bluuebunny/crossref_metadata_2025_split huggingface dataset:
Li2S4 Anchoring Governs the Catalytic Sulfur Reduction on Defective SmMn2O5 in Lithium–Sulfur Battery
Authors: Wang Li , Hu Zhonghao , Wan Xiang , Hua Wuxing , Li Huan , Yang Quan‐Hong , Wang Weichao 
Published: April 2022

AbstractThe introduction of sulfur redox electrocatalysts has been considered to be an effective strategy to anchor polysulfides on the cathode and reduce the energy barriers of the reactions. Due to the complexity of sulfur redox reactions (SRR/SER), there exist few descriptors to correlate the catalytic performance and the underlying electronic structures of a given catalyst, which inhibits the development of lithium−sulfur catalysts. In this article, upon mullite oxide SmMn2O5 with various substitutional defects, density functional theory calculations are used to probe the structure–property relationships. It is found that there exists no scaling relationship among the polysulfide binding energies, indicating that the catalytic performance can be tuned by a key intermediate individually. Statistical analysis of various models with different S‐containing intermediates shows that only the Li2S4 binding energy has a linear correlation with the overpotential, showing the dominant role of Li2S4 anchoring to determine the catalytic performance. The electronic structure analysis combined with machine learning further quantitatively verifies the coeffect of charge transfer, electronegativity, and work function on the binding strength of the polysulfide Li2S4. This work provides a theoretical understanding of the complex SRR/SER mechanisms and sheds light on the rational design of a sulfur redox catalyst.
Semitransparent Organic Solar Cells with Efficiency Surpassing 15%
Authors: Jing Jianhua , Dong Sheng , Zhang Kai , Zhou Zhisheng , Xue Qifan , Song Yu , Du Zurong , Ren Minrun , Huang Fei 
Published: April 2022

AbstractSemitransparent organic solar cells (ST‐OSCs) have promising prospects for building or vehicle integrated solar energy harvesting with energy generation and see‐through function. How to achieve both an adequate average visible transmittance (AVT) and high‐power conversion efficiency (PCE) is always the key issue. Herein, a simple but effective strategy for constructing high performance ST‐OSCs by introducing a small molecule [2‐(9‐H‐Carbazol‐9‐yl) ethyl] phosphonic acid (2PACz) into a low‐donor content active layer is reported. The fill factor is improved from 70.5% to 75.5% and correlated to the mitigated charge recombination and strengthened charge extraction, further ascribed to the enhanced build‐in potential, reduced charge transport resistance, and favorable film morphology. By combining the unique nature of 2PACz, that can spontaneously form in situ self‐organized hole transport interlayers under bulk‐heterojunction films, PEDOT‐free ST‐OSCs with a PCE of 15.2%, amongst the highest values in this field, is achieved with an AVT of 19.2%. Moreover, an outstanding light utilization efficiency of 3.39% is also obtained with an AVT of 30.0% and a PCE of 11.3% in a translucent device by tuning the electrode. The work demonstrates a new and simple strategy for achieving excellent AVT and PCE in ST‐OSCs with simplified device structure.
Investigation and Suppression of Oxygen Release by LiNi0.8Co0.1Mn0.1O2 Cathode under Overcharge Conditions
Authors: Shi Chen‐Guang , Peng Xinxing , Dai Peng , Xiao Penghao , Zheng Wei‐Chen , Li Hong‐Yang , Li Hang , Indris Sylvio , Mangold Stefan , Hong Yu‐Hao , Luo Chen‐Xu , Shen Chong‐Heng , Wei Yi‐Min , Huang Ling , Sun Shi‐Gang 
Published: April 2022

AbstractThe safety issue of lithium‐ion batteries is a crucial factor limiting their large‐scale application. Therefore, it is of practical significance to evaluate the impact of their overcharge behavior because of the severe levels of oxygen release of cathode materials during this process. Herein, by combining a variety of in situ techniques of spectroscopy and electron microscopy, this work studies the structural degradation of LiNi0.8Co0.1Mn0.1O2 (NCM811) accompanying the oxygen release in the overcharge process. It is observed that a small amount of O2 evolves from the initial surface at ≈4.7 V. When charging to a higher voltage (≈5.5 V), a large amount of O2 evolves on the newly formed surface due to the occurrence of microcracks. Based on experimental results and theoretical calculations, it is determined that the oxygen release mainly occurs in the near‐surface regions, where the remaining oxygen vacancies accumulate to create voids. To suppress the oxygen release, single‐crystalline NCM811 with integrated structure is introduced and serves as a cathode, which can effectively inhibit morphology destruction and reduce the activation of lattice oxygen in the surface region. These findings provide a theoretical basis and effective strategy for improving the safety performance of Ni‐rich cathode materials in practical applications.
Surface Design with Cation and Anion Dual Gradient Stabilizes High‐Voltage LiCoO2
Authors: Huang Weiyuan , Zhao Qi , Zhang Mingjian , Xu Shenyang , Xue Haoyu , Zhu Chen , Fang Jianjun , Zhao Wenguang , Ren Guoxi , Qin Runzhi , Zhao Qinghe , Chen Haibiao , Pan Feng 
Published: April 2022

AbstractLiCoO2(LCO) is the most successful cathode material for commercial lithium‐ion batteries. Cycling LCO to high potentials up to 4.5 V or even 4.6 V can significantly elevate the capacity but cause structural degradation due to the serious surface side reaction between the highly oxidized Co4+and O−species with organic electrolytes. To tackle this concern, a new strategy, constructing cation and anion dual gradients at the surface of LCO (DG‐LCO), is proposed. Specifically, the electrochemically inactive cation and anion are selected to substitute Co3+and O2−at the surface in a gradated manner, thus minimizing the highly oxidized Co4+and O−species at high potentials and suppressing the induced surface side reactions. Unexpectedly, this dual gradient design leads to a spinel‐like surface structure coherently with bulk layered structure, which facilitates Li+diffusion kinetics. Thus, DG‐LCO achieves high capacity and excellent cycling stability at 4.6 V (≈216 mA h g−1at 0.1 C, a capacity retention of 88.6% after 100 cycles in 1.8 A h pouch full cell at 1 C), as well as improved rate capability (≈140 mA h g−1at 5 C). These studies provide useful guidelines for future design of cathode materials with long lifespan and high rate capability.
Simplifying the farm safety net
Authors: Fischer Bart L. , Bryant Henry L. , Raulston James M. , Outlaw Joe L. 
Published: April 2022

AbstractWhile the 2018 Farm Bill allowed producers to choose between Agriculture Risk Coverage (ARC) and Price Loss Coverage (PLC) annually, those decisions can be quite difficult to make. The purpose of this paper is to explore options for simplifying (or eliminating) the decision between ARC and PLC. Specifically, we examine the cost of (1) giving producers the maximum of ARC and PLC and (2) simply giving producers both ARC and PLC. The results indicate the 10‐year cost of implementing either option costs far less than the recent short‐term, ad hoc assistance provided to producers over the past few years.
Optimal operation of heat exchanger networks through energy flow redistribution
Authors: Mohanan Karthika , Jogwar Sujit S. 
Published: April 2022

AbstractThis article presents a novel energy flow redistribution methodology to achieve optimal operation of heat exchanger networks. The proposed method aims to manipulate the propagation path of a disturbance through the network to reduce its impact on utility consumption. Specifically, an optimization problem is formulated to generate new duty targets for heat exchangers of the network when a disturbance is encountered. Subsequently, a feedback control system is designed to track these targets by manipulating bypasses around the process heat exchangers. The effectiveness of the proposed framework is illustrated with the help of three benchmark examples. The proposed approach can handle disturbances in inlet as well as target temperature, inlet flow and heat transfer coefficient of individual heat exchangers.
Modeling char surface area during coal pyrolysis: Validation of relationship between pore structure and polymer network
Authors: Yang He , Yang Yahui , Yin Yiyang , Wang Yiming , Shang Yan , Jin Lijun , Li Yang , Hu Haoquan 
Published: April 2022

AbstractThe relationship between pore structure and polymer network during coal pyrolysis was studied by analyzing the evolution of microcrystal, pore structure, and functional groups of char prepared from Naomaohu subbituminous coal by a drop‐tube furnace reactor at 600–1000°C. The char specific surface area changes little with aliphatic bridge cleaving at temperatures lower than 700°C; starts to increase at 800°C with the beginning of side chain cleaving; then reaches the maximum with the methyl and methylene content together at 900°C; finally decreases with the further cleaving of aliphatic structures at higher temperatures. Moreover, the lattice stacking height is minimum at 900°C, indicating aliphatic structure can reduce the lattice order degree. These phenomena support the assumption in the CPD‐PS model that the side chain cleaving generates open pores and meanwhile reduces the adsorption sites in them, making the char specific surface area first increase and then decrease.
Testosterone deficiency and the risk of anemia: A propensity score–matched analysis
Authors: Lee Jun Ho , Choi Jae Duck , Kang Jung Yoon , Yoo Tag Keun , Park Yeon Won 
Published: April 2022

AbstractObjectiveThere are little data on the endogenous testosterone effect on hemoglobin or hematocrit. Moreover, these data are limited by a cross‐sectional study design, a small participant number, and no adjustment for confounding factors. Therefore, the present study was conducted to address the aforementioned limitations of previous studies using a large dataset and propensity score matched analysis.Materials and MethodsMen who underwent health check‐up were analyzed. Participants were divided into two groups using the cut‐off testosterone value of 3.5 or 3.0 ng/ml according to a previous definition of testosterone deficiency. Using the cutoff testosterone value of 3.5 ng/ml, 966 cases (testosterone levels <3.5 ng/ml) and 7402 controls (testosterone level ≥3.5 ng/ml) were included, but following propensity score matching, there were 966 cases and 1932 controls. Using the cutoff testosterone value of 3.0 ng/ml, 444 cases (testosterone levels <3.0 ng/ml) and 7924 controls (testosterone level ≥3.0 ng/ml) were included, but following propensity score matching, there were 444 cases and 888 controls.ResultsAfter matching, the groups were evenly distributed with respect to age, body mass index, estimated glomerular filtration rate, hypertension, and diabetes in both data sets. After matching, the mean Hb and Hct were significantly lower and the incidence of anemia was significantly greater in the case compared to the control in both data sets. The relative risk of anemia in the case was 2.4 compared to the control in both data sets.ConclusionScreening for anemia in patients with testosterone deficiency would be needed and vice versa.
Advancements in the characterisation of oligonucleotides by high performance liquid chromatography‐mass spectrometry in 2021: A short review
Authors: Hannauer Fabien , Black Rachelle , Ray Andrew D. , Stulz Eugen , Langley G. John , Holman Stephen W. 
Published: April 2022

AbstractThe first oligonucleotide therapeutic was approved by the Food and Drug Administration in 1998, and since then, 12 nucleic acids have been commercialised as medicines. To be approved, the oligonucleotides need to be identified and characterised as well as its related impurities. Different methods exist, but the most commonly used is ion‐pairing reversed‐phase liquid chromatography with tandem mass spectrometry. The separation obtained depends on the mobile phase and column used. Other methods have been developed, notably by using hydrophilic interaction chromatography and two‐dimensional high performance liquid chromatography. Furthermore, ion‐pairing reversed‐phase high performance liquid chromatography ultra‐violet spectroscopy detection and mass spectrometry has been optimised for the analysis of methylated nucleobases due to the utilisation of this modification in the drugs. This review covers the recent advancements in the analysis and characterisation of oligonucleotides in 2021 by high performance liquid chromatography mass spectrometry, notably by hydrophilic interaction chromatography and two‐dimensional liquid chromatography but also the different parameters that influence the analysis by ion‐pairing reversed‐phase high performance liquid chromatography, the characterisation of methylated nucleobases, and the recent software developed for oligonucleotides.
Patterns of endemism of the Chinese Larentiinae (Lepidoptera: Geometridae)
Authors: Cheng Rui , Xue Dayong , Han Hongxiang , Zhu Chaodong 
Published: April 2022

AbstractChinese Larentiinae is exceptionally rich in species since it spans the Palearctic realm and the Oriental realm, comprising 715 species belonging to 130 genera. Among them, nearly half species are endemic. This taxon is considered an ideal object for the study of endemic patterns. In this study, parsimony analysis of endemicity was used to delineate areas of endemisms (AOEs), and track compatibility analysis (TCA) was used to perform the TCA. Eight AOEs were supported. Except for five AOEs around the Qinghai–Tibet plateau (QTP), two AOEs from northern China and Taiwan islands were found. Twenty‐two generalized tracks were obtained from the combination of the track analysis and the AOEs. The uplift of the QTP was assumed to greatly influence these endemic patterns, presented an appearance of highly centralized endemism and diversity in the eastern and southern edges of the QTP. And the AOE of Mt. Hengduan was considered as a major center of development through recent geological history, where strong evolutionary radiation might have taken place, resulting in the migration routes described by the generalized tracks from this center to various regions in various directions.
Sunlight‐driven antibacterial activity of a novel zinc oxide quantum dot and its optimization using Box–Behnken design—A medicament for communicable disease protective wearables
Authors: Flora Rayappan Mary Nancy , Palani Subramani , Kowsalya Palanimuthu , Chamundeeswari Munusamy 
Published: April 2022

AbstractThe current study focuses on microwave‐assisted zinc oxide quantum dots synthesis (ZnO‐QDs) from zinc oxide bionanocomposite (ZnO‐BC) preparation. The novelty lies in the preparation of ZnO‐QDs, since the natural elements present in ZnO‐BC itself acted as a surface penetration enhancer without using any chemical agent. Under ultraviolet (UV) light ZnO‐QDs emitted a blue glow, confirming the fluorescence property. Using Box–Behnken design, the experimental factors of ZnO‐QDs were optimized, yielding a positive response of 350 nm absorbance and these results also matched with the UV‐visible spectroscopy characterization studies of ZnO‐QDs. Using Escherichia coli, the antibacterial activity of ZnO‐BC in comparison to ZnO‐QDs was determined using the well diffusion method and an inhibition zone ranging from 11 to 23 mm and in the broth assay the OD values were reduced by almost seven and 10 times for ZnO‐BC and ZnO‐QDs, respectively, when compared to the control (untreated). The antibacterial activity demonstrated that our newly prepared BC and its QDs have superior activity when compared to the standard antibiotics such as ampicillin. This type of nanomaterial can be used as a new bioactive natural material with light‐assisted activity for antibacterial coatings in the manufacture of personal protective equipment.
On the recovery of disorders of consciousness under intrathecal baclofen administration for severe spasticity—An observational study
Authors: Halbmayer Lucas‐Michael , Kofler Markus , Hitzenberger Gabriel , Matzak Heinrich , Fava Elena , Genelin Eleonora , Werkmann Mario , Saltuari Leopold , Versace Viviana , Dobesberger Judith , Pucks‐Faes Elke 
Published: April 2022

AbstractBackgroundOccasionally, patients show dramatic recovery from disorders of consciousness (DOC) under intrathecal baclofen (ITB), an established treatment option for severe supraspinal spasticity. Anecdotal explanations for ITB‐related recovery of cognition include modulation of afferent impulses at the spinal level, thereby reducing spasticity‐related proprioceptive information overload within cortico–thalamo–cortical connections.ObjectiveIn this retrospective patient chart analysis, we assessed whether a reduction in spasticity would be associated with an increase in Coma Recovery Scale revised (CRS‐R) scores in a larger sample of patients than previously published.MethodsFrom a hospital‐based ITB treatment register, we extracted data from 26 patients with DOC and severe supraspinal spasticity who improved by >2 points on the Coma Recovery Scale revised (CRS‐R) within 6 months after ITB treatment initiation. We assessed Modified Ashworth scale (MAS) scores and CRS‐R scores on admission (PRE) and 3 and 6 months after initiation of ITB treatment (3M, 6M). We performed correlation analysis of the scores and their respective changes (PRE to 3M, 3M to 6M). We also correlated the time from acute event until ITB initiation to CRS‐R scores at 3M and 6M.ResultsITB led to significant improvement in spasticity based on MAS scores, which did not correlate to the improvements seen in CRS‐R total and subscale scores. Daily ITB dose did neither correlate to MAS scores nor to CRS‐total scores in the whole patient group, but after 3 months, ITB dose correlated to some CRS‐R subscale scores in some patient subgroups. Time until ITB treatment did not correlate to CRS‐R scores later on.ConclusionsOur data confirm that ITB may exert beneficial effects in selected DOC patients with respect to improved cognitive functions, which, however, do not correlate to its antispastic effect. The lack of correlation between time to ITB and CRS‐R outcome, but significant CRS‐R improvements following pump implantation, renders spontaneous remissions unlikely and leaves room for alternative pharmacological mechanisms.
Brain atrophy patterns in multiple sclerosis patients treated with natalizumab and its clinical correlates
Authors: Rekik Arwa , Aissi Mona , Rekik Islem , Mhiri Mariem , Frih Mahbouba Ayed 
Published: April 2022

AbstractBackgroundMultiple sclerosis (MS) is defined as a demyelinating disorder of the central nervous system, witnessing over the past years a remarkable progress in the therapeutic approaches of the inflammatory process. Yet, the ongoing neurodegenerative process is still ambiguous, under‐assessed, and probably under‐treated. Atrophy and cognitive dysfunction represent the radiological and clinical correlates of such process. In this study, we evaluated the effect of one specific MS treatment, which is natalizumab (NTZ), on brain atrophy evolution in different anatomical regions and its correlation with the cognitive profile and the physical disability.MethodsWe recruited 20 patients diagnosed with relapsing‐remitting MS (RR‐MS) and treated with NTZ. We tracked brain atrophy in different anatomical structures using MRI scans processed with an automated image segmentation technique. We also assessed the progression of physical disability and the cognitive function and its link with the progression of atrophy.ResultsDuring the first 2 years of treatment, a significant volume loss was noted within the corpus callosum and the cerebellum gray matter (GM). The annual atrophy rate of the cortical GM, the cerebellum GM, the thalamus, the amygdala, the globus pallidus, and the hippocampus correlated with greater memory impairment. As for the third and fourth years of treatment, a significant atrophy revolved around the gray matter, mainly the cortical one. We also noted an increase of the thalamus volume.ConclusionAtrophy in RR‐MS patients treated with NTZ is regional and targeting highly cognitive regions mainly of the subcortical gray matter and the cerebellum. The cerebellum atrophy was a marker of physical disability progression. NTZ did not accelerate the atrophy process in MS and may play a neuroprotective role by increasing the thalamus volume.
Characterizing Post‐PKS Modifications of 16‐Demethyl‐rifamycin Revealed Two Dehydrogenases Diverting the Aromatization Mode of Naphthalenic Ring in Ansamycin Biosynthesis
Authors: Han Ting‐Yan , Zhang Kai , Tang Gong‐Li , Zhou Qiang 
Published: April 2022

Comprehensive SummaryThe anti‐tuberculous rifamycins belong to naphthalenic ansamycin based on the structure of aromatic chromophore. Herein, we explored the post‐polyketide synthase (PKS) modifications in the biosynthesis of 16‐demethyl‐rifamycins via gene knockout, complementation and in vitro enzyme assays. The collective evidences showed that i) the aromatization of 8‐hydroxyl‐7,8‐dihydronaphtoquinone was accomplished by the combined action of two dehydrogenases, RifS and RifT; ii) the acetylation and methylation of the macrocycle was carried out on naphthoquinone intermediates in preference to naphthol, by Rif‐Orf20 and Rif‐Orf14, respectively; iii) the presence of RifS/T homologs in ansamycin biosynthetic gene clusters corresponds to the dehydrogenation aromatization mode of dihydronaphthalene. These findings cast new insights into the naphthalene formation and post‐PKS modification of ansamycins.
Evaluating visuomotor coordination in children with amblyopia
Authors: Hou Sabrina W. , Zhang Yan , Christian Lisa , Niechwiej‐Szwedo Ewa , Giaschi Deborah 
Published: April 2022

AbstractPast research has reported deficits on reaching and grasping tasks in adults with amblyopia and degraded stereoacuity, but less is known about visuomotor deficits in children—specifically, for complex tasks that require movement sequencing. This study therefore compared the visuomotor performance in 21 children with abnormal binocular vision (patient group) due to amblyopia and/or strabismus to that of 236 children with normal binocular vision development (control group) ages 5–14 years. Visual acuity, stereoacuity, and hand‐movement kinematics on a bead‐threading task were assessed. The patient group showed significantly longer durations than the control group on grasp, thread, and total movement durations. Both groups of participants were then split into immature (ages 5–9 years) and mature (ages 10–14 years) groups based on the maturation age for these parameters in control children. Grasp duration was longer in both mature and immature patient groups; thread and total movement durations were longer in the mature patient group only. Grasp duration was the most disrupted kinematic parameter in children with disrupted binocular vision due to amblyopia and/or strabismus, regardless of age. The level of stereoacuity loss rather than the depth of visual acuity loss was associated with the severity of visuomotor deficits.