bluuebunny/crossref_metadata_2025_split huggingface dataset:
From the Total Synthesis of Semi–Viriditoxin, Semi–Viriditoxic Acid and Dimeric Naphthopyranones to their Biological Activities in Burkitt B Cell Lymphoma
Authors: Weber Frederike , Weber Anja , Schmitt Laura , Lechtenberg Ilka , Greb Julian , Henßen Birgit , Wesselborg Sebastian , Pietruszka Jörg 
Published: February 2024

AbstractDimeric naphthopyranones are known to be biologically active, however, for the corresponding monomeric naphthopyranones this information is still elusive. Here the first enantioselective total synthesis of semi‐viriditoxic acid as well as the synthesis of semi–viriditoxin and derivatives is reported. The key intermediate in the synthesis of naphthopyranones is an α,β‐unsaturated δ‐lactone, which we synthesized in two different ways (Ghosez–cyclization and Grubbs ring–closing metathesis), while the domino–Michael–Dieckmann reaction of the α,β‐unsaturated δ‐lactone with an orsellinic acid derivative is the key reaction. A structure‐activity relationship study was performed measuring the cytotoxicity in Burkitt B lymphoma cells (Ramos). The dimeric structure was found to be crucial for biological activity: Only the dimeric naphthopyranones showed cytotoxic and apoptotic activity, whereas the monomers did not display any activity at all.
A New Molybdenum Blue Structure Type: How Uranium Expands this Family of Polyoxometalates
Authors: Felton Daniel E. , Smith Kyson R. , Poole Nicholas A. , Cronberger Karl , Burns Peter C. 
Published: February 2024

AbstractThe assembly of molybdenum polyoxometalates (POMs) has afforded large discrete nanoclusters with varied degrees of reduction such as the ~20 % reduced molybdenum blues. While many heterometals have been incorporated into these clusters to afford new properties, uranium has yet to be reported. Here we report the first uranium containing molybdenum blue clusters and the unique properties exhibited by this incorporation. The uranyl ion (UO22+) directs formation of Mo72U8, a square POM comprised of two faces connected by eight edge‐sharing molybdenum dimers. Mo72U8, a chiral cluster, crystallizes as a racemic mixture and, in the solid state, has a ‘negative’ charge localized on one face of the cluster opposite the ‘positively’ charged face of another cluster. Using U(IV) as both heterometal and molybdenum reductant afforded crystals of Mo97U10, a wheel cluster with a heptamolybdate cap on one face. Mo97U10 dissociates in solution, losing the heptamolybdate, to form Mo90U10. Using more solvent during synthesis afforded crystals of Mo90U10S4 which, instead of heptamolybdate, contains four sulfate ions. Crystals of Mo90U10S4 undergo a dehydration induced phase change where clusters form a sheet through oxide bridges. Half of the bridges are cation‐cation interactions between the uranyl oxygen atom and molybdenum, the first reported of this kind.
Chiral recognition and discrimination studies of tyrosine enantiomers on (−)‐18‐crown‐6‐tetracarboxylic acid as a chiral selector by nuclear magnetic resonance spectroscopy and docking simulations
Authors: Lee Gaeun , Adhikari Suraj , Lee Sunho , Lee Jeong Yeon , Na Yun‐Cheol , Lee Wonjae , Bang Eunjung 
Published: February 2024

AbstractConsidering the substantial significance of chiral biomolecules, such as amino acids, in our daily routines, we performed chiral recognition and discrimination of tyrosine (Tyr) enantiomers on (−)‐(18‐crown‐6)‐2,3,11,12‐tetracarboxylic acid [(−)‐18‐C‐6‐TA] as crown‐ether type chiral selector (CS) by nuclear magnetic resonance (NMR) spectroscopy and docking simulations. In this study, successful discrimination of the enantiomers of Tyr was achieved, as evidenced by the proton chemical shift differences (ΔΔδ) of Tyr enantiomers observed in the 1H NMR spectra with (−)‐18‐C‐6‐TA CS. We compared the results of these two techniques with the findings obtained from high performance liquid chromatography (HPLC) investigations. In both NMR and HPLC experimental and docking simulation studies, a stronger interaction between the L‐Tyr enantiomer with (−)‐18‐C‐6‐TA CS than the D‐Tyr was consistently observed. Also, the binding energy differences (ΔΔEL‐D) found in simulation data that correspond to enantioselectivity aligned well with the NMR experimental result.
Stability challenges and opportunities of NiFe‐based electrocatalysts for oxygen evolution reaction in alkaline media
Authors: Han Yujun , Wang Jingyi , Liu Yuhang , Li Tianqi , Wang Tongzhou , Li Xinyue , Ye Xinran , Li Guodong , Li Jihong , Hu Wenbin , Deng Yida 
Published: February 2024

AbstractWater splitting is a critical process for the production of green hydrogen, contributing to the advancement of a circular economy. However, the application of water splitting devices on a large scale is primarily impeded by the sluggish oxygen evolution reaction (OER) at the anode. Thus, developing and designing efficient OER catalysts is a significant target. NiFe‐based catalysts are extensively researched as excellent OER electrocatalysts due to their affordability, abundant reserves, and intrinsic activities. However, they still suffer from long‐term stability challenges. To date, few systematic strategies for improving OER durability have been reported. In this review, various advanced NiFe‐based catalysts are introduced. Moreover, the OER stability challenges of NiFe‐based electrocatalysts in alkaline media, including iron segregation, structural degradation, and peeling from the substrate are summarized. More importantly, strategies to enhance OER stability are highlighted and opportunities are discussed to facilitate future stability studies for alkaline water electrolysis. This review presents a design strategy for NiFe‐based electrocatalysts and anion exchange membrane (AEM) electrolyzers to overcome stability challenges in OER, which also emphasizes the importance of long‐term stability in alkaline media and its significance for achieving large‐scale commercialization.
Autocombustion Route Derived Zinc Ferrite Nanoparticles as Chemiresistive Sensor for Detection of Alcohol Vapors
Authors: Bhagat B. , Gupta Santosh K. , Mandal D. , Bandyopadhyay R. , Mukherjee K. 
Published: February 2024

AbstractProlonged exposure to alcohol vapors can have detrimental effects on human health, potentially leading to eye irritation, dizziness, and in some cases, damage to the nervous system. The present article aims to provide a comprehensive understanding on the synthesis and characterization of zinc ferrite (ZnFe2O4) nanoparticles, as well as their interactions with a range of alcohol vapors, including methanol, ethanol, n‐propanol, and isopropanol. These alcohols differ in their molecular weight, boiling points, diffusivity, and other properties. The study reveals the semiconducting ZnFe2O4 nanoparticulate sensor‘s capability for reversible, repeatable, and sensitive detection of alcohol vapors. The sensor exhibits the highest response to ethanol within operating temperature range (225–300 °C). An attempt is made to establish a correlation between the properties of the target analytes and the observed sensing signals. Additionally, the response conductance transients of ZnFe2O4 under the exposure to the studied alcohol vapors are modeled based on the Langmuir‐Hinshelwood adsorption mechanism. The characteristic time constants obtained from this modeling are justified with respect to the properties of the analytes.
Theoretical Investigation of the Adsorbate and Potential‐Induced Stability of Cu Facets During Electrochemical CO2 and CO Reduction
Authors: Yu Henry , Govindarajan Nitish , Weitzner Stephen E. , Serra‐Maia Rui F. , Akhade Sneha A. , Varley Joel B. 
Published: February 2024

AbstractThe activity and product selectivity of electrocatalysts for reactions like the carbon dioxide reduction reaction (CO2RR) are intimately dependent on the catalyst's structure and composition. While engineering catalytic surfaces can improve performance, discovering the key sets of rational design principles remains challenging due to limitations in modeling catalyst stability under operating conditions. Herein, we perform first‐principles density functional calculations adopting implicit solvation methods with potential control to study the influence of adsorbates and applied potential on the stability of different facets of model Cu electrocatalysts. Using coverage dependencies extracted from microkinetic models, we describe an approach for calculating potential and adsorbate‐dependent contributions to surface energies under reaction conditions, where Wulff constructions are used to understand the morphological evolution of Cu electrocatalysts under CO2RR conditions. We identify that CO*, a key reaction intermediate, exhibits higher kinetically and thermodynamically accessible coverages on (100) relative to (111) facets, which can translate into an increased relative stabilization of the (100) facet during CO2RR. Our results support the known tendency for increased (111) faceting of Cu nanoparticles under more reducing conditions and that the relative increase in (100) faceting observed under CO2RR conditions is likely attributed to differences in CO* coverage between these facets.
Genetically Encoded Lysine Analogues with Differential Light Sensitivity for Activation of Protein Function
Authors: Wesalo Joshua S. , Liu Qingyang , Luo Ji , Shade Olivia , Deiters Alexander 
Published: February 2024

AbstractGenetically encoded unnatural amino acids are versatile tools for controlling protein function, but options for regulating multiple proteins in a single experiment are limited. Here, we report the genetic encoding of two new photocaged lysine derivatives, 1‐(2‐nitrophenyl)‐ethyl lysine and nitrodibenzylfuranyl lysine, for sequential light‐activation of protein function in live cells. Nitrodibenzylfuranyl (NDBF) caging groups have a redshifted absorbance maximum and high sensitivity to light compared to the 1‐(2‐nitrophenyl)‐ethyl group (NPE), enabling selective decaging and protein activation. We characterized the responses of these new caged amino acids by optically triggering nuclear localization and firefly luciferase activity. The ability to selectively activate distinct proteins through simple light titration makes this a useful approach with broad applications.
Envirotyping can increase genomic prediction accuracy of new environments in grain sorghum trials depending on mega‐environment
Authors: Winans Noah D. , Fonseca Jales M. O. , Perumal Ramasamy , Klein Patricia E. , Klein Robert R. , Rooney William L. 
Published: February 2024

AbstractGrain sorghum [Sorghum bicolor (L.) Moench] is an important crop native to Africa and grown in many subtropical and temperate regions worldwide. The variability in production environments underscores the plasticity of sorghum genotypes and provides an opportunity to predict sorghum hybrid performance in novel environments. Reaction norms informed by envirotype data can aid in modeling the differential responses of genotypes across multi‐environment trials and ultimately increase the prediction accuracies of hybrid performance. In this study, a combination of genomic and enviromic information was applied to predict grain sorghum hybrid performance across United States sorghum production environments. Seven models based on additive, dominance, environment, and envirotype effects in two forms, and their interactions were tested under three cross‐validation schemes that simulate genomic prediction scenarios encountered by breeding programs. Relationship matrices for hybrids and environments were created from molecular and envirotypic data, respectively, to predict hybrid performance under a hierarchal Bayesian framework. When predicting unobserved environments, the envirotypic reaction norm model based on typologies produced the highest prediction accuracies for every temperate environment, but results vary in the subtropical environments, which has not been demonstrated in prior enviromic research. This study also demonstrated for the first time that envirotype data can effectively define established United States sorghum production regions and may assist breeders in resource allocation. Results support using sparse hybrid trials when breeding programs apply genomic predictions. Therefore, envirotype‐assisted genomic prediction models can expand the information available to a sorghum breeding program and aid breeders in efficiently designing hybrid trials.
Advances in the Stability of Catalysts for Electroreduction of CO2 to Formic Acid
Authors: Song Dewen , Zhang Shipeng , Zhou Minjun , Wang Mingwang , Zhu Ruirui , Ning Hui , Wu Mingbo 
Published: February 2024

AbstractThe electroreduction of CO2 to high‐value products is a promising approach for achieving carbon neutrality. Among these products, formic acid stands out as having the most potential for industrialization due to its optimal economic value in terms of consumption and output. In recent years, the Faraday efficiency of formic acid from CO2 electroreduction has reached 90~100 %. However, this high selectivity cannot be maintained for extended periods under high currents to meet industrial requirements. This paper reviews excellent work from the perspective of catalyst stability, summarizing and discussing the performance of typical catalysts. Strategies for preparing stable and highly active catalysts are also briefly described. This review may offer a useful data reference and valuable guidance for the future design of long‐stability catalysts.
Co(O)4(N)‐type single‐atom‐based catalysts and ligand‐driven modulation of electrocatalytic properties for reducing oxygen molecules
Authors: Shin Yunseok , Lee Yeunhee , Jo Changbum , Kim Yong‐Hyun , Park Sungjin 
Published: February 2024

AbstractSingle‐atom‐based catalysts are intriguing electrocatalytic platforms that combine the advantages of molecular catalysts and conductive carbon‐based materials. In this work, hybrids (Co‐NrGO‐1 and Co‐NrGO‐2) were generated by wet‐reactions between organometallic complexes (Co(CH3COO)2 and Co[CH3(CH2)3CH(C2H5)COO]2, respectively) and N‐doped reduced graphene oxide at 25°C. Various characterizations revealed the formation of atomically dispersed Co(O)4(N) species in Co‐NrGO‐2. Density functional theory (DFT) calculations explained the effect of the aliphatic C7 group in Co2 on the formation processes. The Co‐NrGO‐2 hybrid showed excellent catalytic performance, such as onset (0.94 V) and half‐wave (0.83 V) potentials, for electrochemical oxygen reduction reaction (ORR). Co‐NrGO‐2 outperformed Co‐NrGO‐1, which was explained by more back donation to the antibonding orbitals of O2 from electron‐rich aliphatic groups. DFT calculations support this feature, with mechanistic investigations showing favored ORR reactions and facile breakage of double bonds in O2.
Mating strategies of Vitex negundo L. var. heterophylla (Franch.) Rehder (Lamiaceae): A mixed mating system with inbreeding depression
Authors: Zhang Qing , Zhang Jilin , Sun Xiaohan , Wang Feng , Wang Renqing , Wang Hui , Zheng Peiming 
Published: February 2024

AbstractPlant reproductive ecology is one of the research hotspots in ecology. With the increasing attention paid to the conservation of plant diversity, the research on reproductive characteristics and flowering biological characteristics of more species has attracted more attention. However, plant reproduction is affected by multiple interacting factors such as pollen limitation and resource availability. Vitex negundo var. heterophylla (Franch.) Rehder (Lamiaceae) is a significant species for water and soil conservation. Previous studies have revealed its mating system by the biological characteristics of flowering and SSR markers, but its reproductive strategies remain to be further studied. We evaluated reproductive success through artificial pollination to explore the reproductive characteristics of V. negundo var. heterophylla for the first time. From the results of fruit set, there is a mixed mating system dominated by outcrossing in V. negundo var. heterophylla accompanied by self‐compatibility, and it cannot carry out autonomous selfing. Our data show the pollinator‐mediated interaction in the success of reproduction, whereas the effect of anemophily is very weak. And the seed germination rate of inbred line progenies was lower than that of hybrid progenies, which is suspected to be caused by inbreeding depression. The research will provide scientific information for the protection and conservation of V. negundo var. heterophylla from the point of view of reproduction. In sum, the results are necessary to protect animal vectors in the background of insect decline.
Development of a virtual reality system that generates prism adaptation for multiple motor units
Authors: Ishida Takashi , Higa Hiroki 
Published: February 2024

AbstractConventionally, the adaptive body area for prism adaptation (PA) has been limited to the visible area of prism glasses, especially the unilateral upper limbs. In this study, we developed a virtual reality system that extends PA's adaptive body area. This system sets the visible area of the target and introduces a symbolic representation of the body position to realize a head position adaptation task. As a result, the develped system generates PA not to individual body parts but to a collection of multiple motor units. Furthermore, experimental results in healthy subjects showed that the head position adaptation task could generate PA in the upper trunk system (The upper trunk system is defined as a system consisting of the upper trunk, head, and upper extremities) and displace it to the left anteriorly. Therefore, the head position adaptation task is expected to be effective for the postural correction of USN patients with upper trunk system tilt to the right posteriorly. Moreover, the developed system has potential applications in a wide range of fields, such as detecting cerebellar disorders.
What are the consequences of over and undertreatment of type 2 diabetes mellitus in a frail population? A systematic review
Authors: O'Neil Helen , Todd Adam , Pearce Mark , Husband Andrew 
Published: February 2024

AbstractAimsThis review aims to identify the evidence base for the consequences of over and undertreatment of type 2 diabetes mellitus in a frail population.MethodIn this systematic review, we searched MEDLINE, Embase, PubMed, CINAHL and the Cochrane Library for studies from January 2001 to 15th August 2022. We included a variety of study types that assessed and reported frailty including patients ≥18 years old. Studies included those that reported the prevalence of over or undertreatment of diabetes mellitus in a frail population and those examining outcomes related to glucose control in frail older people living with diabetes. Data were extracted using a bespoke extraction table using a narrative synthesis approach.ResultsA total of 4114 articles were identified with 112 meeting inclusion criteria. These included 15,130 participants across the 11 studies with sample sizes ranging from 101 to 11,140. Several areas were identified in the included studies where under or overtreatment of diabetes impacted outcomes for patients. These included hospital admissions, readmissions, length of stay, falls, mortality, cognitive impairment and cardiovascular disease outcomes.ConclusionThe results showed that there was a high heterogeneity of outcomes between the studies and that many examined small numbers of participants. In this review, both over and undertreatment were shown to increase adverse outcomes in frail older people. Further research around optimal glycaemic control for frail older people living with diabetes is required with the aim to identify ideal target ranges and produce practical clinical guidelines to promote attainment of these.
A single‐source switched‐capacitor‐based 25‐level sextuple boost inverter with a low switch count
Authors: Noori Meysam , Hosseinpour Majid , Seifi Ali , Shahparasti Mahdi 
Published: February 2024

AbstractToday, multilevel inverters are widely utilized in various applications. Reducing the number of components in the design of these converters is one of the crucial goals so that they have less volume and cost. This paper presents a single‐source structure for a multilevel switched‐capacitor inverter with voltage boost capability. The proposed structure can generate 25 sinusoidal‐like step voltage levels with a six times amplitude increase compared to the input. This converter uses only one direct current (DC) power source, 14 switches, and four capacitors. The nearest level control switching method has been used to control the converter, create voltage levels, and select the switching modes. A comprehensive comparison has been made with other recently presented structures to demonstrate the efficiency of the proposed structure. The advantages of the proposed structure include using only one DC voltage source, the ability to increase the output voltage six times compared to the input, the use of fewer power electronics components compared to the number of voltage levels, proper efficiency, self‐balancing of capacitors, and as a result, the lower cost. The performance accuracy of the proposed converter has been simulated in the MATLAB Simulink environment and then evaluated by a laboratory prototype.
Fuel injection performance and spray characteristic of high‐pressure common rail systems at low temperatures
Authors: Ma Fukang , Xu Ruifan , Liu Xiaoyu 
Published: February 2024

AbstractThe fuel injection performance and spray characteristics of the high‐pressure common rail (HPCR) system at low temperatures are investigated with experiment. The effects of environmental temperature, common rail pressure, and fuel injection pulse width on the injection quantity and spray characteristics are discussed. The fuel injection quantity at −30°C decreases by about 10% compared to the target fuel quantity. For the different target fuel quantity, the decrease of fuel injection quantity with temperature is the same under different rail pressures. The impact of temperature change on fuel injection quantity is relatively greater when the fuel injection pulse width is small. At the same common rail pressure and injector control pulse width, the injection quantity of −35# diesel is greater than that of −10# diesel for the same temperature condition. The low‐temperature fluidity can ensure normal diesel supply and injection in the fuel supply system. When the viscosity of diesel fuel rises and fluidity deteriorates in a low‐temperature environment, the spray beam produced by the same spray pressure becomes difficult to spread, and the spray penetration distance and cone angle decrease. The spray penetration distance differs by about 2.2 mm between the two temperatures. At low temperatures, the viscosity of diesel fuel rises and the fluidity deteriorates. The minimum injection pressure of the spray increases, and the spray angle is relatively small.