bluuebunny/crossref_metadata_2025_split huggingface dataset:
Counting d‐Orbital Vacancies of Transition‐Metal Catalysts for the Sulfur Reduction Reaction
Authors: Sun Yafei , Wang Jingyi , Shang Tongxin , Li Zejian , Li Kanghui , Wang Xianwei , Luo Huarui , Lv Wei , Jiang Lilong , Wan Ying 
Published: October 2023

AbstractThe electrocatalytic sulfur reduction reaction (SRR) would allow the production of renewable high‐capacity rechargeable lithium‐sulfur (Li‐S) batteries using sustainable and nontoxic elemental sulfur as a cathode material, but its slow reaction rate causes a serious shuttle effect and dramatically reduces the capacity. We found that a catalyst composed of Pd nanoparticles supported by ordered mesoporous carbon (Pd/OMC) had a high reaction rate in the SRR, and a Li‐S battery assembled with this catalyst had a low shuttle constant of 0.031 h−1 and a high‐rate performance with a specific capacity of 1527 mAh g−1 at 0.1 C which is close to the theoretical value. The high activity of Pd/OMC with a d‐orbital vacancy of 0.87 e was predicted from a volcano relationship between the d charge for the metal and the adsorption activation entropy and reaction rate for the SRR by examining Pd, Au, Pt, Rh, and Ru transition‐metal nanocatalysts. The strategy of using a single electronic structure descriptor to design high‐efficiency SRR catalysts has suggested a way to produce practical Li‐S batteries.
Bioactive Luminescent Silver Clusters Confined in Zeolites Enable Quick and Wash‐Free Biosensing
Authors: García‐Guzmán Cecilia , Morales‐Narváez Eden , Coutino‐Gonzalez Eduardo 
Published: October 2023

AbstractThe simultaneous capture and detection of biomolecules is crucial for revolutionizing bioanalytical platforms in terms of portability, response time and cost‐efficiency. Herein, we demonstrate how the sensitivity to external stimuli and changes in the local electronic environment of silver clusters lead to an advantageous biosensing platform based on the fluorometric response of bioactive luminescent silver clusters (BioLuSiC) confined in faujasite X zeolites functionalized with antibodies. The photoluminescence response of BioLuSiC was enhanced upon immunocomplex formation, empowering a wash‐free and quick biodetection system offering optimal results from 5 min. Proteins and pathogens (immunoglobulin G and Escherichia coli) were targeted to demonstrate the biosensing performance of BioLuSiC, and a human serum titration assay was also established. BioLuSiC will pave the way for innovative bioanalytical platforms, including real‐time monitoring systems, point‐of‐care devices and bioimaging techniques.
Single‐Crystal Transformation Engineering the Spin Change of Metal–Organic Frameworks via Cluster Deconstruction
Authors: Yang Guang , Wu Si‐Guo , Ruan Ze‐Yu , Chen Yan‐Cong , Xie Kai‐Ping , Ni Zhao‐Ping , Tong Ming‐Liang 
Published: October 2023

AbstractSpin crossover (SCO) materials with new architectures will expand and enrich the research in the SCO field. Here, we report two metal–organic frameworks (MOFs) containing tetradentate organic ligands and hexatopic linkers [Ag8X8(CN)6]6− (X=Br and I), which represents the first SCO MOF with clusters as building blocks. The silver halide cluster can be further removed after reacting with lithium tetracyanoquinodimethan (LiTCNQ). Such post‐synthetic modification (PSM) is realized via single‐crystal to single‐crystal (SCSC) transformation from urk to nbo topology. Accordingly, the spin state and fluorescence properties are greatly modified by cluster deconstruction. Therefore, these achievements will provide new ideas for the design of new SCO systems and the development of PSM methods.
Unlocking the Chain‐Walking Process in Gold Catalysis**
Authors: Bhoyare Vivek W. , Tathe Akash G. , Gandon Vincent , Patil Nitin T. 
Published: October 2023

AbstractThe successful realization of gold‐catalyzed chain‐walking reactions, facilitated by ligand‐enabled Au(I)/Au(III) redox catalysis, has been reported for the first time. This breakthrough has led to the development of gold‐catalyzed annulation reaction of alkenes with iodoarenes by leveraging the interplay of chain‐walking and π‐activation reactivity mode. The reaction mechanism has been elucidated through comprehensive experimental and computational studies.
The use of low‐density polyethylene‐molybdenum oxide polymer composites as radiation shielding laminates in dental radiology physical structures
Authors: Alyousef Haifa A. , Tijani S. A. , Alsuhybani Mohammed S. , Alotaibi Waad M. , Alotaibi B. M. , Alotiby Mohammed F. 
Published: September 2023

AbstractRadiation protection is crucial in the protection of humans from the harmful effects of ionizing radiation. One of the most reliable ways of reducing the risk of occupationally exposed workers and the public in dental radiology is the installation of an effective radiation shielding barrier at the facility. Concrete barriers are predominantly used for dental shielding, however there is need to consider the use of lighter, ready‐made, and lower half value layer (HVL) materials as shielding materials in dental radiology facilities. In this work, low‐density polyethylene‐molybdenum oxide polymer composites were prepared (85C2H4‐15MoO3, 90C2H4‐10MoO3, and 95C2H4‐5MoO3), and the radiation attenuation measurements were carried out experimentally. The composites displayed acceptable x‐ray absorbing capabilities. 85C2H4‐15MoO3 polymer composite (DT1) showed optimal shielding in comparison with concrete. DT1 has an approximate HVL like concrete while it is 54.3% lighter than concrete. 85C2H4‐15MoO3 polymer composite is 1.5%, 0.8%, and 6.3% higher in linear attenuation coefficient than concrete at 60, 70, and 80 kVps, respectively. This implies that DT1 can effectively replace concrete at dental diagnostic energies.
Dual Role of TiO(acac)2 as a Reagent and an Activator/Catalyst: A Study on the Solvent Dependent Product Formation
Authors: Kumar Chouhan Kishor , Nad Pinaki , Mukherjee Arup 
Published: October 2023

AbstractThe dual operation of a chemical species in synthetic chemistry is an intriguing and relatively unexplored phenomenon. The application of such a species is expected to reduce the use of multiple reaction partners and catalysts/activators. Herein, we report a simple and easy‐to‐use protocol for the twin application of TiO(acac)2, as a reagent and an activator to synthesize β‐enamino ketones with amines in acetonitrile. The same early transition metal precursor when employed in N,N‐dimethylformamide with the amines, resulted in the formation of the substituted amides. Both reactions were explored with various substrates to check the viability of the present protocol. Moreover, experimental studies were conducted to understand the mechanism of both reactions.
Decreasing incidence of hepatocellular carcinoma among most racial groups: SEER‐22, 2000–2019
Authors: O'Brien Thomas R. , Devesa Susan S. , Koshiol Jill , Marrero Jorge A. , Shiels Meredith S. 
Published: September 2023

AbstractBackgroundHepatocellular carcinoma (HCC) incidence was rising in the United States. Previously, using data collected by the Surveillance, Epidemiology, and End Results (SEER) Program through 2017, we found that overall incidence had begun to decline, although not in Black and American Indian/Alaska Native (AI/AN) populations. Utilizing expanded SEER data encompassing ~50% of the population, we examined secular trends and demographic differences in HCC incidence through 2019.MethodsWe included cases of HCC diagnosed in adults aged ≥20 years residing in SEER‐22 registry areas. We examined case counts, incidence rates (per 100,000 person‐years), annual percent changes (APCs), and calendar years when APCs changed significantly.ResultsHCC incidence increased from 5.56 in 2000 to 8.89 in 2009 (APC, 5.17%), then rose more slowly during 2009–2015 (APC, 2.28%). After peaking at 10.03 in 2015, incidence fell to 9.20 in 2019 (APC, −2.26%). In Asian/Pacific Islanders (A/PI), the decline began in 2007 and accelerated in 2015 (APCs: 2007–2015, −1.84%; 2015–2019, −5.80%). In 2014, incidence began to fall in the White (APC: 2014–2019, −1.11%) and Hispanic populations (APC: 2014–2019, −1.72%). In 2016, rates began to fall in Black individuals (APC: 2016–2019, −6.05%). In the AI/AN population, incidence was highest in 2017, although the subsequent decline was not statistically significant. In 2019, population‐specific rates were: White, 6.94; Black, 10.74; A/PI, 12.11; AI/AN, 14.56; Hispanic, 15.48.ConclusionHCC incidence is now decreasing in most US racial/ethnic populations, including among Black individuals. The onset of decline differed among racial/ethnic groups and wide disparities in HCC rates remain.
Minority arguments on integration: Arabs in the Southern European state of Malta
Authors: Buhagiar Luke J. , Sammut Gordon 
Published: October 2023

AbstractIntercultural relations benefit from the social psychological study of arguments made by different groups about joint projects of mutual concern. This focus allows researchers to map representations of the project in question, among communities in different cultural milieus. This paper presents a study looking at Arabs' views on the project of integration. Arabs' perspectives revolved around six argumentative themes: cultural, economic, psychological, religio‐cultural, socio‐political or stigma‐related. After comparing all claims on integration across the communities involved (the Arab minority and the Maltese majority), we describe Arabs' positive, negative and mixed/ambivalent socio‐political claims in detail, complementing a previous study on majority views. This enables a discussion of Arabs' perspectives in view of the semiotic resources relevant to localised intercultural relations. Arabs' argumentative themes clearly reflect three key patterns: (a) social representation of integration as difficult but necessary, (b) minority representation of the majority group as being resistant to integration and (c) de‐essentialism of ingroup and outgroup. These patterns contrast with the majority members' arguments in significant ways. Findings are discussed theoretically in view of how minority arguments re‐present social processes to advance or resist intercultural projects, and substantively in terms of the application of these findings for ameliorating intercultural relations in local communities.
Overcoming Biochemical Limitations of Galactose Oxidase through the Design of a Solid‐Supported Self‐Sufficient Biocatalyst
Authors: Lorente‐Arevalo Alvaro , Orellana Guillermo , Ladero Miguel , Bolivar Juan M. 
Published: October 2023

AbstractGalactose Oxidase (GalOx) has gained significant interest in biocatalysis due to its ability for selective oxidation beyond the natural oxidation of galactose, enabling the production of valuable derivatives. However, the practical application of GalOx has been hindered by the limited availability of active and stable biocatalysts, as well as the inherent biochemical limitations such as oxygen (O2) dependency and the need for activation. In this study, we addressed these challenges by immobilizing GalOx into agarose‐based and Purolite supports to enhance its activity and stability. Additionally, we identified and quantified the oxygen supply limitation into solid catalysts by intraparticle oxygen sensing showing a trade‐off between the amount of protein loaded onto the solid support and the catalytic effectiveness of the immobilized enzyme. Furthermore, we coimmobilized a heme‐containing protein along with the enzyme to function as an activator. To evaluate the practical application of the immobilized GalOx, we conducted the oxidation of galactose in an instrumented aerated reactor. The results showcased the efficient performance of the immobilized enzyme in the 8 h reaction cycle. Notably, the GalOx immobilized into dextran sulfate‐activated agarose exhibited improved stability, overcoming the need for a soluble activator supply, and demonstrated exceptional performance in galactose oxidation. These findings offer promising prospects for the utilization of GalOx in technical biocatalytic applications.
Decreased CXCL14 expression in psoriasis recovered by narrow‐band ultraviolet B therapy
Authors: Nakajima Kaori , Miyagaki Tomomitsu , Tanaka Miho , Komaki Reo , Okano Tatsuro , Takeuchi Sora , Watabe Hidenori , Kadono Takafumi 
Published: September 2023

AbstractBackgroundCXCL14 is a member of CXC chemokine family, constitutively expressed in various normal tissues unlike many other chemokines. Other than the capacity to recruit natural killer cells, macrophages, and dendritic cells, CXCL14 suppresses CXCL12‐CXCR4 interactions by inducing CXCR4 internalization. Thus, CXCL14 can both promote and hinder immune responses. Psoriasis is a chronic skin inflammatory disorder in which various chemokines play an important role.MethodsTo investigate possible roles of CXCL14 in psoriasis, we examined CXCL14 expression in lesional skin by immunohistochemistry and measured serum CXCL14 levels in psoriasis. We also assessed the effect of ultraviolet irradiation, one of the main therapies for psoriasis, on CXCL14 expression by HaCaT cells.ResultsCXCL14 expression was decreased in epidermal keratinocytes in lesional skin and serum CXCL14 levels were negatively correlated with Psoriasis Area and Severity Index scores in psoriasis patients. Serum CXCL14 levels were increased in nbUVB‐treated psoriasis patients and UVB irradiation induced CXCL14 mRNA expression from HaCaT cells.ConclusionOur results suggest that decreased CXCL14 expression may contribute to the exacerbation of psoriasis and that the amplification of CXCL14 can be a therapeutic option for psoriasis. One of the mechanisms of the efficacy of nbUVB therapy in psoriasis may be the upregulation of CXCL14.
Back acupoint location method based on prior information and deep learning
Authors: Liu Ying‐Bin , Qin Jian‐Hua , Zeng Gui‐Fen 
Published: September 2023

AbstractAcupuncture points have a positive effect on the auxiliary prevention and treatment of diseases, so medical devices such as acupuncture robots often need to combine acupuncture points to improve the treatment effect when working, however, intelligent acupoint selection technology is not yet mature, the automatic rapid and accurate positioning of acupoints is still challenging. Therefore, this paper proposes a method of back acupoint location and an evaluation index of acupoint location. First, we propose an improved Keypoint RCNN network for the preliminary location of back acupoints and introduce a channel and spatial attention mechanism module (CBAM) to improve the performance of the model. Then, we set up a posterior median line positioning method to improve the accuracy of acupoint positioning. Finally, expand and locate other acupoints according to the prior information of acupoints. According to the experimental results, the accuracy of acupoint positioning was 87.32%. After the correction of acupoint positioning, the accuracy was increased by 2.8%, which was 90.12%. In this paper, the application of depth learning in automatic location of back acupoints is realized for the first time. Only one image can be used to locate the back acupoints, with an accuracy of 90.12%.
Catalytic Reaction Mechanism of Bacterial GH92 α‐1,2‐Mannosidase: A QM/MM Metadynamics Study
Authors: Sagiroglugil Mert , Yasar Fatih 
Published: October 2023

AbstractThe catalytic mechanism of a
‐dependent family 92
‐mannosidase, which is abundantly present in human gut flora and malfunctions leading to the lysosomal storage disease α‐mannosidosis, has been investigated using quantum mechanics/molecular mechanics and metadynamics methods. Computational efforts show that the enzyme follows a conformational itinerary of
and the
ion serves a dual purpose, as it not only distorts the sugar ring but also plays a crucial role in orchestrating the arrangement of catalytic residues. This orchestration, in turn, contributes to the facilitation of
conformers for the ensuing reaction. This mechanistic insight is well‐aligned with the experimental predictions of the catalytic pathway, and the computed energies are of the same order of magnitude as the experimental estimations. Hence, our results extend the mechanistic understanding of glycosidases.
Wavelet transform‐based real‐time energy management strategy of hybrid energy storage system for electric vehicle
Authors: Jiang Jie , Wang Chun , Zhang Qiang , Zhang Yongzhi , Yu Quanqing 
Published: September 2023

SummaryThe peak and transient components of demand power caused by the complex and variable traffic environment could induce the accelerated degradation of the battery lifespan for electric vehicle (EV). This paper proposes a wavelet transform‐based real‐time energy management strategy (EMS) to fully exploit the advantages of the hybrid energy storage system (HESS). First, to adapt the characteristics of battery and ultracapacitor, wavelet transform is employed to decompose driving cycle into high frequency power and low frequency power. Second, since the wavelet transform is difficult to be directly implemented in real‐time control, a power prediction model including four neural network predictors is established, which are trained by the data obtained from wavelet transform to online predict the power of different frequencies. Third, the high frequency power and the low frequency power are distributed to the battery and ultracapacitor by fuzzy logic control (FLC) algorithm, which can significantly reduce the damage caused by current rapid changes into the battery. Accordingly, the battery lifespan is effectively extended because it significantly avoids the impact of rapidly changing and peak current. Finally, simulation results verify the effectiveness of wavelet transform‐based real‐time EMS, and the proposed EMS robustness against temperature is verified at different temperatures. Compared with the wavelet transform strategy (WTS), the peak currents of wavelet transform‐fuzzy logic control strategy (WTFLCS) are decreased by 26.07%, 25.66%, and 25.85% at 10°C, 25°C, and 40°C, respectively.
FCM marker importance for MRD assessment in T‐cell acute lymphoblastic leukemia: An AIEOP‐BFM‐ALL‐FLOW study group report
Authors: Kowarsch Florian , Maurer‐Granofszky Margarita , Weijler Lisa , Wödlinger Matthias , Reiter Michael , Schumich Angela , Feuerstein Tamar , Sala Simona , Nováková Michaela , Faggin Giovanni , Gaipa Giuseppe , Hrusak Ondrej , Buldini Barbara , Dworzak Michael N. 
Published: September 2023

AbstractT‐lineage acute lymphoblastic leukemia (T‐ALL) accounts for about 15% of pediatric and about 25% of adult ALL cases. Minimal/measurable residual disease (MRD) assessed by flow cytometry (FCM) is an important prognostic indicator for risk stratification. In order to assess the MRD a limited number of antibodies directed against the most discriminative antigens must be selected. We propose a pipeline for evaluating the influence of different markers for cell population classification in FCM data. We use linear support vector machine, fitted to each sample individually to avoid issues with patient and laboratory variations. The best separating hyperplane direction as well as the influence of omitting specific markers is considered. Ninety‐one bone marrow samples of 43 pediatric T‐ALL patients from five reference laboratories were analyzed by FCM regarding marker importance for blast cell identification using combinations of eight different markers. For all laboratories, CD48 and CD99 were among the top three markers with strongest contribution to the optimal hyperplane, measured by median separating hyperplane coefficient size for all samples per center and time point (diagnosis, Day 15, Day 33). Based on the available limited set tested (CD3, CD4, CD5, CD7, CD8, CD45, CD48, CD99), our findings prove that CD48 and CD99 are useful markers for MRD monitoring in T‐ALL. The proposed pipeline can be applied for evaluation of other marker combinations in the future.
An intelligent resource allocation strategy for machine type communication environment
Authors: Sharmila Muthirevula , Satyanarayana Ravinutala Venkata Subbu 
Published: October 2023

SummaryMobile communication has multiplied in many digital intelligent applications. The machine‐type communication (MTC) services have afforded flexible communication facilities considering those facilities. However, high energy consumption and poor data rate have made the MTC a complex system. So, the resource allocation strategy has been introduced by different procedures such as neural models, optimization, and mathematical models. But, in some cases, these algorithms have recorded high complexity and high resource requirement. Hence, the present research article has planned to develop a novel Chimp‐based Extreme Neural Model (CbENM) for allocating the desired optimal resource for each machine user. Moreover, the resources were assigned based on the task completion deadline. Before the resource allocation process, the active state users were predicted by analyzing their data rate and deadlines. Finally, the desired resources were allocated to each user, and the performance was validated. The presented model has a lower delay bond rate and a high data aggregate rate.
Primary cilia are critical for tracheoesophageal septation
Authors: Fitzsimons Lindsey Avery , Tasouri Evangelia , Willaredt Marc August , Stetson Daniel , Gojak Christian , Kirsch Joachim , Gardner Humphrey A. R. , Gorgas Karin , Tucker Kerry L. 
Published: September 2023

AbstractIntroductionPrimary cilia play pivotal roles in the patterning and morphogenesis of a wide variety of organs during mammalian development. Here we examined murine foregut septation in the cobblestone mutant, a hypomorphic allele of the gene encoding the intraflagellar transport protein IFT88, a protein essential for normal cilia function.ResultsWe reveal a crucial role for primary cilia in foregut division, since their dramatic decrease in cilia in both the foregut endoderm and mesenchyme of mutant embryos resulted in a proximal tracheoesophageal septation defects and in the formation of distal tracheo(broncho)esophageal fistulae similar to the most common congenital tracheoesophageal malformations in humans. Interestingly, the dorsoventral patterning determining the dorsal digestive and the ventral respiratory endoderm remained intact, whereas Hedgehog signaling was aberrantly activated.ConclusionsOur results demonstrate the cobblestone mutant to represent one of the very few mouse models that display both correct endodermal dorsoventral specification but defective compartmentalization of the proximal foregut. It stands exemplary for a tracheoesophageal ciliopathy, offering the possibility to elucidate the molecular mechanisms how primary cilia orchestrate the septation process. The plethora of malformations observed in the cobblestone embryo allow for a deeper insight into a putative link between primary cilia and human VATER/VACTERL syndromes.
Optimization of train timetables and placement of charging facilities for battery‐powered LRT
Authors: Horiuchi Kosuke , Miyatake Masafumi 
Published: October 2023

AbstractThe energy consumption of a battery‐powered train in an interstation depends on the running time and state of energy (SOE) at departure. In this paper, we develop an optimization method of train timetables to minimize energy consumption in line with several stations. The variables in this proposed optimization model are running, dwell, and charging times as real numbers and places of charging facilities as binaries. Additionally, we conducted a case study using the real‐world light rail transit (LRT) route, vehicle, and onboard battery model to confirm the effectiveness. In the case study, the proposed method can optimize the timetable and placement of charging facilities by considering the track gradient and battery SOE.