several challenges need to be overcome for their widespread adoption. A primary concern is the optimization of carbon anodes. Graphite, vital to the commercial viability of LIBs, has a limited capacity for sodium ions. Numerous alternatives to graphite are explored, particularly focusing on disordered carbons, including hard carbon. However, compared with graphite, most of these materials underperform in LIBs. Furthermore, the reaction mechanism between carbon and sodium ions remains ambiguous owing to the structural diversity of disordered carbon. A straightforward mechanical approach is introduced to enhance the sodium ion storage capacity of graphite, supported by comprehensive analytical techniques. Mechanically activated graphite delivers a notable reversible capacity of 290.5 mAh·g−1 at a current density of 10 mA·g−1. Moreover, it maintains a capacity of 157.7 mAh·g−1 even at a current density of 1 A·g−1, benefiting from the defect‐rich structure achieved by mechanical activation. Soft X‐ray analysis revealed that this defect‐rich carbon employs a sodium‐ion storage mechanism distinct from that of hard carbon. This leads to an unexpected reversible reaction on the solid electrolyte surface. These insights pave the way for innovative design approaches for carbon electrodes in SIB anodes.
Induced Anionic Functional Group Orientation‐Assisted Stable Electrode‐Electrolyte Interphases for Highly Reversible Zinc Anodes
Authors: Wang Jingyi , Yu Yi , Chen Ruwei , Yang Hang , Zhang Wei , Miao Yuee , Liu Tianxi , Huang Jiajia , He Guanjie
Published: April 2024

Dendrite growth and other side‐reaction problems of zinc anodes in aqueous zinc‐ion batteries heavily affect their cycling lifespan and Coulombic efficiency, which can be effectively alleviated by the application of polymer‐based functional protection layer on the anode. However, the utilization rate of functional groups is difficult to improve without destroying the polymer chain. Here, a simple and well‐established strategy is proposed by controlling the orientation of functional groups (─SO3H) to assist the optimization of zinc anodes. Depending on the electrostatic effect, the surface‐enriched ─SO3H groups increase the ionic conductivity and homogenize the Zn2+ flux while inhibiting anionic permeation. This approach avoids the destruction of the polymer backbone by over‐sulfonation and amplifies the effect of functional groups. Therefore, the modified sulfonated polyether ether ketone (H‐SPEEK) coating‐optimized zinc anode is capable of longtime stable zinc plating/stripping, and moreover an enhanced cycling steadiness under high current densities is also detected in a series of Zn batteries with different cathode materials, which achieved by the inclusion of H‐SPEEK coating without causing any harmful effects on the electrolyte and cathode. This work provides an easy and efficient approach to further optimize the plating/stripping of cations on metal electrodes, and sheds lights on the scale‐up of high‐performance aqueous zinc‐ion battery technology.
Scalable Synthesis Methods for High‐Entropy Nanoparticles
Authors: Ritter Timothy G. , Pappu Samhita , Shahbazian‐Yassar Reza
Published: April 2024

High‐entropy materials (HEMs) represent a revolutionary class of materials that have garnered significant attention in the field of materials science due to their extraordinary properties in diverse fields of applications such as catalysis and electrochemistry. The past decade has witnessed a substantial increase in the study of these materials, exploring new synthesis routes and compositions. What began as the synthesis of high‐entropy alloys has expanded to encompass several classes of HEMs such as oxides, hydroxides, sulfides, nitrides, and carbides, among others. Several synthesis methods have been developed to produce these materials. This review therefore highlights the fundamental concepts of HEMs, including their core effects, with a major emphasis on their scalable synthesis routes. The advantages and drawbacks of these methods are also discussed. As HEMs transition from the lab to large‐scale production, there is a growing need for cost‐effective and scalable synthesis methods with high material yield suitable for a variety of applications like hydrogen storage, catalysis, batteries, supercapacitors, and fuel cells. Hence, this review serves as an introduction to scalable synthesis routes based on crystal structure, desired elements, synthesis times, and equipment costs.
Carbene‐Catalyzed and Pnictogen Bond‐Assisted Access to PIII‐Stereogenic Compounds
Authors: Liu Jianjian , Deng Rui , Liang Xuyang , Zhou Mali , Zheng Pengcheng , Chi Yonggui Robin
Published: April 2024

Intermolecular pnictogen bonding (PnB) catalysis has received increased interest in non‐covalent organocatalysis. It has been demonstrated that organic electron‐deficient pnictogen atoms can act as prospective Lewis acids. Here, we present a catalytic approach for the asymmetric synthesis of chiral PIII compounds by combining intramolecular PnB interactions and carbene catalysis. Our design features a pre‐chiral phosphorus molecule bearing two electron‐withdrawing benzoyl groups, resulting in the formation of a σ‐hole at the P atom. X‐ray and non‐covalent interaction (NCI) analysis indicate that the model substrates exhibit intrinsic PnB interaction between the oxygen atom of the formyl group and the phosphorus atom. This induces a conformational locking effect, leading to the crystallization of the phosphorus substrate in a preferred conformation (P212121 chiral group). Under the catalysis of N–heterocyclic carbene, the aldehyde moiety activated by the pnictogen bond selectively reacts with an alcohol to yield the corresponding chiral monoester/phosphorus product with excellent enantioselectivity. This Lewis acidic phosphorus center, aroused by the non‐polarized intramolecular pnictogen bond interaction, assists in conformational and selective regulations, providing unique opportunities for catalysis and beyond.
Chiral Ligand‐Concentration Mediating Asymmetric Transformations of Silver Nanoclusters: NIR‐II Circularly Polarized Phosphorescence Lighting
Authors: Zhang Chengkai , Si Wei‐Dan , Wang Zhi , Tung Chen‐Ho , Sun Di
Published: April 2024

Near infrared (NIR) emitter with circularly polarized phosphorescence (CPP), known as NIR CPP, has emerged as a key part in the research of cutting‐edge luminescent materials. However, it remains a challenge to obtain nanoclusters with NIR CPP activity. Here, we propose an asymmetric transformation approach to efficiently synthesize two pairs of chiral silver nanoclusters (R/S‐Ag29 and R/S‐Ag16) using an achiral Ag10 nanocluster as starting material in the presence of different concentration chiral inducer (R/S)‐1,1′‐binaphthyl‐2,2′‐diyl hydrogenphosphate (R/S‐BNP). R/S‐Ag29, formed in the low‐concentration R/S‐BNP, exhibits a unique kernel‐shell structure consisting of a distorted Ag13 icosahedron and an integrated cage‐like organometallic shell with a C3 symmetry, and possesses a superatomic 6‐electron configuration (1S2|1P4). By contrast, R/S‐Ag16, formed in the high‐concentration R/S‐BNP, features a sandwich‐like pentagram with AgI‐pure kernel. Profiting from the hierarchically chiral structures and superatomic kernel‐dominated phosphorescence, R/S‐Ag29 exhibits infrequent CPP activity in the second near‐infrared (975 nm) region, being the first instance of NIR‐II CPP observed among CPL‐active metal nanoclusters. This study presents a new approach to reduce the difficulty of de novo synthesis for chiral silver nanomaterials, and facilitates the design of CPP‐active superatomic nanoclusters in NIR region.
Triaryl Carbenium Ion Pair Mediated Electrocatalytic Benzylic C−H Oxygenation in Air
Authors: Zhang Zhenguo , Lv Yongheng , Ji Liang , Chen Peng , Han Shuyan , Zhu Yufei , Li Lanyang , Jia Zhenhua , Loh Teck‐Peng
Published: April 2024

The selective oxidation of benzylic C−H bonds is a pivotal transformation in organic synthesis. Undoubtedly, achieving efficient and highly selective aerobic oxidation of methylarenes to benzaldehydes has been highly challenging due to the propensity of benzaldehyde to undergo overoxidation under typical aerobic conditions. Herein, we propose an innovative approach to address this issue by leveraging electrocatalytic processes, facilitated by ion‐pair mediators [Ph3C]+[B(C6F5)4]−. By harnessing the power of electrochemistry, we successfully demonstrated the effectiveness of our strategy, which enables the selective oxidation of benzylic C−H bonds in benzylic molecules and toluene derivatives. Notably, our approach exhibited high efficiency, excellent selectivity, and compatibility with various functional groups, underscoring the broad applicability of our methodology.
Enhanced Electrochemical CO2 Reduction to Formate over Phosphate‐Modified In: Water Activation and Active Site Tuning
Authors: Wei Zhiming , Ding Jie , Wang Ziyi , Wang Anyang , Zhang Li , Liu Yuhang , Guo Yuzheng , Yang Xuan , Zhai Yueming , Liu Bin
Published: April 2024

Electrochemical CO2 reduction reaction (CO2RR) offers a sustainable strategy for producing fuels and chemicals. However, it suffers from sluggish CO2 activation and slow water dissociation. In this work, we construct a (P−O)δ− modified In catalyst that exhibits high activity and selectivity in electrochemical CO2 reduction to formate. A combination of in situ characterizations and kinetic analyses indicate that (P−O)δ− has a strong interaction with K+(H2O)n, which effectively accelerates water dissociation to provide protons. In situ attenuated total reflectance surface‐enhanced infrared absorption spectroscopy (ATR‐SEIRAS) measurements together with density functional theory (DFT) calculations disclose that (P−O)δ− modification leads to a higher valence state of In active site, thus promoting CO2 activation and HCOO* formation, while inhibiting competitive hydrogen evolution reaction (HER). As a result, the (P−O)δ− modified oxide‐derived In catalyst exhibits excellent formate selectivity across a broad potential window with a formate Faradaic efficiency as high as 92.1 % at a partial current density of ~200 mA cm−2 and a cathodic potential of −1.2 V vs. RHE in an alkaline electrolyte.
Molecular Wiring of Electrocatalytic Nitrate reduction to Ammonia and Water Oxidation by Iron‐Coordinated Macroporous Conductive Networks
Authors: Li Mengjie , Wen Yingke , Fang Yanjie , Shan Bing
Published: April 2024

Developing stable electrocatalysts with accessible isolated sites is desirable but highly challenging due to metal agglomeration and low surface stability of host materials. Here we report a general approach for synthesis of single‐site Fe electrocatalysts by integrating a solvated Fe complex in conductive macroporous organic networks through redox‐active coordination linkages. Electrochemical activation of the electrode exposes high‐density coordinately unsaturated Fe sites for efficient adsorption and conversion of reaction substrates such as NO3− and H2O. Using the electrode with isolated active Fe sites, electrocatalytic NO3− reduction and H2O oxidation can be coupled in a single cell to produce NH3 and O2 at Faradaic efficiencies of 97 % and 100 %, respectively. The electrode exhibits excellent robustness in electrocatalysis for 200 hours with small decrease in catalytic efficiencies. Both the maximized Fe‐site efficiency and the microscopic localization effect of the conductive organic matrix contribute to the high catalytic performances, which provides new understandings in tuning the efficiencies of metal catalysts for high‐performance electrocatalytic cells.
The distribution of the juvenile stages and eggcases of skates (Rajidae) around the British Isles
Authors: Ellis Jim R. , Gordon Cat A. , Allen Harriet L. , Silva Joana F. , Bird Christopher , Johnston Graham , O'Connor Bríd , McCully Phillips Sophy R. , Hood Ali
Published: April 2024

Skates (Rajidae) include species of conservation and commercial importance, but there is limited information regarding their ecologically important habitats, including spawning and nursery areas, in northern European seas.

Data on the distribution, relative abundance and length composition of skates were collated from scientific trawl surveys, and based on length‐frequency information, length‐at‐hatching and length‐at‐maturity, skates were allocated to length‐based categories representing early‐juvenile stages (EJS) and mid‐juvenile stages (MJS).

Citizen science data were used to inform on the occurrence of eggcases. The Great Eggcase Hunt (starting in 2003) citizen science recording project collects georeferenced data for elasmobranch eggcases, primarily from around the British Isles. This provided verified species‐specific data for a total of 227,407 specimens from 11 skate species. Purse Search Ireland (starting in 2005) provided a further 2491 records of 10 skate species from around Ireland.

The most frequently observed skate eggcases were from the genus Raja and occurred around much of the British Isles. The EJS and MJS of such species were observed most frequently in inshore waters. Data for EJS were more limited for Raja microocellata and Raja undulata, indicating that the EJS of these species occur in shallower (<20 m) waters.

Juveniles of the genus Leucoraja occurred further offshore. Only the eggcases of Leucoraja naevus were recorded regularly, with the eggcase of Leucoraja fullonica described here.

The data collated here provide an overview of skate spawning and nursery areas, thus informing fisheries management and marine spatial planning, including the identification and delineation of Important Shark and Ray Areas (ISRAs).
Adaptive neural network finite‐time control for fractional‐order nonlinear systems with external disturbance
Authors: Shang Zhendong , Lin Siyu , Xu Jinglan , Zhang Weiwei , You Xingxing , Dian Songyi
Published: April 2024

This paper is concerned with the finite‐time tracking control problem of fractional‐order nonlinear systems (FONSs) with uncertainty and external disturbance. A novel design scheme of the adaptive neural network finite‐time controller (ANNFTC) is developed by utilizing the theory of finite‐time stability and fractional‐order dynamic surface control (DSC) scheme combined with backstepping method. Radial basis function neural networks (RBF NNs) are employed to estimate the unknown nonlinear function. Furthermore, an auxiliary function is introduced to approximate the unknown upper bounds of the approximation error in RBF NNs and external disturbance. The ANNFTC ensures the finite‐time boundedness of all signals in FONSs and enhances the system output's tracking performance. The effectiveness of the proposed approach is demonstrated through a simulation example, providing empirical evidence to support the theoretical framework presented in this paper.
Algae to HEFA: Economics and potential deployment in the United States
Authors: Atnoorkar Swaroop , Wiatrowski Matthew , Newes Emily , Davis Ryan , Peterson Steve
Published: April 2024

To reach the goals set by the US Department of Energy's Sustainable Aviation Fuel (SAF) Grand Challenge, currently available feedstocks may be insufficient. Giving priority to developing, prototyping and reducing the cost of algal feedstock before investing and lining up locations is important. As the production of algal feedstocks advances, a simplified conversion approach using more mature technologies can help reduce the investment risk for algae‐based fuels. Reducing process complexity to the steps described here [namely, conversion of lipids to HEFA (hydroprocessed esters and fatty acids) fuels and relegating the remainder of the biomass to anaerobic digestion or food/feed production] enables the near‐term production of algal SAF but presents challenging economics depending on achievable cultivation costs and compositional quality. However, these economics can be improved by present‐day policy incentives. With these incentives, the modeled algae‐to‐HEFA pathway could reach a minimum fuel selling price as low as $4.7 per gasoline gallon equivalent depending on the carbon intensity reduction that can be achieved compared with petroleum. Uncertainty about algal feedstock production maturity in the current state of technology and the future will play a large role in determining the economic feasibility of building algae‐to‐HEFA facilities. For example, if immaturity increases the feedstock price by even 10%, SAF production in 2050 is about 58% of the production which could have been achieved with mature feedstock. Additionally, growth in this conversion pathway can be notably boosted through the inclusion of subsidies, and also through higher‐value coproducts or higher lipid yields beyond the scope of the process considered here.
Identification of key mRNAs and signaling pathways in obsessive compulsive disorder based on weighted gene co‐expression network analysis and cytoHubba plugin
Authors: Zhang Xiaoming , Liu Yanru , Guo Bin , Li Binbin , Liu Huaqing , Wang Zhiren
Published: April 2024

Purpose

Obsessive‐compulsive disorder (OCD) is a complex psychiatric disorder. Genetic and broad environmental factors are common risk factors for OCD. The purpose of this study is to explore the molecular mechanism of OCD and to find new molecular targets for the diagnosis and management of OCD.

Methods

All data were downloaded from public dataset. Key modules and candidate key mRNAs were identified based on weighted gene co‐expression network analysis (WGCNA). The “limma” R package was used for differential expression analysis of mRNAs. Subsequently, functional enrichment analysis of differentially expressed mRNAs (DEmRNAs) was also carried out. In addition, a diagnostic model was constructed. Finally, the infiltration level of immune cells in OCD and its correlation with multicentric key DEmRNAs were analyzed.

Results

Green and red modules were selected as the hub modules. A total of 447 mRNAs were considered candidate key mRNAs according to GS > 0.2 and MM > 0.3. A total of 26 DEmRNAs in the same direction were identified in the GSE60190 and GSE78104 datasets. A total of 26 DEmRNAs were intersected with candidate key mRNAs in WGCNA to obtain 10 intersection DEmRNAs (HSPB1, ITPK1, CBX7, PPP1R10, TAOK1, PISD, MKNK2, RWDD1, PPA1, and RELN). However, only four DEmRNAs (HSPB1, TAOK1, MKNK2, and PPA1) predicted related drugs. Subsequently, receiver operating characteristic analysis shows that the diagnostic model has high diagnostic value. Moreover, six multicentric key DEmRNAs (SNRPF, SNRNP70, PRPF8, NOP56, EPRS, and CCT2) were screened by UpSet package. Finally, six multicentric key DEmRNAs were found to be associated with immune cells.

Conclusion

The key molecules obtained in this study lay a foundation for further research on the molecular mechanism of OCD.
The impact of sestrin2 on reactive oxygen species in diabetic retinopathy
Authors: Yang Xueli , Wu Xiaoli
Published: April 2024

Diabetic retinopathy (DR) is a significant complication of diabetes that often leads to blindness, impacting Müller cells, the primary retinal macroglia involved in DR pathogenesis. Reactive oxygen species (ROS) play a crucial role in the development of DR. The objective of this study was to investigate the involvement of sestrin2 in DR using a high‐glucose (HG)‐induced Müller cell model and assessing cell proliferation with 5‐ethynyl‐2‐deoxyuridine (EdU) labeling. Following this, sestrin2 was upregulated in Müller cells to investigate its effects on ROS, tube formation, and inflammation both in vitro and in vivo, as well as its interaction with the nuclear factor erythroid2‐related factor 2 (Nrf2) signaling pathway. The findings demonstrated a gradual increase in the number of EdU‐positive cells over time, with a subsequent decrease after 72 h of exposure to high glucose levels. Additionally, the expression of sestrin2 exhibited a progressive increase over time, followed by a decrease at 72 h. The rh‐sestrin2 treatment suppressed the injury of Müller cells, decreased ROS level, and inhibited the tube formation. Rh‐sestrin2 treatment enhanced the expression of sestrin2, Nrf2, heme oxygenase‐1 (HO‐1), and glutamine synthetase (GS); however, the ML385 treatment reversed the protective effect of rh‐sestrin2. Finally, we evaluated the effect of sestrin2 in a DR rat model. Sestrin2 overexpression treatment improved the pathological injury of retina and attenuated the oxidative damage and inflammatory reaction. Our results highlighted the inhibitory effect of sestrin2 in the damage of retina, thus presenting a novel therapeutic sight for DR.
Pd‐Pt Bimetallic Catalysts for Enhanced Low‐Temperature Hydrodeoxygenation of Vanillin
Authors: Govoni Simone , Ventimiglia Alessia , Ferraz Camila P. , Itabaiana Ivaldo , Dufour Anthony , Pasc Andreea , Wojcieszak Robert , Dimitratos Nikolaos
Published: April 2024

To make pyrolytic bio‐oil useful as a transportation fuel, the oxygen content must be reduced, and this can be carried out by using catalytic hydrodeoxygenation (HDO) reaction. The greatest challenge is associated with the removal of strongly bound oxygenated groups without saturating the aromatic ring while preserving the number of carbons. However, the development of a stable catalyst that can selectively remove such oxygenated groups with low hydrogen consumption is still challenging. In this context, a systematic study on HDO of vanillin on bimetallic Pd−Pt catalysts was carried out. It aims to study the effect of bimetallic synergy in terms of activity and selectivity to creosol. Metallic nanoparticles of Pd and Pt were synthesized by sol immobilization technique and deposited on TiO2. The conversion of vanillin was correlated to the Pd−Pt atomic ratio, while the production of the creosol was correlated to the Pd(0)/(Pd+Pt) ratio at the surface. Full conversion of vanillin was obtained at low reaction temperature (20 °C) achieving nearly 100 % selectivity to creosol. These results represent a step forward in advancing the development of more efficient and sustainable processes for bio‐oil upgrading.
Alles unter Kontrolle
Authors: Hupach Sascha
Published: April 2024

Wasser wird in der chemischen Industrie in verschiedenen Prozessen eingesetzt. Zur Kontrolle hat sich der Summenparameter TOC durchgesetzt. Online‐ oder Prozessanalytik erlauben eine möglichst engmaschige Kontrolle der Wasserströme in unterschiedlichen Einsatzgebieten in der chemischen Industrie.
Die richtige Mischung für klare Verhältnisse
Authors: Tigges Bastian
Published: April 2024

Um den Betrieb von Kläranlagen zukunftsfähig und effizient zu gestalten, wird der entstehende Klärschlamm thermisch verwertet. Für die erforderlichen Prozessbedingungen in einer der größten Kläranlagen Europas in Bottrrop sorgen Pflugscharmischer, die den Klärschlamm konditionieren und stets gleichbleibende Qualität sicherstellen, damit die Trocknung möglichst energieeffizient betrieben werden kann.
Removal performance of leonardite toward volatile organic compounds and toxic metals from landfill leachates
Authors: Kocaman Ayhan , Turan Metin , Vakili Amir Hossein , Savas Burak Feyyaz , Aydemir Özlem Ete , Çakici Avni
Published: April 2024

Leachate from municipal waste contains volatile organic compounds and potentially toxic metals. The leaching of which into water sources also jeopardizes access to clean water. Therefore, reducing the concentration of pollutants in leachate is important to reduce health risks and environmental pollution. In this study, the efficacy of granulated organic leonardite added to leachate from municipal waste in reducing the toxic concentrations of the leachate for different time points (30, 60, 90, and 120 min) at a shaking speed of 200 rpm was investigated. Results demonstrated that leonardite significantly removed various contaminants, including organic acids (71.16%), alcohols (74.31%), aldehydes (68.01%), esters (78.28%), ethers (81.03%), ketones (68.52%), hydrocarbons (84.25%), N compounds (78.56%), S compounds (80.67%), organic N (86.01%), total Kjeldahl nitrogen (93.26%), NH4‐N (84.83%), NO3‐N (89.30%), SO4 (76.62%), PO4 (73.85%), organic C (50.07%), Hg (96.80%), Pb (95.99%), Cu (82.68%), Al (65.56%), total Cr (98.11%), Cd (99.28%), Li (96.31%), Ni (97.27%), and As (67.79%). The leonardite granules used in this study showed high adsorption and removal performance for organic/inorganic and volatile compounds in landfill leachate. These results indicate that leonardite can be a suitable adsorption material for leachate pretreatment. However, it is necessary to perform a durability test to use the material in the long term as a covering on landfills.
A spiral modeling based on manta ray foraging optimization for wireless networks resource allocation
Authors: Luo Qifang , Wang Meiyan , Zhou Yongquan
Published: April 2024

The wireless network resource allocation is a NP‐hard combinatorial optimization problem. This paper proposes a new optimization method using the manta ray foraging optimization (MRFO) based on spiral modeling to solve the wireless network resource problem. In order to reduce the computational complexity and ensure the optimal performance of the allocation scheme, a MRFO algorithm based on spiral modeling and mutation strategy is proposed. In the first stage, spiral modeling is introduced to narrow the exploration area, while the mutation strategy of the genetic algorithm enhances the ability of the algorithm to jump out of the local optimal. In the second stage, a binary MRFO algorithm for using different transfer functions is proposed to solve the mixed integer programming problem. The experimental results show that IMRFO and BIMRFO have high comprehensive performance advantages, achieve better effects than the other optimization algorithms, which lead to faster convergence, faster accuracy, and lower complexity.
Efficacy and Safety of Fibroblast Growth Factor‐21 Analogs for the Treatment of Metabolic Dysfunction‐Associated Steatohepatitis: A Systematic Review and Meta‐Analysis
Authors: Jeong Changhyeon , Han Nayoung , Jeon Nakyung , Rhee Su‐jin , Staatz Christine E. , Kim Min‐Soo , Baek In‐hwan
Published: April 2024

Fibroblast growth factor (FGF)‐21 analogs are potential therapeutic candidates for metabolic dysfunction‐associated steatohepatitis (MASH). This systematic review and meta‐analysis aimed to assess the efficacy and safety of the FGF‐21 analogs, efruxifermin, pegbelfermin, and pegozafermin for MASH treatment. A comprehensive systematic review and meta‐analysis of randomized controlled trials from five major databases was conducted. Primary efficacy outcomes focused on liver histological improvement, while secondary efficacy outcomes encompassed reductions in liver fat content and improvements in biochemical parameters. Safety outcomes examined included treatment‐emergent adverse events (TEAEs), treatment‐related TEAEs, TEAEs leading to discontinuation, and serious TEAEs. Eight eligible studies involving 963 patients were included in this review. Compared with the placebo group, the FGF‐21 analog‐treated group exhibited significantly improved primary efficacy outcomes, specifically ≥1 stage improvement in fibrosis with no worsening of MASH (risk ratio [RR] = 1.83; 95% confidence interval [CI] = 1.27–2.62) and at least two‐point improvement in the non‐alcoholic fatty liver disease activity score with no worsening of fibrosis (RR = 2.85; 95% CI = 2.06–3.95). Despite an increased risk of TEAEs (RR = 1.17; 95% CI = 1.08–1.27) and treatment‐related adverse events (RR = 1.75; 95% CI = 1.40–2.19), FGF‐21 analogs exhibited an acceptable safety profile. FGF‐21 analogs were significantly better in achieving liver histological improvements and beneficial biochemical outcomes compared with placebo, with a tolerable safety pattern. These findings shed light on the efficacy and safety of FGF‐21 analogs and provide valuable evidence for their application as MASH therapeutics.
Quantification of GTPase Cycling Rates of GTPases and GTPase:Effector Mixtures Using GTPase Glo Assays
Authors: Tschirpke Sophie , Daalman Werner K.‐G. , Laan Liedewij
Published: April 2024

In different cellular activities such as signal transduction, cell division, and intracellular transportation, small guanosine triphosphatases (GTPases) take on a vital role. Their function involves hydrolysis of guanosine triphosphate (GTP) to guanosine diphosphate (GDP). In this article, we explain the application of a commercially available GTPase assay—the GTPase Glo assay by Promega—for investigation of GTPase‐effector interactions. We provide experimental protocols together with an analysis model and software to obtain GTPase cycling rates of GTPases and GTPase:effector mixtures. GTPase cycling rates refer to the rates by which a GTPase completes an entire GTPase cycle. These rates enable quantification of the strength of GTPase effectors in a concentration‐dependent fashion, as well as quantification of the combined effect of two effectors, independent of which GTPase cycle step they are affecting. © 2024 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol: Conducting GTPase Glo assays

Support Protocol 1: Analyzing GTPase assays to correlate luminescence with remaining GTP

Support Protocol 2: Fitting GTPase assay data to obtain GTPase cycling rates