bluuebunny/crossref_metadata_2025_split huggingface dataset:
Obtaining highly stable Td‐Co(II) site by coupling hydrothermal method and CO2 introduction for propane dehydrogenation
Authors: Deng Huihui , Sun Qin , Zheng Wenchun , Li Baozhen , Zhuo Zuoxi , Wang Xiaofang , Zhang Ying , Tan Li , Tang Yu , Wu Lizhi 
Published: February 2024

AbstractThe preparation of Co‐based catalysts with a single, highly dispersed active site is challenging and crucial for the high‐performance propane dehydrogenation (PDH) owing to harsh reaction conditions. Herein, the synergetic strategies including catalyst hydrothermal treatment and CO2 introduction are adopted to realize the highly dispersed and stable Td‐Co(II) site and applied for PDH. According to systematic characterizations and catalytic performance evaluation, the facial hydrothermal treatment improves the C3H6 formation rate from 456 to 771 mmol C3H6 gCo−1 h−1 and catalyst stability via the transformation of Co3O4 species to the Td‐Co(II) species. Meanwhile, the further introduction of CO2 into the PDH system as a protective reagent for Co state would facilitate PDH with superior catalytic performance with TOF of 700 h−1 and C3H6 formation rate of 970 mmol C3H6 gCo−1 h−1. It is revealed that the introduction of CO2 maintains Co state with the Td‐Co(II) species via inhabiting the generation of metallic Co spices.
An ATP “Synthase” Derived from a Single Structural Domain of Bacterial Histidine Kinase
Authors: Ji Shixia , Zhou Yuan , Chen Jiawen , Yang Minghui , Li Conggang , Liu Maili , Liu Yixiang , Jiang Ling 
Published: February 2024

AbstractATP (adenosine triphosphate) is a vital energy source for living organisms, and its biosynthesis and precise concentration regulation often depend on macromolecular machinery composed of protein complexes or complicated multidomain proteins. We have identified a single‐domain protein HK853CA derived from bacterial histidine kinases (HK) that can catalyze ATP synthesis efficiently. Here, we explored the reaction mechanism and multiple factors that influence this catalysis through a combination of experimental techniques and molecular simulations. Moreover, we optimized its enzymatic activity and applied it as an ATP replenishment machinery to other ATP‐dependent systems. Our results broaden the understanding of ATP biosynthesis and show that the single CA domain can be applied as a new biomolecular catalyst used for ATP supply.
First‐principles study on the surface properties and floatability of magnesite tailings and its main gangue
Authors: Xue Zhonghua , Feng Yali , Li Haoran , Yang Jun , Liu Mengyao , Cui Yufeng 
Published: February 2024

AbstractThe accumulation of magnesite tailings (MT) poses challenges such as resource wastage, land occupation, dust generation, and environmental pollution, thereby jeopardizing both physical and mental health. Urgent attention is required for the proper treatment of this solid waste material. An in‐depth investigation into enhancing the flotation processes of MT is essential. A comprehensive comprehension of the surface properties of MT and its principal gangue minerals assumes paramount importance in facilitating the desilication and decalcification of MT via flotation. In this investigation, a first‐principles study grounded in density functional theory was employed to scrutinize the surface properties, as well as the similarities and differences in flotability, of four minerals‐quartz, magnesite, dolomite, and calcite. The findings reveal that quartz's primary cleavage plane is (1 0 1), whereas that of magnesite, dolomite, and calcite is (1 0 4). The surfaces of magnesite, dolomite, and calcite exhibit chemical similarities, with Ca atoms demonstrating higher reactivity than Mg atoms. The hydrogen bonding between dodecylamine and quartz emerges as the most robust, while adsorption energies with the three carbonate minerals exhibit minimal disparity. The ongoing focus lies on the selection and optimization tests of decalcification reagents. A moderate quantity of dodecylamine manifests a certain desilication effect. However, excessive dosage compromises selectivity. The first‐principles approach offers guiding significance for elucidating the surface properties of MT and its primary vein minerals, along with investigating the adsorption mechanisms of flotation regents.
Regulation of regulatory T cells and tumor‐associated macrophages in gastric cancer tumor microenvironment
Authors: Shaopeng Zhang , Yang Zheng , Yuan Fang , Chen Huang , Zhengjun Qiu 
Published: February 2024

AbstractIntroductionDespite advancements in the methods for prevention and early diagnosis of gastric cancer (GC), GC continues to be the fifth in incidence among major cancers and the third most common cause of cancer‐related death. The therapeutic effects of surgery and drug treatment are still unsatisfied and show notable differences according to the tumor microenvironment (TME) of GC.MethodsThrough screening Pubmed, Embase, and Web of Science, we identified and summarized the content of recent studies that focus on the investigation of Helicobacter pylori (Hp) infection, regulatory T cells (Tregs), and tumor‐associated macrophages (TAMs) in the TME of GC. Furthermore, we searched and outlined the clinical research progress of various targeted drugs in GC treatment including CTLA‐4, PD‐1\PD‐L1, and VEGF/VEGFR.ResultsIn this review, the findings indicate that Hp infection causes local inflammation and leads to immunosuppressive environment. High Tregs infiltration in the TME of GC is associated with increased induction and recruitment; the exact function of infiltrated Tregs in GC was also affected by phenotypes and immunosuppressive molecules. TAMs promote the development and metastasis of tumors, the induction, recruitment, and function of TAMs in the TME of gastric cancer are also regulated by various factors.ConclusionDiscussing the distinct tumor immune microenvironment (TIME) of GC can deepen our understanding on the mechanism of cancer immune evasion, invasion, and metastasis, help us to reduce the incidence of GC, and guide the innovation of new therapeutic targets for GC eventually.
Implementing systematic melanoma risk assessment and risk‐tailored surveillance in a skin cancer focussed dermatology clinic: A qualitative study of feasibility and acceptability to patients and clinic staff
Authors: Smith A. L. , Smit A. K. , Laginha B. I. , Singh N. , Gallo B. , Martin L. , Cust A. E. 
Published: February 2024

AbstractBackgroundInternational bodies recommend that melanoma risk assessment should be integrated into skin cancer care provision, but evidence to support implementation is lacking.AimTo explore the acceptability and feasibility of implementing personalised melanoma risk assessment and tailored patient education and skin surveillance within routine clinical care.MethodsThis prospective qualitative implementation study was informed by the Theoretical Framework of Acceptability (TFA). Personalised, systematic melanoma risk assessment was implemented in the dermatology clinic at the Melanoma Institute Australia, Sydney, Australia February–May 2021. Pre‐ and post‐implementation observations and semi‐structured interviews with patients and staff were conducted (September 2020–March 2021). Observational notes and interview transcript data were analysed thematically using the TFA as a classifying framework.ResultsA total of 37 h of observations were made, and 29 patients and 12 clinic staff were interviewed. We found that the delivery of personalised melanoma risk estimates did not impact on patient flow through the clinic. Dermatologists reported that the personalised risk information enhanced their confidence in assessing patient risk and recommending tailored surveillance schedules. Most patients reported that the risk assessment and tailored information were a beneficial addition to their care. Among patients whose risk deviated from their expectations, some reported feeling worried, confused or mistrust in the risk information, including those at lower risk who were recommended to decrease surveillance frequency.ConclusionsIt is feasible and acceptable to patients and clinic staff to calculate and deliver personalised melanoma risk information and tailored surveillance as part of routine clinical care within dermatology clinics.
Highly Stable Carbon‐Shell Encapsulated Ni−Cu Bimetallic Catalysts for Efficient Conversion of Levulinic Acid to γ‐Valerolactone
Authors: Yin Anping , Cai Yuhang , Yang Yibo , Qin Gaolei , Zhou Ziyu , Sun Xiaodong , Wan Hongliu , Cao Zhi 
Published: February 2024

AbstractNon‐noble Ni−Cu alloys serve as an alternative catalytic material for noble metal‐based catalysts that could be applied in the efficient conversion of levulinic acid (LA) into the high value γ‐valerolactone (GVL). However, maintaining the catalytic stability for Ni−Cu nanoparticles in the LA hydrogenation process remains a substantial challenge, Herein, this problem is solved by constructing carbon‐protected catalytic sites within carbon layer‐coated Ni−Cu nanoalloy composite via pyrolysis of NiCux(OH)/glucose precursor. The optimized NiCu0.68@C catalyst exhibits excellent stability and selectivity to GVL (>99 %) in the hydrogenation of LA reaction. Various characterization indicates that the enhancement in stability originates from the protective effect of the carbon layer, which prevents the metal leaching, oxidation and aggregation of Ni−Cu nanoparticles during the reaction process. This work greatly advances non‐noble metal‐catalyzed conversion of LA to GVL and helps the rational design of bimetallic catalysts.
A Bio‐Inspired Bimetallic Fe−M Catalyst for Electro‐ and Photochemical CO2 Reduction
Authors: Yao Yuhang , Wu Jia‐Hui , Liu Guiyu , Zhang Ruijing , Yang Zi‐Shu , Gao Song , Lau Tai‐Chu , Zhang Jun‐Long 
Published: February 2024

AbstractThe conversion of CO2 into fuels or commodity chemicals by electrochemical or photochemical reduction is a promising strategy to relieve the ongoing energy crisis and increasing environmental pollution. Inspired by naturally occurring bimetalloenzymes, we have designed hetero–bimetallic CO2 reduction catalysts (FeM) that involve linking an iron tetraphenylporphyrin (FeP) with a tripyridylamine (TPA) moiety, which provides a distal chelating site for Cu2+ or Zn2+. We found that the introduction of Cu2+ or Zn2+ to FeP greatly enhances its efficiency as a catalyst for the electrochemical reduction of CO2. To gain insights into the observed synergistic effect, we performed mechanistic studies together with density functional theory (DFT) calculations. Our results show that Cu2+ or Zn2+ activates CO2 towards reduction due to its Lewis acidity; it also functions as an oxo acceptor from CO2. FeM also functions as an efficient catalyst for the visible‐light‐driven reduction of CO2 using either [Ru(bpy)3] Cl2 or fac‐Ir(ppy)3 (where bpy=2,2’‐bipyridine, ppy=2‐phenylpyridine) as photosensitizer and 1,3‐dimethyl‐2‐phenyl‐2,3‐dihydro‐1H‐benzo[d] imidazole (BIH) as sacrificial reductant. Again, the catalytic efficiency is enhanced by the presence of Cu2+ or Zn2+. Our results provide a general strategy for the design of a series of hetero‐bimetallic catalysts for the reduction of CO2.
Fuzzy‐set qualitative comparative analysis (fsQCA) for validating causal relationships in system dynamics models
Authors: Shalahuddin Muhammad , Sunindyo Wikan Danar , Effendi Mohammad Ridwan , Surendro Kridanto 
Published: February 2024

AbstractModelers often create diverse system dynamics models for the same issue, depending on their viewpoints, which can decrease stakeholder assurance. Validating system dynamics may enhance stakeholder confidence. This study suggests using fuzzy‐set qualitative comparative analysis (fsQCA) as a technique based on a set theory approach to validate the causal connections between entities in causal loop diagram (CLD) models. This case study analyzed the issue of Indonesian mobile network operators with limited sample data, utilizing the fsQCA method to test causal connections between entities in the CLD model that require validation. Following the creation of the CLD model through the system dynamics methodology, fsQCA was employed to enhance the previously formed model. The fsQCA method fuses qualitative comparative analysis (QCA) with fuzzy set theory, permitting partial membership, and can identify causal links among entities in the CLD model. It assists in testing causal relationships using limited sample data and boosts stakeholder confidence in the CLD model.
An elitist whale optimization algorithm with the nonlinear parameter: Algorithm and application
Authors: Zhang Yajing , Zhang Guoxu 
Published: February 2024

AbstractTo address the problem that the whale optimization algorithm tends to fall into the local optimum and fails to maintain a balance between exploration and exploitation, an elitist whale optimization algorithm with the nonlinear parameter (EWOANP) is proposed in this paper. An elitist strategy based on the random Cauchy mutation is used in the shrinking encircling mechanism to increase the chance of escaping the local optimum. Cleverly, the strategy is to generate mutation solutions based on the random Cauchy mutation, after which the better population is selected to proceed to the next iteration. Then, a nonlinear parameter is used in the logarithmic spiral mechanism to balance exploration and exploitation. Various numerical optimization experiments are performed based on the IEEE CEC2020 benchmark suite and compared with eleven other algorithms. The results show that EWOANP outperforms most competitors in numerical optimization. Finally, the backpropagation neural network is optimized by EWOANP to build a prediction model for the sulfur content in the molten iron. The experimental results based on production data indicate that the proposed prediction model has a relatively small fluctuation in errors. Compared to the other seven competitors, the proposed model has a better prediction performance with and =0.916619.
Analysis of an earth‐to‐air heat exchanger for enhanced residential thermal comfort
Authors: Dewangan Chandraprakash , Shukla Anuj Kumar , Salhotra Rahul , Dewan Anupam 
Published: February 2024

AbstractIt is well known that a massive demand for thermal comfort has resulted in a sharp rise in energy use for residential space heating and cooling. This article presents numerical simulations of a room coupled with an earth‐to‐air heat exchanger system operating at the climatic condition of 21.2497° N, 81.6050° E for both summer and winter seasons. The present study involves an estimate of monthly variations in soil temperature at different depths and a suitable geometrical arrangement of pipe is proposed. The thermal performance of the earth‐to‐air heat exchanger system in terms of the outlet air temperature and effectiveness has been calculated. It is shown that with an effectiveness of 0.77 in summer and 0.78 in winter, the present EAHE system reduces the ambient air temperature from 38 to 28.2°C in the summer and it rises from 13 to 22.9°C in winter, respectively. Finally, an improvement in the thermal comfort condition of the room exposed to the solar radiation has been examined at different time intervals and different heights of the room. During the summer the room temperature dropped by 4.2°C while in winter it rose by 5.2°C. Furthermore, the environmental effects of system have been evaluated, showing energy savings of 3.90 kWh/day during summer and 4.83 kWh/day during winter leading to a decrease in CO2 emissions of 6.13 kg/day in summer and 7.59 kg/day in winter.
Mining stress formation and distribution: Predictive model based on overburden key strata structure
Authors: Han Hongkai , Hu Zhengquan , Liu Yanwei , Zuo Weiqin , Wang Xiaozhen , Shi Can , He Yanyan , Qi Yuchun 
Published: February 2024

AbstractIn coal mines, the effective extraction of relief gas and the prevention of dynamic disasters depend on accurate predictions of the spatial distribution of mining stress in the overlying rock. However, at present, the prediction of stress relief and concentration zones based on operational experience or empirical modeling differs significantly from actual measurements in the field. The fundamental problem is the difficulty in modeling the transfer mechanism of the mining overburden load under the influence of key strata. In this study, a mechanical model of the spatial distribution of the mining stress field based on the structure of overburden key strata was established. The model demonstrates that the key strata are the main bearing bodies of the overlying rock, both before and after the fracture, and the overburden rock load can be transferred to the coal and rock mass around the stope through the key strata in the fracture and bending subsidence zones, thus forming a mining stress field. Equations for calculating the plane distributions of mining stress under the key strata at different horizons and abutment pressures on the stope were established, and a spatial distribution prediction method for the mining stress field based on the overburden key strata structure was proposed. The study area was the Gaojiapu Coal Mine, where it was found that the key stratum of the 400.45 m thick Luohe Formation sandstone bore most of the overlying rock load and transferred the load to the coal and rock mass around the stope. This load distribution is the root cause of a high concentration and wide influence range of mining stresses, leading to serious deformation of the main roadway and frequent dynamic disasters. The mining stress concentration was maximized at a mining length of 1458 m × 1458 m.
Biogeomorphological niche of a landform: Machine learning approaches reveal controls on the geographical distribution of Nitraria tangutorum nebkhas
Authors: Zhang Haochen , Li Shihan , Mason Joseph A. , Yizhaq Hezi , Gui Dongwei , Xu Zhiwei 
Published: February 2024

AbstractNebkhas are distinctive biogeomorphological landforms prevalent in global drylands and coastal environments. They play a crucial role in supporting local biodiversity and preventing land desertification and often serve as an indicator of local environmental change. Despite their significance, the environmental factors that affect their geographical distribution and how they respond to climate change have not been fully explored. This study represents a novel application of machine learning models to quantifying the biogeomorphological niche of Nitraria nebkhas in northern China and simulating their geographical distribution under future climate change conditions. Findings underscore that climatic variables influence the growth of formative shrub species on nebkhas, whereas climate, soil and geomorphological conditions, along with their spatial configuration, determine the probability of nebkha occurrence. Predictions under medium and high greenhouse gas emission scenarios indicate a northward shift in the potential distribution of nebkhas in northern China by the end of the century, accompanied by a decrease in the south due to rising temperatures. Given the potential impact of nebkha field degradation on biodiversity and soil hydrological conditions, adaptive land use strategies should be designed to protect nebkhas and mitigate the impact of climate change. Our study not only provides valuable insights for informing policy‐making and conservation initiatives but also serves as an example for quantifying the niche of biogeomorphological landforms and simulating their dynamics by integrating machine learning approaches into empirical geomorphological studies.
Recurring food source‐based Listeria outbreaks in the United States: An unsolved puzzle of concern?
Authors: Mohapatra Ranjan K. , Mishra Snehasish , Tuglo Lawrence Sena , Sarangi Ashish K. , Kandi Venkataramana , AL Ibrahim Amani Ahmed , Alsaif Hussain A. , Rabaan Ali A. , Zahan Md. Kudrat‐E 
Published: February 2024

AbstractRecurring Listeria outbreaks in the United States is a growing public healthcare concern. Although no associated reported death, 17 were hospitalized out of the 18 reported illnesses in the recent outbreak in 15 US states. The United States has experienced about 30 Listeria outbreaks in the last decade with 524 Listeriosis cases and 80 deaths. The identified origin were ice cream, leafy greens, mushroom, meat slice, dairy products like cheese, packaged salads, cooked chicken, hard‐boiled egg, pork product, frozen vegetable, raw milk, packaged caramel apple, bean sprout and soya products. Although rare, Listeria may lead to serious illness (invasive listeriosis) or death. Listeriosis is critically harmful and medically complicated, especially in the pregnant, the old above 65 years and in the immunocompromised. It could cause premature birth, miscarriage or even neonatal death. Hospitalization is often necessary in the geriatric, being fatal at times. Among Listeria sp., Listeria monocytogenes is often human infection‐associated. It is a gram‐positive, non‐sporulating, motile bacillus opportunistic pathogen. Food‐borne listeriosis is often associated with frozen foods due to its ability to thrive at low temperatures. Hypervirulent strains of L. monocytogenes with an ability to infect the respiratory system (the lungs) was recently reported in the coronavirus disease‐19 patients during the pandemic. L. monocytogenes seemed to have developed antimicrobial resistance to ciprofloxacin and meropenem, possibly acquired through the food chain. An early onset of listeriosis in the newborn is evident in the first 7 days postparturition. As the bacteria colonize the genitourinary tract, majority of such cases result from teratogenic transfer during vaginal delivery. Premature newborns, neonates born outside healthcare facilities and low‐birth‐weight babies were increasingly predisposed to an early onset of listeriosis. Listeria outbreaks were earlier reported in South Africa, Australia and Europe, with an unclear origin of the outbreaks. Social media updates about such outbreaks, the most likely food source, and measures to self‐protect are suggested as preventive measures. The article deals on various such aspects related to listeriosis primarily originating from food, to ensure better public healthcare and human wellness.