bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding the Cost of Basic Drinking Water Services in the United States: A National Assessment
Authors: Hughes Sara , Kirchhoff Christine J. , Lee Michelle , Switzer David 
Published: January 2025

ABSTRACTThe cost of basic drinking water services has implications for affordability, investment capacity, and public health. The fragmentation of drinking water services in the United States makes it difficult to reliably track and compare what customers pay for basic drinking water services. This paper uses a new, national dataset to examine the social, political, environmental, and institutional drivers of the cost of basic drinking water services, measured as the cost to households of 6000 gal of water per month. We find basic drinking water service costs vary widely across the United States. Costs are generally higher in smaller and more liberal cities and lower in places that rely on groundwater sources. Our findings provide a unique national perspective on variation in, and drivers of, the cost of basic water services and can inform efforts to improve the affordability, accessibility, and quality of drinking water services in the United States.
Workforce Challenges and Opportunities in West Virginia's Water Sector
Authors: Garner Emily , Bridges Eva , Cunningham Kara , Anderson Christopher , Vasam Vinila 
Published: January 2025

Key TakeawaysAction is urgently needed to address the aging water workforce in West Virginia, with more than half of the sector's workers in the state nearing retirement.Employee recruitment is a challenge, with most operators midway to late in their career, a lack of diverse backgrounds in the industry, and barriers such as pay and certification.Employee retention issues exist because many operators feel underpaid and underappreciated, with limited opportunities for advancement.
Understanding the Build America, Buy America Act
Authors: Stroebl T.J. 
Published: January 2025

Key TakeawaysThe Build America, Buy America Act, or BABA, brought new domestic procurement requirements to US drinking water and wastewater systems that receive federal funding for infrastructure projects.To implement financial assistance programs and develop compliance guidelines, federal agencies take their cue from the US Office of Management and Budget's (OMB's) BABA interpretation and guidance.All stakeholders, including those in the water sector, will find compliance with BABA a smoother process if they take advantage of the guidance that is available from OMB and federal agencies.
Unraveling the Degradation Mechanism of LiNbO3‐Coated NCM Cathode at High Potential in All‐Solid‐State Batteries Using 10 K Extended X‐ray Absorption Fine Structure Analysis
Authors: Park Yong Jun , Su Yixiao , Yamamoto Kentaro , Watanabe Toshiki , Thakur Neha , Kumar Mukesh , Matsunaga Toshiyuki , Uchimoto Yoshiharu 
Published: January 2025

AbstractAll solid‐state batteries (ASSBs) utilizing sulfide‐based solid electrolytes hold promise for enhancing battery energy density while mitigating safety concerns, thus meeting the stringent requirements for electric vehicle applications. For the practical application of ASSBs, it is important to stabilize the interface between the solid electrolyte and the cathode. Although cathode coated with a thin layer of LiNbO3 provide higher interface stability, which significantly improves charge‐discharge and cycle performance, degradation at high potentials has also been noted. In this study, we focused on the degradation mechanism of LiNbO3‐coated LiNi0.5Co0.2Mn0.3O2 cathode active materials at high potentials by using three electrode system for ASSBs, which allows separating the impedance measurement of the interface between cathode and solid electrolyte. We performed X‐ray absorption spectroscopy (XAS) measurements at low temperature (10 K) to analyze the local structure around Nb and correlate these findings with impedance measurements. Our results indicate that the impedance of LiNbO3 increased rapidly due to the oxygen desorption reaction at high potentials. This study aims to elucidate the dynamic changes and degradation mechanism of LiNbO3‐coated LiNi0.5Co0.2Mn0.3O2 in ASSBs and provide new ideas for the design of interfacial coating materials.
Bioactive Polysaccharides From Cremastra Appendiculata Attenuate Lipid Accumulation In Vitro Model of Non‐Alcoholic Fatty Liver Disease
Authors: Yin Yuan , Guo Haiyang , Chen Jiang , Yang Yang , Li Xiaojun , Zhang Xue 
Published: January 2025

ABSTRACTNon‐alcoholic fatty liver disease (NAFLD) is the most common chronic disease with a rapidly growing incidence worldwide, presenting as an ever‐increasing burden to the healthcare system. In this study, we explored that Cremastra appendiculata, a valuable traditional medicine in China, could alleviate lipid accumulation in HepG2 cells. C. appendiculata polysaccharide (CAP) was extracted from the pseudobulbs of C. appendiculata and oligosaccharide (oligoCAP) was obtained by enzymatical digestion of the CAP with endo‐β‐mannanase. Molecular weight of CAP and oligoCAP was determined to be 46 415 and 933 Da. Oleic acid (OA) induced steatosis in HepG2 cells was adopted as an in vitro NAFLD model. CAP and oligoCAP could reduce the OA‐induced lipid accumulation and significantly reduce the total cholesterol and triglyceride content in the HepG2 cells. CAP and oligoCAP possessed lipid‐lowering and anti‐inflammatory activities especially by enhancing lipolysis and suppressing lipid synthesis shown by quantitative polymerase chain reaction results. Transcriptome analysis showed that CAP and oligoCAP mainly played anti‐NAFLD roles in the pathways of lipid metabolism and necroptosis. Moreover, in vivo biodistribution results showed that both CAP and oligoCAP were mostly distributed in the small intestine and stomach tissues 24 h after administration, which may be related to the structural and molecular weight characterization of the polysaccharides.
Structural Insights into Broad‐Range Polyphosphate Kinase 2‐II Enzymes Applicable for Pyrimidine Nucleoside Diphosphate Synthesis
Authors: Kuge Marco , Keppler Michael , Friedrich Florian , Saleem‐Batcha Raspudin , Winter Juliana , Prucker Isabel , Germer Philipp , Gerhardt Stefan , Einsle Oliver , Jung Manfred , Jessen Henning J. , Andexer Jennifer N. 
Published: January 2025

AbstractPolyphosphate kinases (PPK) play crucial roles in various biological processes, including energy storage and stress responses, through their interaction with inorganic polyphosphate (polyP) and the intracellular nucleotide pool. Members of the PPK family 2 (PPK2s) catalyse polyP–consuming phosphorylation of nucleotides. In this study, we characterised two PPK2 enzymes from Bacillus cereus (BcPPK2) and Lysinibacillus fusiformis (LfPPK2) to investigate their substrate specificity and potential for selective nucleotide synthesis. Both enzymes exhibited a broad substrate scope, selectively converting over 85 % of pyrimidine nucleoside monophosphates (NMPs) to nucleoside diphosphates (NDPs), while nucleoside triphosphate (NTP) formation was observed only with purine NMPs. Preparative enzymatic synthesis of cytidine diphosphate (CDP) was applied to achieve an yield of 49 %. Finally, structural analysis of five crystal structures of BcPPK2 and LfPPK2 provided insights into their active sites and substrate interactions. This study highlights PPK2‐II enzymes as promising biocatalysts for the efficient and selective synthesis of pyrimidine NDPs.
Recent Advances in Biocatalytic and Chemoenzymatic Synthesis of Oligonucleotides
Authors: Bizat Pierre Nicolas , Sabat Nazarii , Hollenstein Marcel 
Published: January 2025

AbstractAccess to synthetic oligonucleotides is crucial for applications in diagnostics, therapeutics, synthetic biology, and nanotechnology. Traditional solid phase synthesis is limited by sequence length and complexities, low yields, high costs and poor sustainability. Similarly, polymerase‐based approaches such as in vitro transcription and primer extension reactions do not permit any control on the positioning of modifications and display poor substrate tolerance. In response, biocatalytic and chemoenzymatic strategies have emerged as promising alternatives, offering selective and efficient pathways for oligonucleotide synthesis. These methods leverage the precision and efficiency of enzymes to construct oligonucleotides with high fidelity. Recent advancements have focused on optimized systems and/or engineered enzymes enabling the incorporation of chemically modified nucleotides. Biocatalytic approaches, particularly those using DNA/RNA polymerases provide advantages in milder reaction conditions and enhanced sustainability. Chemoenzymatic methods, combining chemical synthesis and enzymes, have proven to be effective in overcoming limitations of traditional solid phase synthesis. This review summarizes recent developments in biocatalytic and chemoenzymatic strategies to construct oligonucleotides, highlighting innovations in enzyme engineering, substrate and reaction condition optimization for various applications. We address crucial details of the methods, their advantages, and limitations as well as important insights for future research directions in oligonucleotide production.
Deciphering and Countering Formic Acid Permeability in Zero‐Gap Electrolyzers
Authors: Tabot Ojong , Pellumbi Kevinjeorjios , Hoof Lucas , Siegmund Daniel , junge Puring Kai , Apfel Ulf‐Peter 
Published: January 2025

AbstractIn recent years, formic acid (FA) has garnered attention as a compelling molecule for various chemical and everyday applications. Additionally, with recent studies demonstrating direct FA generation through CO2 electrolysis, it can serve as a stable liquid hydrogen carrier. Nevertheless, FA‐permeability via semi‐permeable ion–exchange membranes (FA‐crossover) still constitutes a major issue in scalable polymer‐electrolyte separated zero‐gap electrolyzers, limiting the breakthrough of the technology to the larger‐scale. Herein we present a holistic route towards understanding the mechanism of FA‐crossover in zero‐gap electrolyzers. The gained know‐how through formic acid solution uptake, gel‐phase conductivity, and membrane permeability measurements allowed for the development of an easy‐to‐scale barrier layer, showing a FA‐flux (JFA) decrease by 46 % at 200 mA cm−2 compared to bare Nafion‐membranes.
Selenium Nucleophilicity and Electrophilicity in the Intra‐ and Intermolecular SN2 Reactions of Selenenyl Sulfide Probes
Authors: Madabeni Andrea , Zeisel Lukas , Thorn‐Seshold Oliver , Orian Laura 
Published: January 2025

AbstractChalcogenide exchange reactions are an important class of bimolecular nucleophilic substitution reactions (SN2) involving sulfur and selenium species as nucleophile, central atom, and/or leaving group, which are fundamental throughout redox biology and metabolism. While thiol‐disulfide exchange reactions have been deeply investigated, those involving selenium are less understood, especially with regards to the polarised selenenyl sulfides RSe–SR’. This functional group, which is fundamental in the biochemistry of glutathione peroxidase and thioredoxin reductase enzymes, was recently incorporated in the molecular scaffold of a TrxR1 specific probe, “RX1”. Here, we investigate the SN2@S and SN2@Se reactions of selenenyl sulfides in silico to provide the first comprehensive overview of their kinetic and thermodynamic trends, referencing against symmetrical disulfides and diselenides. Then, the role of SN2@S and SN2@Se reactions in RX1 chemistry is explored, and a mechanistic picture of its biological chemistry is provided. Additionally, we quantify the role of alternative exchange reactions in the double‐exchange chemistry of RX1. This analysis rationalises the origins of RX1’s TrxR‐specificity even within thiol‐rich cellular environments and can support the design and applications of a range of selenenyl sulfide‐based bioactive probes. Particularly, we observe that the intramolecular SN2@Se reaction which restores RX1 ground state is an effective protective mechanism against unspecific activation by thiols, explaining its capacity to work in high‐thiol concentration.
Benzo‐Fused Phosphepines: Synthesis by Gold(I)‐Catalyzed Intramolecular Hydroarylation and Ring Inversion
Authors: Tsurusaki Akihiro , Kishimoto Marii , Komura Akihiro , Ura Rikako , Kamikawa Ken 
Published: January 2025

AbstractGold(I)‐catalyzed intramolecular hydroarylation of dialkynyl(biaryl)phosphine oxides provided versatile benzo‐fused phosphepine oxides. O‐exo adducts were obtained as the major product, and O‐endo adducts were the minor product. O‐exo and O‐endo indicate the position of an oxygen atom with respect to the central phosphepine framework. The isomers of dibenzo[b,d]phosphepine oxides with methyl and phenyl groups in an adjacent position (shown as 2 a and 3 a in the main text) were determined by X‐ray crystallographic analysis. O‐exo and O‐endo adducts are diastereomers owing to the central chirality of the phosphorus atom and the planar chirality of phosphepine, and they are interconverted through a ring inversion of phosphepine via a transition state with a planar structure. The inversion barrier, fully estimated through theoretical calculations, drastically varied depending on the substituents in the phosphepine framework and/or the fusion of benzene and thiophene rings. Furthermore, the kinetics of the thermal isomerization of less stable O‐endo product 3 a into O‐exo product 2 a was examined.
Addressing Data Point Homogeneity and Annotation Challenges to Enhance Data‐Driven Approaches: The S. aureus NorA Efflux Pump Case Study
Authors: Astolfi Andrea , Cernicchi Giada , Primavera Erika , Rocchi Marco , Manfroni Giuseppe , Sabatini Stefano , Letizia Barreca Maria 
Published: January 2025

AbstractIn this study, we analyzed publicly accessible data related to the Staphylococcus aureus NorA protein, a well‐known efflux pump involved in antimicrobial resistance. Our analysis revealed several inconsistencies in data annotation, and significant issues concerning the homogeneity across datasets, which compromise the reliability of data‐driven approaches aimed at identifying novel Staphylococcus aureus NorA efflux pump inhibitors (EPIs). To address these challenges, we propose a standardized pipeline for experimental procedures and data annotation, designed to enhance the consistency and quality of EPI datasets submitted to repositories, thereby increasing the utility of publicly available datasets for the discovery of potential EPIs. By implementing this framework, the findings reported herein aim to foster more reliable and reproducible research outcomes in drug discovery projects targeting NorA or other efflux pumps.
Pelvic Radiotherapy in Rectal Cancer Patients With Synchronous Potentially Treatable Liver Metastases
Authors: Huang Yayu , Chen Genwen , Zhang Xian , Qian Yang , Wang Jian 
Published: January 2025

ABSTRACTBackgroundThe optimal management strategy for Stage IV rectal cancer with potentially treatable liver metastases remains controversial, particularly regarding the role of pelvic radiotherapy (RT).AimsWe intend to investigate the impact of pelvic RT on oncological outcomes of rectal cancer with potentially treatable liver metastasis.Methods and ResultsThis retrospective study included 83 patients diagnosed with rectal cancer and synchronous liver metastases from June 2012 to January 2022. All patients underwent radical surgery for rectal cancer and treatment of synchronous liver metastases, as determined by a multidisciplinary team (MDT). We divided the 83 patients into two treatment groups: chemoradiotherapy and surgery (CRT + S) and chemotherapy and surgery (C + S). The CRT + S group (n = 40) received pelvic RT, systemic therapy, and liver metastasis treatment. The C + S group (n = 43) received systemic therapy and liver metastasis treatment only. A total of 83 patients were analyzed with a median follow‐up of 45 months (range 12–127 months). In the CRT + S group, 48.2% (40/83) of patients underwent chemoradiotherapy, while the C + S group comprised 51.8% (43/83) of patients who received chemotherapy only. The CRT + S group demonstrated significantly longer local recurrence‐free survival compared to the C + S group (median 37.5 vs. 34 months; p = 0.011). In addition, patients in the CRT + S group had a longer median overall survival (OS) compared to the C + S group (46.50 vs. 44.0 months; p = 0.0497). Notably, achieving no evidence of disease (NED) status after definitive treatment for both primary and liver metastases was associated with improved OS (p = 0.008).ConclusionThis study suggests that the addition of pelvic RT to multimodality therapy for patients with rectal cancer and potentially treatable liver metastases may improve local control and long‐term survival. The findings support the consideration of RT in the clinical management of this patient population.
Confined Growth by Self‐Combustion of a Cu‐Based Nanophase into Mesostructured Acid Supports for DME Production from CO2
Authors: Secci Fausto , Mameli Valentina , Sanna Angotzi Marco , Atzori Luciano , Piroddi Lorenza , Pinna Nicola , Mureddu Mauro , Cannas Carla 
Published: January 2025

AbstractThis work deals with the design of nanocomposite hydrogenation‐dehydration bifunctional catalysts for the one‐pot conversion of CO2 to dimethyl ether (DME), focusing on obtaining a high and homogeneous dispersion of a Cu‐based CO2 hydrogenation phase into the pores of mesostructured supports. Particularly, three aluminosilicate mesostructured acid catalysts with catalytic activity towards methanol dehydration and featuring different porous structures (Al‐MCM‐41, Al‐SBA‐15, Al‐SBA‐16) were synthesized and used as supports to host a CuO/ZnO/ZrO2 (CZZ) CO2 hydrogenation catalyst for methanol synthesis. The use of a mesostructured support allows to maximize the exposed surface of the CO2 reduction function by nanostructuring it through its confinement within the mesochannels, thus obtaining nanocomposite bifunctional catalysts with an ultra‐small hydrogenation nanophase. The nanocomposites were obtained using an impregnation strategy combined with a self‐combustion reaction, allowing to incorporate the CO2 reduction phase inside the mesopores. In all cases, the characterization shows that the hydrogenation phase species are highly and homogeneously dispersed into the supports as either small nanoparticles or as a nanolayer. The as‐obtained nanocomposites were tested for their catalytic activity and the results discussed taking into account the structural, textural, and acidic properties of the supports and nanocomposites.
Recent Trends in Bioinspired Photocatalysis and Photoenzymatic Catalysis for CO2 Reduction to Formic Acid
Authors: Xing Fangshu , Bai Jingwen , Zhang Minghui , Mao Yuyin , Liu Jian 
Published: January 2025

AbstractThe conversion of CO2 into fuels and chemical feedstocks represents a sustainable pathway to develop carbon‐neutral economy. Typically, among the accessible C1 commodities, formic acid has been a critical liquid product of CO2 reduction as an essential chemical intermediate or hydrogen storage medium. However, the activity and selectivity regulation of CO2‐to‐HCOOH are still far from the scale implementation requirement due to both thermodynamic and kinetic challenges. Billions of years of evolution have allowed natural CO2 reductases to achieve CO2 selective utilization by their unique active sites surrounded by elaborate protein scaffolds, confined pockets for reaction intermediates, long‐range electron and proton delivery chains, and hydrophobic CO2 transfer channels. Consequently, learning from formate dehydrogenase (FDH) may inspire novel design in artificial photosynthesis, including the reactive center, multilevel coordination microenvironments, substrate channel, and synergistic effect. Herein, recent works about biomimetic photocatalysis and photoenzymatic catalysis of CO2 valorization to HCOOH are summarized, which is hoped to lift the application of bioinspiration in highly selective CO2 reduction systems.
Concentrated Solar‐Driven Catalytic CO2 Reduction: From Fundamental Research to Practical Applications
Authors: Ren Yuqi , Lan Shengnan , Zhu Yuan‐Hao , Peng Ruoxuan , He Hongbin , Si Yitao , Huang Kai , Li Naixu 
Published: January 2025

AbstractConcentrated solar‐driven CO2 reduction is a breakthrough approach to combat climate crisis. Harnessing the in‐situ coupling of high photon flux density and high thermal energy flow initiates multiple energy conversion pathways, such as photothermal, photoelectric, and thermoelectric processes, thereby enhancing the efficient activation of CO2. This review systematically presents the fundamental principles of concentrated solar systems, the design and classification of solar‐concentrating devices, and industrial application case studies. Meanwhile, key technological advances–from theoretical foundations to practical applications–are also discussed. At the microscopic level, a comprehensive analysis of multiscale reaction kinetics within the domain of photothermal synergistic catalysis has been conducted. This analysis elucidates the significance of catalyst design, further detailing the intricate regulatory mechanisms governing reaction pathways and active sites through nanostructured catalysts, single‐atom catalysts, and metal‐support interactions. However, the transition from laboratory research to industrial‐scale application still faces challenges, including the complexity of system integration, energy density optimization, and economic feasibility. This review provides a theoretical framework and practical guidance through a complete investigation of current technological bottlenecks and future development directions, with the aim of driving key advances in concentrated solar‐driven CO2 reduction catalysis.
Design of Carbon Materials with Selective Ion Separation in Capacitive Deionisation and Their Applications
Authors: Ma Jie , Liang Shuzhen , Yang Xue , Wang Yabo , Wang Bingzheng , Gao Wei , Ye Kang , Maihaiti Mairemu , Iqbal Javed , Abdukayum Abdukader , Pan Fanghui 
Published: January 2025

AbstractCapacitive deionization (CDI) is a novel, cost‐effective and environmentally friendly desalination technology that has garnered significant attention in recent years. Carbon materials, owing to their excellent properties, have become the preferred electrode materials for CDI. Given the significant differences between different ions, ion‐selective performance has emerged as a critical aspect of CDI applications. However, comprehensive reviews on the selective ion separation capabilities of carbon materials for CDI remain scarce. This review examines the progress in developing carbon materials for ion‐selective separation in CDI, focusing on regulatory mechanisms and representative materials. It also discusses the applications of selective CDI carbon materials in areas such as heavy metal removal, nutrient recovery, seawater desalination resourcing, and water softening. Furthermore, the challenges and future prospects for advancing carbon materials in CDI are explored. This review aims to provide theoretical insights and practical guidance for utilising carbon materials in wastewater treatment and resource recovery.