bluuebunny/crossref_metadata_2025_split huggingface dataset:
Norbornadiene/Quadricyclane System in the Spotlight: The Role of Rydberg States and Dynamic Electronic Correlation in a Solar‐Thermal Building Block
Authors: Coppola Federico , Nucci Martina , Marazzi Marco , Rocca Dario , Pastore Mariachiara 
Published: January 2023

AbstractIn this contribution, we studied the photophysics and photochemistry of an archetypal molecular switch in terms of solar energy storage and release. In detail, we characterized the valence and Rydberg states of norbornadiene (NBD) and quadricyclane (QC) by means of CASPT2//CASSCF theory level, finding a good agreement of the calculated vertical excitation energies with the experimental counterparts. The NBD↔QC thermal and photochemical valence isomerization [2π+2π] reactions have been addressed and investigated. Low energy crossing points between excited states were identified for both the NBD↔QC photochemical reactions, through the calculation of minimum energy paths which revealed that the photochemistry is ruled by the deformation of two coupled reaction coordinates. Such coordinates were also used to build potential energy surfaces through relaxed energy scans with the goal of building a simplified, still accurate, model system able to catch the NBD↔QC photorelaxation. Also, the S1/S0 respective conical intersection were characterized and related to the reaction quantum yield. Interestingly, we found that reverse photoisomerization from QC to the NBD progenitor could in principle occur by direct excitation of σ‐3s and σ‐3p Rydberg excited states in the UV spectral range. In both NBD and QC photoreactivity, the doubly excited valence state has shown to play a crucial role for reaching crossing points leading to nonadiabatic population transfers.
Seeding Agents in Metal Halide Perovskite Solar Cells: From Material to Mechanism
Authors: He Jun , Wang Shirong , Li Xianggao , Zhang Fei 
Published: January 2023

AbstractMetal halide perovskite solar cells (PSCs) have been showing up in the commercial field, with an inspiring power conversion efficiency (PCE) of over 26 % in the laboratory. The quality of perovskite films is still a bottleneck due to the random and fast crystallization of ionic perovskite materials. Seeding agent‐mediated crystallization has consistently been recognized as an efficient method for preparing bulk single crystals and high‐quality films. Herein, we summarized the seeding mechanism, characterization techniques, and seeding agents working in different locations during PSC device fabrication. This Review could further facilitate researchers with a deeper understanding of seeding agents and enhance more choices for seeding crystallization to improve the performance further and the device's large‐scale fabrication toward commercialization.
In Situ Interfacial Passivation in Aqueous Electrolyte for Mg‐Air Batteries with High Anode Utilization and Specific Capacity
Authors: Song Zhenxin , Wang Jiajun , Song Yue , Chen Zanyu , Zhang Hong , Wu Zhong , Han Xiaopeng , Hu Wenbin 
Published: January 2023

AbstractMg‐air batteries are a promising new generation of batteries because they can operate in neutral electrolytes that are safe and nontoxic. However, the high corrosion and low utilization of Mg anodes in Mg‐air batteries result in low specific capacity and severe self‐discharge. In this study, an Mg(OTf)2‐based aqueous electrolyte is developed, which addresses these issues by reducing the contact of the Mg anode with water molecules from the hydrophobic −CF3 groups and forming an MgF2 protective layer. The assembled Mg‐air batteries exhibit specific capacities of up to 1920 mAh g−1Mg (87.32 % utilization based on the Mg anode). In addition, the resting time of the corresponding Mg‐air batteries was 123 times longer than that of Mg‐air batteries with pure NaCl electrolytes under the same conditions.
Progressive Voxel‐Wise Homotopic Connectivity from childhood to adulthood: Age‐related functional asymmetry in resting‐state functional magnetic resonance imaging
Authors: Tarchi Livio , Damiani Stefano , Vittori Paolo La Torraca , Frick Andreas , Castellini Giovanni , Politi Pierluigi , Fusar‐Poli Paolo , Ricca Valdo 
Published: January 2023

AbstractHomotopic connectivity during resting state has been proposed as a risk marker for neurologic and psychiatric conditions, but a precise characterization of its trajectory through development is currently lacking. Voxel‐Mirrored Homotopic Connectivity (VMHC) was evaluated in a sample of 85 neurotypical individuals aged 7–18 years. VMHC associations with age, handedness, sex, and motion were explored at the voxel‐wise level. VMHC correlates were also explored within 14 functional networks. Primary and secondary outcomes were repeated in a sample of 107 adults aged 21–50 years. In adults, VMHC was negatively correlated with age only in the posterior insula (false discovery rate p < .05, >30‐voxel clusters), while a distributed effect among the medial axis was observed in minors. Four out of 14 considered networks showed significant negative correlations between VMHC and age in minors (basal ganglia r = –.280, p = .010; anterior salience r = –.245, p = .024; language r = –.222, p = .041; primary visual r = –.257, p = .017), but not adults. In minors, a positive effect of motion on VMHC was observed only in the putamen. Sex did not significantly influence age effects on VMHC. The current study showed a specific decrease in VMHC for minors as a function of age, but not adults, supporting the notion that interhemispheric interactions can shape late neurodevelopment.
Syntheses and Structures of Facial and Meridional Stereoisomers of κ2‐N,S‐Chelated Ruthenium Borate Complexes
Authors: Ahmad Asif , Saha Suvam , Zafar Mohammad , Roisnel Thierry , Ghosh Prasanta , Ghosh Sundargopal 
Published: January 2023

AbstractThe trans‐mer‐[(κ2‐N,S‐NS2C7H4)PR3Ru{κ3‐H,S,S′‐H2B (NS2C7H4)2}], (trans‐mer‐1 a: R=Cy; trans‐mer‐1 b: R=Ph) complexes are kinetically controlled products that upon thermolysis led to the formation of cis‐mer‐[(κ2‐N,S‐NS2C7H4)PR3Ru{κ3‐H,S,S′‐H2B(NS2C7H4)2}], (cis‐mer‐2 a: R=Cy; cis‐mer‐2 b: R=Ph) and cis‐fac‐[(κ2‐N,S‐NS2C7H4)PR3Ru{κ3‐H,S,S′‐H2B(NS2C7H4)2}], (cis‐fac‐3 a: R=Cy; cis‐fac‐3 b: R=Ph) along with complex cis‐[(κ2‐N,S‐NS2C7H4)2Ru(PPh3)2], (cis‐4). One of the main intentions of this study was to examine the flexibility of the borate and hemilabile N,S‐chelating mercapto‐benzothiazole ligands in adapting different spatial arrangements around metal center. Multinuclear spectroscopic analyses have been done to characterize all new complexes and the structures were further confirmed by single‐crystal X‐ray diffraction analysis. Further, Density Functional Theory (DFT) calculations were performed to provide an insight into the bonding of the complexes.
Using the inner membrane of Escherichia coli as a scaffold to anchor enzymes for metabolic flux enhancement
Authors: Wang You , Wang Yushu , Wu Yuqi , Suo Yang , Guo Huaqing , Yu Yineng , Yin Ruonan , Xi Rui , Wu Jiajie , Hua Nan , Zhang Yuehan , Zhang Shaobo , Jin Zhenming , He Lin , Ma Gang 
Published: January 2023

AbstractClustering enzymes in the same metabolic pathway is a natural strategy to enhance productivity. Synthetic protein, RNA and DNA scaffolds have been designed to artificially cluster multiple enzymes in the cell, which require complex construction processes and possess limited slots for target enzymes. We utilized the Escherichia coli inner cell membrane as a native scaffold to cluster four fatty acid synthases (FAS) and achieved to improve the efficiency of fatty acid synthesis in vivo. The construction strategy is as simple as fusing target enzymes to the N‐terminus or C‐terminus of the membrane anchor protein (Lgt), and the number of anchored enzymes is not restricted. This novel device not only presents a similar efficiency in clustering multiple enzymes to that of other artificial scaffolds but also promotes the product secretion, driving the entire metabolic flux forward and further increasing the gross yield compared with that in a cytoplasmic scaffold system.
Vehicular pollution prediction using HWTO‐ANFIS model in urban areas of Hyderabad City
Authors: Reddy K. Yugandhara , Krishna K. V. S. G. Murali 
Published: January 2023

AbstractAir pollution has become a life‐threatening factor around the world in recent decades as a result of vehicles, industrialization, human activities, and urbanization. The existing vehicular air pollution prediction studies met several shortcomings in terms of poor prediction accuracy, higher error rates, huge execution time and etc. To tackle these challenges, this study proposed a Hybrid Whale Tabu Optimization‐based Adaptive Neuro‐Fuzzy Inference System (HWTO‐ANFIS) predict the effects of vehicular pollution in urban areas. The major objective of this paper is to minimize the forecasting error and get optimal results during pollution prediction. The average, minimum and maximum noise levels of vehicles are effectively predicted using the proposed HWTO‐ANFIS model. The proposed model efficiency is evaluated using various performance measures such as Normalized Mean Square Error, Mean absolute percent error, Mean Absolute Error, Average Error and Root Mean Square Error respectively. The MATLAB software performs the implementation work. Hyderabad city based vehicular pollution data is taken and analyzed to predict environmental pollution based on vehicles. For the analysis of the dataset, the number of pollutants is considered and the Air Quality Index (AQI) is also determined. The proposed hybrid method is tested and evaluated with the existing methods like Artificial Neural Networks (ANN) and Fuzzy Logic Controllers (FLC). In this study, the proposed HWTO‐ANFIS model is utilized to predict vehicular pollution in the last years such as 2018, 2019, 2020 and 2021, respectively. The proposed method's accuracy is 7%–12% greater than that of other conventional techniques. However, the proposed method offers superior detection performances than other state‐of‐art methods.
Inertial and kinematic interactions of bridge‐pile group subjected to liquefaction induced lateral spreading: Large‐scale shaking table experiments
Authors: Jia Kemin , Xu Chengshun , El Naggar M. Hesham , Dou Pengfei , Pan Rujiang , Song Jia 
Published: January 2023

AbstractThis paper investigates the seismic bridge‐pile‐soil system failure mechanisms due to liquefaction‐induced lateral spreading. Two large‐scale shaking table tests were performed on pile groups with and without bridges in sloped liquefiable soils overlain by soil crust. The systems were subjected to a weak earthquake signal (Tabas 0.05 g) and a strong earthquake signal (Tabas 0.3 g). Their responses were recorded in terms of excess pore pressure, acceleration, and displacement time histories. The piles seismic failure mode and mechanism are described based on the obtained results. In addition, the inertial and kinematic interaction effects on the piles’ deflection were evaluated. The results demonstrated that the bridge had no significant effect on the seismic response of the pile‐soil system under weak earthquakes. Meanwhile, the test model without a bridge experienced more significant soil lateral displacement, and the saturated sand exhibited dilatant behavior, and amplified the acceleration peak response during the strong earthquake. Moreover, the liquefaction‐induced lateral spreading moved the vulnerable position of the pile group bridge system from the pier bottom to the pile head, which changed the failure mode of the pile head. The results also revealed that, compared with weak earthquake excitation, the kinematic effect was significantly enhanced, and the inertia effect was weakened during strong earthquakes. Moreover, the pile curvature during both weak and strong earthquakes was inversely proportional to the bridge inertial load.
TREM2‐dependent microglial function is essential for remyelination and subsequent neuroprotection
Authors: Wang Yuanyuan , Kyauk Roxanne V. , Shen Yun‐An A. , Xie Luke , Reichelt Mike , Lin Han , Jiang Zhiyu , Ngu Hai , Shen Kimberle , Greene Jacob J. , Sheng Morgan , Yuen Tracy J. 
Published: January 2023

AbstractDisability in multiple sclerosis (MS) is driven in part by the failure of remyelination and progressive neurodegeneration. Microglia, and specifically triggering receptor expressed on myeloid cells 2 (TREM2), a factor highly expressed in microglia, have been shown to play an important role in remyelination. Here, using a focal demyelination model in the brain, we demonstrate that demyelination is persistent in TREM2 knockout mice, lasting more than 6 weeks after lysolecithin injection and resulting in substantial neurodegeneration. We also find that TREM2 knockout mice exhibit an altered glial response following demyelination. TREM2 knockout microglia demonstrate defects in migration and phagocytosis of myelin debris. In addition, human monocyte‐derived macrophages from subjects with a TREM2 mutation prevalent in human disease also show a defect in myelin debris phagocytosis. Together, we highlight the central role of TREM2 signaling in remyelination and neuroprotection. These findings provide insights into how chronic demyelination might lead to axonal damage and could help identify novel neuroprotective therapeutic targets for MS.
Clan loyalty and COVID‐19 diffusion: Evidence from China
Authors: Deng Kebin , Ding Zhong , Liu Xu 
Published: January 2023

AbstractThis paper addresses the substantial role of clan loyalty in promoting COVID‐19 diffusion in China. Using a city–date panel dataset of observations from 183 cities (prefecture‐level and above) in the period of the special long holiday of Chinese New Year in 2020 (January 24–March 1), we find that regions with higher clan loyalty have more COVID‐19 cases than regions with lower clan loyalty. A one standard deviation increase in clan loyalty is associated with an 8.1% increase in COVID‐19 cases. We further document that clan loyalty drives COVID‐19 cases by promoting mass gatherings, exploiting a staggered difference‐in‐differences (DID) regression based on city community‐management policy shocks. Our paper provides novel evidence of one negative public health consequence of clan loyalty, namely, its aggravation of COVID‐19 cases.
Health literacy and fatigue, anxiety, depression, and somatic symptoms in patients with differentiated thyroid carcinoma from West China: A cross‐sectional study
Authors: Huang MengMeng , Wu YunJian , Wen XianXiu , Song WenZhong 
Published: January 2023

AbstractBackground and AimsDifferentiated thyroid carcinoma (DTC) patients are associated with excellent prognosis but impaired health‐related quality of life (HRQOL) by initial and subsequent therapy. Health literacy plays a pivotal role in public health and medical settings, but data on its relationship with DTC patients' HRQOL are insufficient and equivocal. This study was designed to explore the relationship between health literacy and HRQOL in patients with DTC from West China areas.MethodsA cross‐sectional study with a descriptive correlational design was conducted. 126 patients with DTC were recruited between 2020 and 2021. Levels of health literacy and HRQOL (including fatigue level, anxiety/depression status, and somatoform symptoms) were assessed by questionnaires. Pearson product–moment correlation and Stepwise multiple regression were used to examined the adjusted association of health literacy with HRQOL.ResultsHealth literacy and receiving DTC‐related education together explained 16.2% of the variance in fatigue level. Patients who had higher health literacy, received more DTC‐related education were currently employed and less fatigue. Health literacy, fatigue level and DTC‐related education together explained 31.0% of the variance in anxiety and depression of DTC patients. Patients who had higher health literacy, received more DTC‐related education and less fatigue level were less anxious and depressive. Age explained 8.3% of the variance in DTC patients' somatoform symptoms. Older patients complained more somatoform symptoms.ConclusionHealth literacy was positively associated with HRQOL in DTC patients regarding to fatigue level and anxiety/depression status across the entire sample. Interventions to improve HRQOL should take the patients' health literacy into account.
Retracted: Evaluating the effects of air disinfectants in decontamination of COVID‐19 aerosols
Authors: Dehghani Soheil , SeyedAlinaghi SeyedAhmad , Karimi Amirali , Afroughi Fatemeh , Abshenas Shayan , Azad Kimia , Tantuoyir Marcarious M. , Mohammadi Parsa , Ghavam Seyed Mohammad , Mojdeganlou Hengameh , Dadras Omid , Nazarian Newsha , Vahedi Farzin , Barzegary Alireza , Mehraeen Esmaeil 
Published: January 2023

AbstractIntroductionAirborne transmission is the most  crucial mode of COVID‐19 transmission. Therefore, disinfecting the severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) aerosols float can have important implications in limiting COVID‐19 transmission. Herein, we aimed to review the studies that utilized various disinfectants to decontaminate and inactivate the SARS‐CoV‐2 aerosols.MethodsThis study was a review that studied related articles published between December 1, 2019 and August 23, 2022. We searched the online databases of PubMed, Scopus, Web of Science, Cochrane, on August 23, 2021. The studies were downloaded into the EndNote software, duplicates were removed, and then the studies were screened based on the inclusion/exclusion criteria. The screening process involved two steps; first, the studies were screened based on their title and abstract and then their full texts. The included studies were used for the qualitative analysis.ResultsFrom 664 retrieved records, only 31 met the inclusion criteria and were included in the final qualitative analysis. Various materials like Ozone, H2O2, alcohol, and TiO2 and methods like heating and using Ultraviolet were described in these studies to disinfect places contaminated by COVID‐19. It appeared that the efficacy of these disinfectants varies considerably depending on the situation, time, and ultimately their mode of application.ConclusionFollowing reliable protocols in combination with the proper selection of disinfectant agents for each purpose would serve to achieve desired elimination of the SARS‐CoV‐2 transmission.
Transient thermal investigation of a fully wet porous convective–radiative rough cylindrical pin fin
Authors: Gireesha B. J. , Keerthi M. L. , Eshwarappa K. M. 
Published: January 2023

AbstractThe microelectromechanical systems technologies frequently produce rough surfaces, and the repercussion of roughness on the thermal performance is more prominent in structures of smaller dimensions. In this regard, the present article intends to examine the unsteady thermal behavior of a fully wet, porous, and rough micropin‐fin structure under convective–radiative conditions. Here, a pin fin of a cylindrical profile has been chosen. The problem is modeled by incorporating the roughness parameters in the perimeter and cross‐sectional area of the pin fin. Further, the study of the porous structure has been carried out by implementing the Darcy model. The resulting partial differential equation is nonlinear and of the second order which has been solved by employing the finite difference method. The impact of the roughness parameter, wet porous parameter, dimensionless time, convective parameter, base radius‐to‐length ratio, radiative parameter, thermal conductivity parameter, power index, and ambient temperature on the thermal performance and efficiency of rough micropin‐fin structures has been established graphically. According to the findings, for rise in roughness, the rough micropin fin has more thermal drop rate and less efficiency than the smooth one. Further, the work is beneficial in the field of microelectronics, especially in the design of micropin‐fin structures.
Political uncertainty and stock market liquidity, size, and transaction cost: The role of institutional quality
Authors: Obenpong Kwabi Frank , Adegbite Emmanuel , Ezeani Ernest , Wonu Chizindu , Mumbi Henry 
Published: January 2023

AbstractUsing panel data of 42 countries from 2001 to 2019, we examine whether political uncertainty (caused by uncertainty about national elections) explains variations in cross‐country liquidity, market size, and transaction cost. We also investigate whether institutional quality moderates the negative effects of political uncertainty on stock market development. We show that political uncertainty reduces stock market size, liquidity, and increases transaction costs. Our results indicate that institutional quality moderates the negative effects of political uncertainty on stock market development. However, we find no effects in emerging markets arising from the high prevalence of weak institutions. We confirm the robustness of our findings using alternative financial development measures and endogeneity. This study enhances our understanding of the salient role of political uncertainty in the development of the stock market, with important implications for market regulators, corporations, and investors.
HPKNN: Hyper‐parameter optimized KNN classifier for classification of poikilocytosis
Authors: Dhar Prasenjit , Kothandapani Suganya Devi , Satti Satish Kumar , Padmanabhan Srinivasan 
Published: January 2023

AbstractRed blood cells (RBCs) are the more crucial components of a healthy organism. Poikilocytosis is a disorder in which blood cells lose their standard shapes. The human bodies are affected by disorders like anemia and thalassemia because the structure of RBCs shape changes. Hematologists take longer time to detect abnormalities in RBCs. The proposed hyper‐parameter optimizable K nearest neighbor (HPKNN) algorithm detects and classifies numerous types of poikilocytosis quickly and accurately. On the Chula‐PIC‐Lab and Erythrocytes IDB datasets, the proposed HPKNN algorithm was tested. After the preprocessing stage, the Freeman chain code has been utilized to retrieve the exact boundary shape of RBC morphology. On datasets of Erythrocytes IDB 1, 2, 3, and Chula‐PIC‐Lab(Chula‐RBC‐12), the morphological tools and Freeman chain code based segmentation provide 97.44% and 94.45% accuracy, respectively, which is superior than other methods. The proposed HPKNN classifier has an overall sensitivity of 97.9%, precision of 97.9%, and an f1 score of 97.9% on the Chula‐PIC‐Lab (Chula‐RBC‐12) dataset to classify 10 classes, namely acanthocyte, dacrocyte, echinocyte, elliptocyte, normal, overlapped, schistocyte, spherocyte, stomatocyte, and target cell, which is greater than any other current approach. The HPKNN classifier achieves 98.085% precision, 98.085% sensitivity or recall, and 98.085% f1‐score values on the Erythrocytes IDB datasets to classify circular, elongated, and other RBC classes.