bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tuning the Valence of MnOx Cathodes Reveals the Universality of the Proton‐Coupled Electrodissolution/Electrodeposition Mechanism in Rechargeable Aqueous Zn Batteries
Authors: Singh Arvinder , Laberty‐Robert Christel , Balland Véronique , Limoges Benoît 
Published: October 2023

AbstractThe charge storage mechanism of manganese oxides (MnOx) in rechargeable mild aqueous Zn batteries is still a matter of debate, with no consensus on mechanism and charge carriers. In this work, this issue is addressed by relying on a quantitative and comparative electrochemical study of low‐valence crystalline MnOx cathodes in a range of aqueous electrolytes, with a primary focus on spinel Mn3O4. The results demonstrate that the oxidation state of Mn in MnOx structures as well as their degree of crystallinity have little impact on the electrochemical reactivity, all MnOx being fully converted into soluble Mn2+ upon discharge. It is further revealed that this electrodissolution mechanism is affected by Mn3O4 dismutation in the most acidic electrolytes. Accordingly, the true thermodynamics and kinetics of Mn3O4 are only accessible at mildly acidic to neutral pHs. In addition, the study confirms the phase transformation of Mn3O4 to Mn5O8 upon galvanostatic oxidation, and demonstrates that this transformation only proceeds in Mn2+‐free electrolytes, since otherwise amorphous MnO2 electrodeposits on top of Mn3O4. Finally, it is concluded that regardless of the starting MnOx material, after the first discharge or a first charge/discharge cycle, subsequent charge/discharge cycles rely on a reversible proton‐coupled electrodeposition of amorphous MnO2.
A directional growth strategy for high layer charge Li/Al‐LDHs to reinforce Li+ extraction in low‐grade salt lake brines
Authors: Chen Jun , Lian Cheng , Yu Jianguo , Lin Sen 
Published: October 2023

AbstractNovel Li/Al‐LDHs with high layer charges (HCLDHs) were synthesized in the light of the inter‐layer effect on Li+ adsorption. Compared with conventional low‐charge Li/Al‐LDHs (LCLDHs), HCLDHs exhibited a distinct micromorphology characterized by a preferential growth orientation along the c‐axis and a significantly reduced lateral diameter. Adsorption experiments showed that HCLDHs possessed superior Li+ adsorption performance in various brines, specifically with a Li+ adsorption capacity of 9.72 mg/g in Qarhan old brine, surpassing that of LCLDHs by 2 mg/g. All‐around characterizations and finite element analysis calculations uncovered that the reduced lateral dimensions facilitated the exposure of more accessible Li+ adsorption sites, while the high positive charge of the host layers decreased the electrostatic repulsion toward Li+ by attracting anions and increased the surrounding ionic strength. Surface photovoltage (SPV) and x‐ray absorption fine structure (XAFS) further proved the structural stability of HCLDHs, which ensured the maintenance of a high Li+ adsorption capacity during adsorption–desorption cycles.
Phenotypic and genotypic characterization of 1q21.1 copy number variants: A report of 34 new individuals and literature review
Authors: Bourgois Alexia , Bizaoui Varoona , Colson Cindy , Vincent‐Devulder Aline , Molin Arnaud , Gérard Marion , Gruchy Nicolas 
Published: October 2023

AbstractRecurrent 1q21.1 copy number variants (CNVs) have been associated with a wide spectrum of clinical features, ranging from normal phenotype to moderate intellectual disability, with congenital anomalies and dysmorphic features. They are often inherited from unaffected parents and the pathogenicity is difficult to assess. We describe the phenotypic and genotypic data for 34 probands carrying CNVs in the 1q21.1 chromosome region (24 duplications, 8 deletions and 2 triplications). We also reviewed 89 duplications, 114 deletions and 5 triplications described in the literature, at variable 1q21.1 locations. We aimed to identify the most highly associated clinical features to determine the phenotypic expression in affected individuals. Developmental delay or learning disabilities and neuropsychiatric disorders were common in patients with deletions, duplications and triplications of 1q21.1. Mild dysmorphic features common in these CNVs include a prominent forehead, widely spaced eyes and a broad nose. The CNVs were mostly inherited from apparently unaffected parents. Almost half of the CNVs were distal, overlapping with a common minimal region of 1.2 Mb. We delineated the clinical implications of 1q21.1 CNVs and confirmed that these CNVs are likely pathogenic, although subject to incomplete penetrance and variable expressivity. Long‐term follow‐up should be performed to each newly diagnosed case, and prenatal genetic counseling cautiously discussed, as it remains difficult to predict the phenotype in the event of an antenatal diagnosis.
NIAGADS Alzheimer's GenomicsDB: A resource for exploring Alzheimer's disease genetic and genomic knowledge
Authors: Greenfest‐Allen Emily , Valladares Otto , Kuksa Pavel P. , Gangadharan Prabhakaran , Lee Wan‐Ping , Cifello Jeffrey , Katanic Zivadin , Kuzma Amanda B. , Wheeler Nicholas , Bush William S. , Leung Yuk Yee , Schellenberg Gerard , Stoeckert Christian J. , Wang Li‐San 
Published: October 2023

AbstractINTRODUCTIONThe National Institute on Aging Genetics of Alzheimer's Disease Data Storage Site Alzheimer's Genomics Database (GenomicsDB) is a public knowledge base of Alzheimer's disease (AD) genetic datasets and genomic annotations.METHODSGenomicsDB uses a custom systems architecture to adopt and enforce rigorous standards that facilitate harmonization of AD‐relevant genome‐wide association study summary statistics datasets with functional annotations, including over 230 million annotated variants from the AD Sequencing Project.RESULTSGenomicsDB generates interactive reports compiled from the harmonized datasets and annotations. These reports contextualize AD‐risk associations in a broader functional genomic setting and summarize them in the context of functionally annotated genes and variants.DISCUSSIONCreated to make AD‐genetics knowledge more accessible to AD researchers, the GenomicsDB is designed to guide users unfamiliar with genetic data in not only exploring but also interpreting this ever‐growing volume of data. Scalable and interoperable with other genomics resources using data technology standards, the GenomicsDB can serve as a central hub for research and data analysis on AD and related dementias.Highlights
The National Institute on Aging Genetics of Alzheimer's Disease Data Storage Site (NIAGADS) offers to the public a unique, disease‐centric collection of AD‐relevant GWAS summary statistics datasets.
Interpreting these data is challenging and requires significant bioinformatics expertise to standardize datasets and harmonize them with functional annotations on genome‐wide scales.
The NIAGADS Alzheimer's GenomicsDB helps overcome these challenges by providing a user‐friendly public knowledge base for AD‐relevant genetics that shares harmonized, annotated summary statistics datasets from the NIAGADS repository in an interpretable, easily searchable format.
Core‐Shell Reactor Partitioning Enzyme and Prodrug by ZIF‐8 for NADPH‐Sensitive In Situ Prodrug Activation
Authors: Wang Bo , Zhang Sheng , Shen Zi‐Tao , Hou Ting , Zhao Yi‐Han , Huang Meng‐Sheng , Li Jian , Chen Huan , Hu Peng‐Hui , Luo Zi‐Jiang , Yuan Shuai , Wang Feng‐Min , Li Wei , Shu Chang , Xia Xing‐Hua , Ding Ya 
Published: October 2023

AbstractEnzyme‐prodrug therapies have shown unique advantages in efficiency, selectivity, and specificity of in vivo prodrug activation. However, precise spatiotemporal control of both the enzyme and its substrate at the target site, preservation of enzyme activity, and in situ substrate depletion due to low prodrug delivery efficiency continue to be great challenges. Here, we propose a novel core–shell reactor partitioning enzyme and prodrug by ZIF‐8, which integrates an enzyme with its substrate and increases the drug loading capacity (DLC) using a prodrug as the building ligand to form a Zn‐prodrug shell. Cytochrome P450 (CYP450) is immobilized in ZIF‐8, and the antitumor drug dacarbazine (DTIC) is coordinated and deposited in its outer layer with a high DLC of 43.6±0.8 %. With this configuration, a much higher prodrug conversion efficiency of CYP450 (36.5±1.5 %) and lower IC50 value (26.3±2.6 μg/mL) are measured for B16‐F10 cells with a higher NADPH concentration than those of L02 cells and HUVECs. With the tumor targeting ability of hyaluronic acid, this core–shell enzyme reactor shows a high tumor suppression rate of 96.6±1.9 % and provides a simple and versatile strategy for enabling in vivo biocatalysis to be more efficient, selective, and safer.
Enzymatic Upcycling of PET Waste to Calcium Terephthalate for Battery Anodes
Authors: Xue Rui , Qiu Canhao , Zhou Xiaoli , Cheng Yun , Zhang Zhen , Zhang Yi , Schröder Uwe , Bornscheuer Uwe T. , Dong Weiliang , Wei Ren , Jiang Min 
Published: October 2023

AbstractBiotechnological recycling offers a promising solution to address the environmental concerns associated with waste plastics, particularly polyethylene terephthalate (PET), widely utilized in packaging materials and textiles. To advance the development of a bio‐based circular plastic economy, innovative upcycling strategies capable of generating higher‐value products are needed. In this study, we enhanced the enzymatic depolymerization of waste PET by incorporating highly concentrated calcium ions (up to 1 m) to the hydrolytic reaction catalyzed by the best currently known enzyme LCCICCG. The presence of calcium ions not only improved the thermal stability and activity of the biocatalyst but also significantly reduced the consumption of base required to maintain optimal pH levels. Employing optimized conditions at 80 °C for 12 h, we successfully converted ≈84 % of the waste PET (200 g L−1) into solid hydrated calcium terephthalate (CaTP ⋅ 3H2O) as the primary product instead of soluble terephthalate salt. CaTP ⋅ 3H2O was easily purified and employed as a raw material for battery electrode production, exhibiting an initial reversible specific capacity of 164.2 mAh g−1. Through techno‐economic analysis, we conclusively demonstrated that the one‐pot biocatalysis‐based synthesis of CaTP is a superior PET upcycling strategy than the secondary synthesis method employing recycled terephthalic acid.
Cascade Reactions of Aryl‐Substituted Terminal Alkynes Involving in Situ‐Generated α‐Imino Gold Carbenes
Authors: Sun Qiaoying , Hüßler Christopher , Kahle Justin , Mackenroth Alexandra V. , Rudolph Matthias , Krämer Petra , Oeser Thomas , Hashmi A. Stephen K. 
Published: October 2023

AbstractAn efficient, highly selective and divergent synthetic method to construct 2‐substituted indoles and aryl‐annulated carbazoles via the intermolecular generation of α‐imino gold carbenes from terminal alkynes or diynes in combination with sulfilimines is disclosed. Importantly, the tandem reaction is proposed to proceed through an intermolecular gold carbene generation/C−H annulation followed by the activation of a second alkyne leading to 6‐endo‐dig cyclization, which is significantly different from previous dual activation or 1,6‐carbene shift approaches for diyne systems. In the case of ortho‐alkynylaniline as starting material, an unexpected regioselective formation of the indole moiety via the intermolecular path, instead of intramolecular hydroamination was discovered. This reactivity paved the way for a one‐pot synthesis of the 11H‐indolo [3,2‐c] quinoline scaffold by exploiting the formed amino indole for a subsequent Pictet–Spengler reaction with aldehydes. The photophysical properties of the carbazoles indicated good violet‐blue emission with quantum yields up to 40 %.
Guidelines in Practice: Prevention of Venous Thromboembolism
Authors: Speth Jennifer 
Published: October 2023

ABSTRACTVenous thromboembolism (VTE), a condition involving deep vein thrombosis and embolism, can cause death when left untreated. Hospitalized patients and those who have recently undergone surgery or have a cancer diagnosis are at increased risk for VTE development. The updated AORN “Guideline for prevention of venous thromboembolism” provides perioperative nurses with a variety of evidence‐based recommendations associated with the topic. This article provides an overview of the guideline and discusses recommendations for a VTE protocol, VTE and bleeding risk assessments, pharmacologic and mechanical VTE prophylaxis, postoperative ambulation, and patient and family education. It also includes a scenario that illustrates the importance of the VTE assessment and the use of mechanical prophylaxis for high‐risk patients undergoing operative or other invasive procedures. Perioperative nurses should review the guideline in its entirety and implement recommendations in operative and procedural settings.
N,O‐Codoped Onion‐like Carbon Catalyzed Selective Oxidation of Methanol to Dimethoxymethane: Structure‐Activity Relationship
Authors: Bai Yunli L. , Dai Xueya , Cao Tianlong L. , Qi Wei 
Published: October 2023

AbstractOne‐step synthesis of dimethoxymethane (DMM) via methanol oxidation under the catalysis of nanocarbon is a green and sustainable chemical industrial process. In this work, nitrogen, oxygen codoped onion‐like carbon (NOLC) were prepared via a simple thermal treatment method, which was applied to one‐step synthesis of DMM. The physicochemical characterization results revealed that nitrogen and oxygen elements were successfully introduced into the onion‐like carbon (OLC) catalyst. The proposed NOLC catalysts exhibited DMM selectivity of 75 % at relatively low reaction temperature (150 °C) and long stability over 10 h. In‐situ titration experiments revealed that the carboxylic acid groups on NOLC surface were the main acidic active sites. The Clemmensen reduction control experiment revealed that the carbonyl groups were the active sites for the formation of formaldehyde. The basic reaction kinetics and mechanism such as reaction orders, apparent activation energy and rate determining step etc. for one‐step synthesis of DMM via methanol were studied systematically. The present work shows an important structure‐function relation for designing highly efficient nanocarbon catalyzed methanol conversion reaction system that the appropriate redox/acid intensity on catalyst surface through the modulation of N and O elements would effectively improve the selectivity of DMM.
The Piezoionic Effect: Biomimetic Transduction Mechanism for Sensing, Actuation, Interface, and Energy Harvesting
Authors: Ho Derek 
Published: October 2023

AbstractThe transduction from mechanical to electrical signal or energy, and vice versa, has wide applications spanning wearable electronics, medical devices, human‐machine interfaces, prosthetics, synthetic biology, soft robotics, augmented reality (AR), internet‐of‐things (IoT), smart cities, environmental monitoring, energy conversation, and energy harvesting. Although many biological processes such as those in sensory receptors and cell communication uses ions, much of existing artificial intelligent sensory and processing systems operate based solely on electrons as signal or energy carriers. Therefore, the realization of natively ionic devices can significantly advance the frontiers of both capabilities and applications. This invited paper introduces the piezoionic effect, surveying the historical evolution, scientific description, methodology, application, future outlook, and current debates. This work complements existing ones in that it is an in‐depth analysis of key attributes of the piezoionics field but, unlike a conventional review, does not emphasize the categorization of individual works, though is also provided. This work is also aimed at facilitating the understanding and evaluation of the piezoionics field in terms of its key capabilities, promises, fundamental limitations, technical challenges, and practical applications. Piezoionics as a biomimetic mechanical‐electrical transduction mechanism is expected to grow rapidly. Through in‐depth analysis and working out implications for the future, it is hoped that this paper provides a foundation for further exploration, discussion, and collaboration across different fields. The community looks forward to the piezoionic effect evolving into a mainstream paradigm for the ubiquitous realization of sensors, actuators, interfaces, as well as energy harvesters and beyond.
Effect of fall harvest time on forage yield and nutritive value of three alfalfa cultivars with different root types
Authors: Foster Allan , Vera Cecil L. , Malhi Sukhdev S. , Gill Kabal S. , Biligetu Bill 
Published: October 2023

AbstractWarmer than normal late fall temperatures may change standard fall harvest management of alfalfa (Medicago sativa L.) in western Canada. The objective of this study was to evaluate the forage yield and nutritive value of three types of alfalfa cultivars under different harvest managements. A field experiment was conducted from 2013 to 2017 using rhizomatous type (RR), cv. AC Yellowhead (M. sativa subsp. falcata), tap root type (TR), cv. Equinox (ssp. sativa) and creeping root type (CR), cv. Spredor 4 alfalfa (ssp. sativa), at Melfort, SK, Canada. The five harvest treatments were two 1‐cut systems (early July or late July) and three 2‐cut systems (early July + early or late September, late July + late September). Total forage yield was greater in TR and CR alfalfa than RR alfalfa; however, RR alfalfa had higher total forage yield under dry growing conditions versus CR alfalfa. The three alfalfa cultivars had a similar response to 2‐cut harvest managements. The first cut yield was affected by the timing of the second cut of the previous year with the early September harvest reducing yield more than the late September. Three alfalfa cultivars had similar crude protein (CP), total digestible nutrient (TDN), and acid detergent fiber (ADF) concentrations. There was a significant nutrient yield benefit of TR and CR alfalfa under a 2‐cut system over the RR alfalfa. Although the prairie climate is warming, the findings suggest that a fall rest period until late September is recommended regardless of alfalfa types to maintain high hay yield over multiple years.
Retracted: Can the chemical industry solve the climate change?On the role of human energy production, renewable energies, and the potential of chemistry as a solution provider
Authors: Bertau Martin , Steiner Gerald 
Published: October 2023

AbstractClimate change is typically attributed to the amount of greenhouse gases, such as carbon dioxide, in the atmosphere. Here we propose a different view, which takes into account the climate‐effecting gas concentration but recognizes human overpopulation and the associated energy production as the real underlying cause. For the chemical industry, there is a lever to change things by replacing existing processes with more efficient ones and by recovering low caloric heat. In this way, the chemical industry can play the role of a driver, a pioneer in the fight against climate change, which underlines the importance of the chemical industry in industrialized countries.
Exploiting the prediction of mass transfer performance in aerated coaxial mixers containing biopolymer solutions using empirical correlations and neural networks
Authors: Barros Paloma L. , Ein‐Mozaffari Farhad , Lohi Ali , Upreti Simant 
Published: October 2023

AbstractThe volumetric mass transfer coefficient is commonly used to assess the mixing effectiveness of gas–liquid bioreactor systems. Analyzing mass transfer performance in non‐Newtonian fluids inside coaxial mixers can be challenging due to the complex interaction between process variables, which requires developing robust characterization and estimation approaches. This study aims to investigate the gas dispersion in shear‐thinning biopolymers with yield stress using coaxial mixers in order to evaluate the effects of aeration and agitation on the volumetric mass transfer coefficient. A mixing configuration comprising a pitched blade turbine and an anchor was employed to disperse air into xanthan gum solutions, and the mass transfer performance was obtained at different impeller speeds and biopolymer concentrations by measuring the dissolved oxygen concentration. A dimensionless empirical correlation was proposed, and the results showed that the mass transfer was positively influenced by aeration intensity and agitation mechanism, quantified by the gas flow number and Reynolds number, respectively. Additionally, a strategy using stacking‐ensemble artificial neural networks was developed to accurately estimate the volumetric mass transfer coefficient, with a correlation coefficient of 0.998. The proposed mass transfer characterization approach overcame the complexities of analyzing aerated coaxial mixer systems and provided a reliable design model for bioreactor systems containing non‐Newtonian fluids.
A‐PGRD: Attention‐based automatic business process model generation from RPA process description
Authors: Zhu Rui , Liu Hang , Xu Xiaolong , Lin Leilei , Chen Yeting , Li Wenxin 
Published: October 2023

SummaryRobotic process automation (RPA), a tool driven by business processes as the kernel, continues to heat up in the business community. However, process‐centric RPA modeling lacks an effective means. To address this problem, we propose a method for automatic process acquisition using RPA process descriptions as input. Existing deep learning process generation methods cannot be applied at the phrase level and have low accuracy at the sentence level. The proposed neural network method is based on an attention mechanism for automatic business process model generation from RPA process descriptions (A‐PGRD). The approach analyzes easily accessible and unstructured natural language text documents, constructs a non‐autoregressive neural network with an attention mechanism to retrieve the business process hierarchy, and generates a tree‐like business process graph using unsupervised automation. Through K‐fold cross‐validation, the method achieves an accuracy of 41.7% on the manually collected open‐source RPA business process dataset. Compared with the previous method, the method improves the learning efficiency by 23%–27%. The obtained results can be applied to the RPA tool to better optimize the business process and thus help organizations gain an edge over their competition.
Diffusion‐Ordered Spectroscopy (DOSY) as a Powerful NMR Method to Investigate Molecular Mobilities and Intermolecular Interactions in Complex Oil Mixtures
Authors: Yuan Meng , Xu Wenlong , Yang Ying , Li Suying , Yang Haiyan , Gao Jun , Jiang Heqing , Yang Menglong 
Published: October 2023

AbstractStudying the characteristics and molecular mechanisms of liquid self‐diffusion coefficient and viscosity changes is of great significance for, e. g., chemical and petroleum processing. As examples of highly complex liquid,an asphaltene‐free high‐acid and high‐viscosity crude oil and its extracted fractions were studied by comparing their 1H DOSY diffusion maps. The crude oil exhibited a polydisperse diffusion distribution, including multiple diffusion portions with diffusion coefficients much smaller than that of any single fraction in independent diffusion. The main mechanism that leads to the decreases in the diffusion coefficients of crude oil is attributed to diffusion resistance enhanced by Dynamical Molecular‐Interaction Networks (DMINs), rather than by enlargement of the diffusion species caused by molecular aggregation. Constructed through the synergistic interactions of various polar molecules in crude oil, DMINs dynamically bind polar molecules, trap polarizable molecules, and spatially hinder the free motion of non‐polar molecules. Overall, this reduces the mobility of all molecular species, as illustrated by the decreased diffusion coefficients. This study demonstrates that DOSY is a powerful NMR method to investigate molecular motion abilities also in complex mixtures. In addition, the insights in the influence of the interaction matrix on the molecular mobility also help to understand the contribution of “structural viscosity” to the viscosity of heavy oil.