bluuebunny/crossref_metadata_2025_split huggingface dataset:
Persistent and transient efficiency of the chemical fertilizer firms in China: Does ownership matter?
Authors: Zhang Xiaoheng , Huangfu Bingyu , Min Shi 
Published: July 2022

AbstractThe chemical fertilizer industry has made great contributions to China's food security. Existing studies mainly focus on evaluating fertilizer use efficiency at the farm level whereas little is known about the technical efficiency of Chinese firms producing fertilizer. Based on the Chinese Industrial Enterprise Database (CIED) and the Generalized True Random Effects model (GTRE), this paper estimates and decomposes the technical efficiency of Chinese fertilizer‐producing firms. Results show technical efficiency increased from 0.883 in 1998 to 0.930 in 2007, with an average of 0.898. The growth rate of persistent efficiency is lower than that of transient efficiency, implying structural problems exist in the Chinese fertilizer industry. Moreover, ownership type and firms' entry and exit are exogenous determinants of technical inefficiency. State‐owned firms perform much worse on technical efficiency. The entry of efficient firms and exit of inefficient firms, especially the exit of inefficient state‐owned firms, have improved the technical efficiency significantly.
Automatized protocol and interface to simulate QM/MM time‐resolved transient absorption at TD‐DFT level with COBRAMM
Authors: Avagliano Davide , Bonfanti Matteo , Nenov Artur , Garavelli Marco 
Published: July 2022

AbstractWe present a series of new implementations that we recently introduced in COBRAMM, the open‐source academic software developed in our group. The goal of these implementations is to offer an automatized workflow and interface to simulate time‐resolved transient absorption (TA) spectra of medium‐to‐big chromophore embedded in a complex environment. Therefore, the excited states absorption and the stimulated emission are simulated along nonadiabatic dynamics performed with trajectory surface hopping. The possibility of treating systems from medium to big size is given by the use of time‐dependent density functional theory (TD‐DFT) and the presence of the environment is taken into account employing a hybrid quantum mechanics/molecular mechanics (QM/MM) scheme. The full implementation includes a series of auxiliary scripts to properly setup the QM/MM system, the calculation of the wavefunction overlap along the dynamics for the propagation, the evaluation of the transition dipole moment at linear response TD‐DFT level, and scripts to setup, run and analyze the TA from an ensemble of trajectories. Altogether, we believe that our implementation will open the door to the easily simulate the time‐resolved TA of systems so far computationally inaccessible.
JNK pathway‐associated phosphatase in acute ischemic stroke patients: Its correlation with T helper cells, clinical properties, and recurrence risk
Authors: Zhao Ping , Huo Huiyong , Li Juntao , Zhang Wenchao , Liu Chao , Jin Bei , Wang Huijuan , Wang Chaohui 
Published: July 2022

AbstractObjectiveJKAP modifies T‐cell immune response and inflammation, also involves in cardia‐cerebrovascular disease etiology. This study intended to explore JKAP's relation with T‐helper 1 (Th1), T‐helper 17 (Th17) cell levels, clinical properties, and recurrence‐free survival (RFS) in acute ischemic stroke (AIS) patients.MethodsA total of 155 AIS patients were analyzed. Serum JKAP, interferon‐gamma (IFN‐γ), and interleukin‐17A (IL‐17A) were detected by ELISA; then blood Th1 and Th17 cells were quantified by flow cytometry. Besides, 30 healthy subjects were enrolled as controls to detect JKAP, Th1, and Th17 cells.ResultsJKAP level was lower (p < 0.001), Th1 cells were not differed (p = 0.068), but Th17 cells were elevated in AIS patients versus controls (p < 0.001). Meanwhile, JKAP was negatively correlated with Th1 cells (p = 0.038), Th17 cells (P<0.001), IFN‐γ (p = 0.002), and IL‐17A (p < 0.001) in AIS patients. JKAP was negatively associated with the National Institutes of Health Stroke Scale (NIHSS) score (p < 0.001), but Th17 cells (p = 0.001), IFN‐γ (p = 0.035), and IL‐17A (p = 0.008) levels were positively associated with NIHSS score. Additionally, accumulating RFS was numerically longer in patients with JKAP Quantile (Q) 4 than patients with JKAP Q1–Q3 (p = 0.068), and numerically better in patients with JKAP Q3–Q4 than patients with JKAP Q1–Q2 (p = 0.069), but without statistical significance.ConclusionJKAP correlates with lower Th1 and Th17 cell percentages as well as milder disease severity.
Computational construction of TME‐related lncRNAs signature for predicting prognosis and immunotherapy response in clear cell renal cell carcinoma
Authors: Zhou Libin , Fang Hualong , Guo Fei , Yin Min , Long Huimin , Weng Guobin 
Published: July 2022

AbstractBackgroundThe tumor microenvironment (TME) is closely related to clear cell renal cell carcinoma (ccRCC) prognosis, and immunotherapy response. In current study, comprehensive bio‐informative analysis was adopted to construct a TME‐related lncRNA signature for immune checkpoint inhibitors (ICIs) and targeted drug responses in ccRCC patients.MethodsThe TME mRNAs were screened following the immune and stromal scores with the data from GSE15641, GSE29609, GSE36895, GSE46699, GSE53757, and The Cancer Genome Atlas (TCGA)‐kidney renal clear cell carcinoma (KIRC). And the TME‐related lncRNAs were recognized using correlation analysis. The TME‐related lncRNAs prognostic model was constructed using the training dataset. Kaplan–Meier analysis, principal‐component analysis, and time‐dependent receiver operating characteristic were used to evaluate the risk model. The immune cell infiltration in TME was evaluated using the single‐sample gene set enrichment analysis (ssGSEA), ESTIMATE, and microenvironment cell populations counter algorithm. The immunophenoscore (IPS) was used to assess the response to immunotherapy with the constructed model.ResultsIn the current study, 364 TME‐related lncRNAs were selected based on the integrated bioinformatical analysis. Six TME‐related lncRNAs (LINC00460, LINC01094, AC008870.2, AC068792.1, and AC007637.1) were identified as the prognostic signature in the training dataset and subsequently verified in the testing and entire datasets. Patients in the high‐risk group exhibited poor overall survival and disease‐free survival than those in the low‐risk group. The 1‐, 3‐, and 5‐year areas under the curves of the prognostic signature in the entire dataset were 0.704, 0.683, and 0.750, respectively. The risk score independently predicted ccRCC survival based on univariate and multivariate Cox regression. GSEA analysis suggested that the high‐risk group was concentrated on immune‐related pathways. The high‐risk group were characterized by high immune cell infiltration, high TMB and somatic mutation counters, high IPS‐PD‐1 + CTLA4 scores, and immune checkpoints expression upregulation, reflecting the higher ICIs response. The half inhibitory concentrations of sunitinib, temsirolimus, and rapamycin were low in the high‐risk group.ConclusionThe TME‐related lncRNAs signature constructed could reliably predict the prognosis and immunotherapy response and targeted ccRCC patients' therapy.
Global distribution of treatment resistance gene markers for leishmaniasis
Authors: Salari Samira , Bamorovat Mehdi , Sharifi Iraj , Almani Pooya Ghasemi Nejad 
Published: July 2022

AbstractBackgroundPentavalent antimonials (Sb(V)) such as meglumine antimoniate (Glucantime®) and sodium stibogluconate (Pentostam®) are used as first‐line treatments for leishmaniasis, either alone or in combination with second‐line drugs such as amphotericin B (Amp B), miltefosine (MIL), methotrexate (MTX), or cryotherapy. Therapeutic aspects of these drugs are now challenged because of clinical resistance worldwide.MethodsWe reviewedthe recent original studies were assessed by searching in electronic databases such as Scopus, Pubmed, Embase, and Web of Science.ResultsStudies on molecular biomarkers involved in drug resistance are essential for monitoring the disease. We reviewed genes and mechanisms of resistance to leishmaniasis, and the geographical distribution of these biomarkers in each country has also been thoroughly investigated.ConclusionDue to the emergence of resistant genes mainly in anthroponotic Leishmania species such as L. donovani and L. tropica, as the causative agents of ACL and AVL, respectively, selection of an appropriate treatment modality is essential. Physicians should be aware of the presence of such resistance for the selection of proper treatment modalities in endemic countries.
Cu/CuOx@C for efficient selective transfer hydrogenation of furfural to furfuryl alcohol with formic acid
Authors: Wang Tong , Suo Wei , Qu Miaomiao , Li Fang , Sun Shujuan , Xue Wei , Wang Yanji 
Published: July 2022

AbstractBackgroundCatalytic transfer hydrogenation has been increasingly employed as an effective and safe method for biomass upgrading; however, relying on biomass‐derived formic acid (FA) as hydrogen source has rarely been studied, especially in the production of furfuryl alcohol (FOL) from biomass‐derived furfural (FF) via selective hydrogenation, which is challenging due to diverse unsaturated groups. Herein, in situ encapsulation and stabilization of Cu/CuOx in a porous carbon matrix (Cu/CuOx@C) was reported for the first time and applied in the hydrogenation of FF to FOL with FA.ResultsVarious analytical techniques were used to characterize the effect of pyrolysis temperature on Cu/CuOx@C, since the temperature can be adjusted to control the reduction of the catalyst to give different Cu0/Cun+ ratios. The optimal catalyst Cu/CuOx@C‐450 gave a 99.1% FF conversion and 98% FOL selectivity under suitable reaction conditions, exhibiting excellent activity that was even better than those of noble metal catalysts. Further, density functional theory calculations were used to reveal the effect of Cu species on FA decomposition and final catalytic performance.ConclusionThe catalytic activity of Cu/CuOx@C was influenced by the pyrolysis temperature of the catalyst precursor, and its good performance was mainly attributed to a high dispersion of accessible catalytic Cu/CuOx nanoparticles on the porous carbon and to an appropriate Cu0/Cun+ ratio. © 2022 Society of Chemical Industry (SCI).
Milliscale reactors for integration of continuous precipitation and filtration
Authors: Pons Royo Maria del Carme , Montes‐Serrano Ignacio , Valery Eric , Jungbauer Alois , Satzer Peter 
Published: July 2022

AbstractBACKGROUNDThe development of integrated continuous biomanufacturing processes faces a significant challenge when the parameters for the design of the process cannot be accurately estimated from those of batch experiments. Process design is even more challenging if the outcome of one unit operation highly influences the performance of the subsequent one, such as in harvesting of a precipitate by filtration. In the case of protein precipitation, results from the batch and continuous experiements deviate and their scale‐down is limited. Microfluidics suffer from poor mixing characteristics. Thus, milliscale devices were developed to maintain mixing performance but at the expense of a slightly larger scale.RESULTSMilliscale devices were developed for the precipitation of antibodies in continuous tubular reactors to compare different dosage times in small scale. The reactors have multiple addition points for precipitant for the continuous, controlled and precise addition of the precipitating agent without valves. The designed devices have a narrow residence time distribution to achieve fast mixing and a small volume that reduces the time and cost for experiments tenfold. Milliscale devices were used to evaluate the most appropriate dosage time for protein precipitation, thus improving purity by a factor of 3 compared to single addition. The resulting filterability of precipitates in tangential flow filtration and depth filtration was improved.CONCLUSIONResults demonstrated that multiple additions were more beneficial than single addition because they help to reduce pressure and increase filter capacity. Such devices can be used to determine and adjust the precipitation methodology to optimize floc formation and improve solid–liquid separation while reducing development time and cost. © 2022 The Authors. Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).
Intravenous combined with intrabiliary contrast‐enhanced ultrasound in the evaluation of resectability of hilar cholangiocarcinomas
Authors: Jianxiong Wang , Yu Wu , Juyi Wang , Guangxia Wang 
Published: July 2022

AbstractObjectiveTo investigate the application value of combined intravenous contrast‐enhanced ultrasound (IV‐CEUS) with intrabiliary contrast‐enhanced ultrasound (IB‐CEUS) in the preoperative evaluation of hilar cholangiocarcinoma (HCCA) resectability.MethodsClinical data from 82 patients with HCCA confirmed by surgery and pathology were retrospectively analyzed. Preoperative IV‐CEUS + IB‐CEUS and magnetic resonance cholangiopancreatography (MRCP) were performed and the results were compared with surgical and pathological findings.ResultsThe accuracy of the Bismuth‐Corlette classification confirmed by IV‐CEUS + IB‐CEUS and MRCP was 95.12% (78/82) and 87.8% (72/82), respectively. The diagnostic precision of IV‐CEUS + IB‐CEUS was better than MRCP (p = 0.001). The sensitivity, specificity, and precision of CEUS for diagnosing lymph node metastases (72.7%, 93.3%, and 87.8%), intrahepatic metastases (78.6%, 98.5%, and 93.9%), invasion of the hepatic artery (92.9%, 98.5%, and 97.6%) and invasion of the portal vein (93.8%, 98.5%, and 97.6%) of HCCA were, respectively. The consistency between the preoperative evaluation of resectability confirmed by IV‐CEUS +IB‐CEUS and MRCP was 85.4% (70/82) and 78.0% (64/82), respectively. In addition, the evaluations did not have statistically significant differences (p > 0.05). There were no significant differences between the two evaluations (p = 0.266).ConclusionIV‐CEUS combined with IB‐CEUS has significant value in classifying HCCA and evaluating the resectability of lymph node metastases, liver metastases, and vessel invasion.
Atomic force microscopy application to study of the biomechanical properties of the aortic intima in the context of early atherosclerosis
Authors: He Yin , Qin Chuanyu , Sun Zhifu , Liu Zesen , Chen Yan , Meng Kang 
Published: July 2022

AbstractAtherosclerosis is characterized by the infiltration of macrophages, accumulation of lipids, activation of endothelial cells and synthesis of extracellular matrix by vascular smooth muscle cells. However, there have been few atomic force microscopy (AFM) studies of the aortic intima in situ in the context of atherosclerosis. By employing a customized liquid cell for AFM, we investigated the aortic intima obtained from male C57BL/6 ApoE‐deficient mice (ApoE−/−) aged 14 weeks and male C57BL/6 ApoE‐sufficient mice (ApoE+/+) aged between 18 and 26 weeks that were fed a high‐fat and high‐cholesterol diet for 4 weeks and performed force spectroscopy mapping of the biomechanical properties of the intima. In the aortas of ApoE‐deficient mice, the intima became stiffer than that of ApoE‐sufficient mice. In addition, the cytoskeleton of endothelial cells was enlarged, and extracellular matrix accumulated. The biomechanical properties of the aortic intima are altered in early atherogenesis, which may be induced by the enlargement of the endothelial cell cytoskeleton and the increased synthesis of extracellular matrix by activated smooth muscle cells.
Design, and synthesis of N‐benzyl spiro‐piperidine hydroxamic acid‐based derivatives: Histone deacetylase inhibitory activity and drug‐likeness prediction
Authors: Kurapati Chidvilas , Paidikondala Kalyani , Badavath Vishnu Nayak , Parveen Sabnam , Singh Om V. , Gundla Rambabu 
Published: July 2022

AbstractNonselective histone deacetylase (HDAC) inhibitors show dose‐limiting side effects due to the inhibition of multiple, essential HDAC subtypes that can be limited by selective inhibitors. We herein synthesized a new series of N‐benzyl spiro‐piperidinehydroxamic acid‐based derivatives, which have been identified as a zinc‐binding group by combining privileged structures with hydroxamic acid and N‐benzyl spiro‐piperidine. All the synthesized compounds had good antiproliferative activity against various tumor cell lines and were non‐toxic to the normal cells, AD293. Compound with halogen substitution (8i: 2,4‐dichloro and 8k: 2,4‐difluoro) shown 101.5‐ and 108‐fold selectivity towars HDAC6 inhibition over HDAC8 in‐vitro fluorometric‐based assay and compared with Tubastatin A. The obtained in‐vitro results were in agreement with molecular docking studies. The identified novel compounds occupy the catalytic domain of HDAC6 selectively and shed light on the role of both chlorine and fluorine instead of fluorination on benzohydroxamate‐based (ACS Med. Chem. Lett. 2021, 12(11), 1810–1817) structure over class I isoforms. These obtained results can be used in the design of novel, highly selective HDAC6 inhibitors.
Cognitive Challenges Are Better in Distinguishing Binge From Nonbinge Drinkers: An Exploratory Deep‐Learning Study of fMRI Data of Multiple Behavioral Tasks and Resting State
Authors: Li Guangfei , Zhang Zhao , Chen Yu , Wang Wuyi , Bi Jinbo , Tang Xiaoying , Li Chiang‐Shan R. 
Published: July 2022

BackgroundStudies have identified imaging markers of binge drinking. Functional connectivity during both task challenges and resting state was shown to distinguish binge and nonbinge drinkers. However, no studies have compared the efficacy of task and resting data in the classification.HypothesisTask outperforms resting‐state functional magnetic resonance imaging (fMRI) data in the differentiation of binge and nonbinge drinkers. We tested the hypothesis via multiple deep learning algorithms.Study TypeCross‐sectional; retrospective.PopulationA total of 149 binge (107 men) and 151 demographically matched, nonbinge (92 men) drinkers curated from the Human Connectome Project, with 80% randomly selected for model development and 20% for validation/test.Field Strength/SequenceA 3 T; fMRI with a blood oxygen level‐dependent (BOLD) gradient‐echo echo‐planar sequence.AssessmentFMRI data of resting state and seven behavioral tasks were acquired. Graph convolutional network (GCN), long short‐term memory, convolutional, and recurrent neural network models were built to distinguish bingers and nonbingers using connectivity matrices of 8, 116, and 268 regions of interest (ROI). Nodal metrics including betweenness centrality, degree centrality, clustering coefficient, efficiency, local efficiency, and shortest path length were calculated from the GCN model.Statistical TestsModel performance was quantified by the area under the curve (AUC) in receiver operating characteristic analysis. A P value < 0.05 was considered statistically significant.ResultsTask outperformed resting data in classification by approximately 8% by AUC in the test set. Across models and ROI sets, the gambling, motor, language and working memory tasks, each with AUC of 0.614, 0.612, 0.605, and 0.603, performed better than resting data (AUC = 0.548). Models with 116 ROIs (AUC = 0.602) consistently outperformed those with 8 ROIs (AUC = 0.569). Task data performed best with GCN (AUC = 0.619). Nodal metrics of left supplementary motor area and right cuneus showed significant group main effect across tasks.ConclusionNeural responses to cognitive challenges relative to resting state better characterize binge drinking. The performance of different network models may depend on behavioral tasks and the number of ROIs.Evidence Level3Technical EfficacyStage 2
Clinical and electrocardiographic characteristics in patients with fulminant myocarditis
Authors: Itoh Tomonori , Kobayashi Takamasa , Oshikiri Yuya , Arakawa Yumeka , Satoh Mamoru , Morino Yoshihiro 
Published: July 2022

AbstractBackgroundThe purpose of this study was to evaluate clinical and electrocardiographic characteristics in patients with fulminant myocarditis.MethodsA total of 72 patients were divided into three groups: pericarditis (control: n = 25), acute myocarditis (n = 27), and fulminant myocarditis (n = 20). Patients' characteristics and electrocardiograms on admission were retrospectively analyzed in the three groups.ResultsBNP levels in the fulminant group were significantly higher than those in the other two groups. ST elevation was observed at lead aVR in the fulminant myocarditis group, whereas ST depression was observed at lead aVR in the other groups (p = .001). The maximum degree of ST elevation among the three groups was similar. However, the number of ST‐elevation leads in the fulminant myocarditis group was significantly lower than that in the other groups (p = .004). The voltage of R wave in lead V5 in the fulminant myocarditis group was significantly lower than that in the other groups (p = .005). Moreover, in the Cabrera sequence, the prevalence of ST elevation in the inferior leads, aVR, and V3–V6 in the fulminant myocarditis group was significantly or nearly significantly lower than that in the other groups.ConclusionsIn fulminant myocarditis, ST‐segment elevation was observed in lead aVR, and contrarily, the number and extent of ST‐segment elevation and R wave voltage were smaller than those in the other groups. These results suggest that the number of myocytes with maintained action potential may be reduced following progressive myocardial damage and interstitial edema due to severe inflammation.
[Re]thinking outside the box: A meta‐analysis of constraints and creative performance
Authors: Damadzic Adam , Winchester Christopher , Medeiros Kelsey E. , Griffith Jennifer A. 
Published: July 2022

SummaryThe influence of constraints (i.e., barriers or limitations) on creativity has drawn attention from various fields but has largely yielded conflicting findings. Some studies suggest constraints may have a positive impact on creativity while others find a negative impact. In an effort to clarify this debate and provide direction for future efforts, this meta‐analysis examined the relationship between constraints and creativity. Using a sample of 111 published and unpublished studies, a series of random‐effects meta‐regression models and subgroup analyses were conducted and identified a significant positive relationship between constraints and creativity. Moderator analyses confirmed the relationship differed substantially depending on the constraint type, study design, funding status, and creativity operationalization and measurement. These findings suggest that constraints may not be detrimental to creativity, despite prior assumptions. Findings further suggest that constraint type may be less influential than typically assumed. Instead, methodological artifacts provide a better explanation for the varying existing findings in how constraints benefit or hinder creativity. Theoretical and practical implications are discussed.