bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ferrocene‐Induced Perpetual Recovery on All Elemental Defects in Perovskite Solar Cells
Authors: Chang Qing , Wang Fangfang , Xu Wenxin , Wang Aifei , Liu You , Wang Juangan , Yun Yikai , Gao Song , Xiao Kang , Zhang Liangliang , Wang Lin , Wang Jianpu , Huang Wei , Qin Tianshi 
Published: September 2021

AbstractLead halide perovskites always emerge complex interactions among different elemental ions, which lead to multiple intrinsic imperfections. Elemental defects, such as amine, Pb, and I vacancies at A‐, B‐, and X‐sites, are main issues to deteriorate perovskite solar cells (PSCs). Unfortunately, most previous passivators can only temporarily fix partial inactive vacancies as sacrificial agents. Herein, we propose a recovery agent, ferrocene (Fc), which can form a one‐dimensional perovskite with adequate steric cavities and suitable dissociation energy to recover all elemental defects back to active light‐harvesting perovskites, and regenerate Fc itself meanwhile. Based on this perpetual chain‐reaction cycle, corresponding PSCs maintain >10 000‐hour lifetime in inert condition and >1000‐hour durabilities under various extreme environments, including continuous 85 °C heating, 50 % relative humidity wetting, and 1‐sun light soaking.
Effect of nano‐silver coated carbon black on curing, mechanical, antimicrobial, and electrical properties of natural rubber composite
Authors: Sukthavorn Kankavee , Nootsuwan Nollapan , Jongrungruangchok Suchada , Veranitisagul Chatchai , Koonsaeng Nattamon , Laobuthee Apirat 
Published: September 2021

AbstractNano‐silver coated carbon black (Ag/CB) was prepared via the green coating process and used as a multifunctional additive in natural rubber (NR). The Ag/CB was mixed with NR in varying amounts of 10, 20, and 30 parts per hundred rubber. Curing characteristics, morphology, mechanical and antimicrobial properties, and electrical conductivity of the rubber composites were investigated. Scorch time and cure time of the rubber compounds decreased, while the curing rate index did not change significantly with increasing amounts of Ag/CB. Hardness, tensile strength, and 100% and 300% moduli of rubber composites increased, while elongation at break decreased with increasing amounts of Ag/CB due to good dispersion of Ag/CB particles in the NR matrix. The Ag/CB particles also enhanced the antimicrobial properties of the NR composites, especiallyStaphylococcus aureusas the gram‐positive bacteria andCandida albicansas the fungus. Addition of Ag/CB also enhanced the electrical conductivity of the rubber composites.
Synthesis, characterization, and spectroscopic properties of 2‐(3,5,6‐trichloro‐1,4‐benzoquinon‐2‐yl)‐neo‐fused hexaphyrin
Authors: Gao Shimin , Li Qizhao , Baryshnikov Glib , Ågren Hans , Xie Yongshu 
Published: September 2021

AbstractIn this work, a novel compound 2‐(3,5,6‐trichloro‐1,4‐benzoquinon‐2‐yl)‐neo‐fused hexaphyrin has been prepared from tetrachloroquinone and neo‐fused hexaphyrin through a substitution reaction. The chemical structure of the compound has been characterized by nuclear magnetic resonance (NMR), high‐resolution mass spectrum, UV–Vis spectrum, and X‐ray diffraction. The crystal structure reveals that the quinonyl unit is almost coplanar with the adjacent N‐confused pyrrole unit. Because of the cooperative effect of extended conjugation and the intramolecular charge transfer effect related to the strong electron‐withdrawing character of the quinonyl unit, the absorption of 2 is dramatically extended to ca. 1280 nm.
Efficient Linear dsDNA Tagging Using Deoxyuridine Excision**
Authors: Strobel Eric J. 
Published: September 2021

AbstractSite‐specific strategies for exchanging segments of dsDNA are important for DNA library construction and molecular tagging. Deoxyuridine (dU) excision is an approach for generating 3’ ssDNA overhangs in gene assembly and molecular cloning procedures. Unlike approaches that use a multi‐base pair motif to specify a DNA cut site, dU excision requires only a dT→dU substitution. Consequently, excision sites can be embedded in biologically active DNA sequences by placing dU substitutions at non‐perturbative positions. In this work, I describe a molecular tagging method that uses dU excision to exchange a segment of a dsDNA strand with a long synthetic oligonucleotide. The core workflow of this method, called deoxyUridine eXcision‐tagging (dUX‐tagging), is an efficient one‐pot reaction: strategically positioned dU nucleotides are excised from dsDNA to generate a 3’ overhang so that additional sequence can be appended by annealing and ligating a tagging oligonucleotide. The tagged DNA is then processed by one of two procedures to fill the 5’ overhang and remove excess tagging oligo. To facilitate its widespread use, all dUX‐tagging procedures exclusively use commercially available reagents. As a result, dUX‐tagging is a concise and easily implemented approach for high‐efficiency linear dsDNA tagging.
Design of a Full‐Consensus Glutamate Decarboxylase and Its Application to GABA Biosynthesis
Authors: Takagi Hiroshi , Kozuka Kohei , Mimura Kenta , Nakano Shogo , Ito Sohei 
Published: September 2021

AbstractGlutamate decarboxylase (GAD) catalyses the decarboxylation of L‐glutamate to gamma‐aminobutyric acid (GABA). Improvement of the enzymatic properties of GAD is important for the low‐cost synthesis of GABA. In this study, utilizing sequences of enzymes homologous with GAD from lactic acid bacteria, highly mutated GADs were designed using sequence‐based protein design methods. Two mutated GADs, FcGAD and AncGAD, generated by full‐consensus design and ancestral sequence reconstruction, had more desirable properties than native GADs. With respect to thermal stability, the half‐life of the designed GADs was about 10 °C higher than that of native GAD. The productivity of FcGAD was considerably higher than those of known GADs; more than 250 mg/L of purified enzyme could be produced in the E. coli expression system. In a production test using 26.4 g of l‐glutamate and 3.0 g of resting cells, 17.2 g of GABA could be prepared within one hour, without purification, in a one‐pot synthesis.
Synthesis and Hydrogen‐Bond Patterns of Aryl‐Group Substituted Silanediols and ‐triols from Alkoxy‐ and Chlorosilanes
Authors: Kannengießer Jan‐Falk , Briesenick Max , Meier Dennis , Huch Volker , Morgenstern Bernd , Kickelbick Guido 
Published: September 2021

AbstractOrganosilanols typically show a high condensation tendency and only exist as stable isolable molecules under very specific steric and electronic conditions at the silicon atom. In the present work, various novel representatives of this class of compounds were synthesized by hydrolysis of alkoxy‐ or chlorosilanes. Phenyl, 1‐naphthyl, and 9‐phenanthrenyl substituents at the silicon atom were applied to systematically study the influence of the aromatic substituents on the structure and reactivity of the compounds. Chemical shifts in29Si NMR spectroscopy in solution, correlated well with the expected electronic situation induced by the substitution pattern on the Si atom.1H NMR studies allowed the detection of strong intermolecular hydrogen bonds. Single‐crystal X‐ray structures of the alkoxides and the chlorosilanes are dominated by π‐π interactions of the aromatic systems, which are substituted by strong hydrogen bonding interactions representing various structural motifs in the respective silanol structures.
A New Metric for Evaluating DFT Calculated Proton and Carbon Chemical Shifts of Natural Products and Organic Compounds
Authors: Pierens Gregory K. 
Published: September 2021

AbstractThe calculation of DFT (density functional theory) chemical shifts have become an important technique for the verification of a proposed structure. An easily calculated metric developed for proton and carbon chemical shifts of natural products and organic compounds, the calculated chemical shift index (CCSI), has been developed, which uses the deviation of each pair of calculated and experimental chemical shifts. The mean absolute deviation (MAD), which is commonly used as the goodness of fit metric for DFT calculated chemical shifts, can conceal large deviations in the calculated data. A classification strategy is also proposed for the CCSI to highlight when further assessment of the NMR data is required.
Evaluation of exposure to environmental stressors on heat‐shock protein 70 expression in normal oral keratinocyte cells
Authors: Sheykhbahaei Nafiseh , Koopaie Maryam , Ansari Mandana 
Published: September 2021

AbstractObjectivesThis study aimed to investigate the effect of cortisol, estrogen, and nicotine on heat shock protein 70 (HSP70) expressions at the level of normal oral mucosa keratinocyte cells.MethodsIn this in vitro study, keratinocytes were derived from rat oral cavity and cultured. Stressors were applied, including three groups, group 1: estrogen to simulate the postmenopausal state; group 2: cortisol to simulate psychological stress situation; group 3: nicotine to simulate smoking state. To determine the exact nature of keratinocyte cells, two surface markers, cytokeratin 18 and cytokeratin 14 were examined using the flow cytometry method. Then, the immunocytochemistry technique with three repetitions in each group was used to evaluate the HSP70 expression before and after applying the stressor.ResultsHSP70 expressions in the three stressor groups (estrogen, cortisol, and nicotine) were significantly lower than in the control group (p = 0.0001). The HSPs expression difference between cortisol and nicotine was statistically significant (p = 0.0001). Based on the results of MTT analysis, the mean cell viability of oral mucosal keratinocytes in all three intervention groups decreased compared to the control group. In the cortisol and nicotine groups, cell death was significantly higher than in the control group. In the estrogen group, cell death was significantly lower than in the nicotine group (p > 0.05).ConclusionsThe specific concentrations of cortisol, estrogen, and nicotine as stressors can effectively reduce the expression of HSP70 in normal oral mucosal keratinocytes. These phenomena can be effective in cell viability and the development of oral lichen planus.
Supranutritional selenium suppresses ROS‐induced generation of RANKL‐expressing osteoclastogenic CD4+ T cells and ameliorates rheumatoid arthritis
Authors: Qin Jiahuan , Huang Xia , Wang Naiqi , Zhou Pengcheng , Zhang Hao , Chen Zhian , Liang Kaili , Gong Dongcheng , Zeng Qunxiong , Niu Peng , Chen Anping , Yuan Lin , Yang Zhaohui , Su Linchong , Shen Nan , Deng Jun , Yu Di 
Published: September 2021

AbstractObjectiveThe benefit of Se supplementation in rheumatoid arthritis (RA) has been tested in clinical trials, but results remain inconclusive. The objective of this study was to specifically investigate the potential benefit of supranutritional Se by examining human samples from an area with supranutritional Se intake and testing a mouse model of RA.MethodsPeripheral blood mononuclear cells (PBMCs) from RA patients (N = 57) and healthy controls (HC, N = 71) from an area of supranutritional Se intake (Enshi, Hubei, China) were analysed by flow cytometry. Serum cytokine and Se levels were measured by cytometric beads array (CBA) and inductively coupled plasma mass spectrometry (ICP‐MS), respectively. With sufficient or supranutritional selenium intake, mice were induced with collagen‐induced arthritis (CIA) and examined for disease activity and immunopathology. The influence of Se supplementation in the generation of RANKL‐expressing osteoclastogenic CD4+ T cells was investigated by in vitro assays.ResultsIn Enshi city, HC showed the above‐normal concentrations of serum Se concentrations while RA patients were enriched in the normal range (70–150 ng mL−1) or below. RA patients with higher Se levels demonstrated milder disease and lower levels of C‐reactive protein, IL‐6, RANKL and Th17 cells. In the mouse CIA model, supranutritional Se supplementation delayed disease onset, ameliorated joint pathology and reduced CD4+CD44+RANKL+ T cells. Se supplementation could suppress RANKL expression in cultured mouse Th17 cells.ConclusionSupranutritional Se suppresses RANKL‐expressing osteoclastogenic CD4+ T cells and could be beneficial to RA, which warrants formal testing in randomised clinical trials.
The equine metabolism of the catechol‐O‐methyltransferase enzyme inhibitor nitecapone
Authors: Stanley Shawn , Deng Derek , Van den Berg Koos , Foo Hsiao Ching 
Published: September 2021

AbstractThe abuse of performance‐enhancing catecholamine‐based stimulants, such as levodopa, is controlled in horse racing through the application of a regulatory threshold for the common major metabolite. However, catechol‐O‐methyltransferase (COMT) enzyme inhibitors can be used to restrict the catalysis of the stimulant, and so the concurrent administration of both substances would be a viable strategy to enhance racing performance while removing the risk of exceeding the threshold. A 200 mg dose of nitecapone, a COMT inhibitor, was administered to a Thoroughbred horse, and we have analysed the blood (≤24 h) and urine (≤48 h) samples that were collected. The extracts, analysed by UHPLC coupled to a high‐resolution accurate mass spectrometer, were consistent with the presence of nitecapone glucuronide in all the samples collected. An in‐depth examination of the samples was then carried out using targeted accurate mass extracted ion chromatograms to identify whether the metabolites that have been found in other species were also present in the extracts. Once these were tentatively identified, MS/MS experiments were conducted on some of the metabolites (M1–M5), as well as decomposition products (DP1 and DP2), to verify that spectrum included MS fragments were consistent with their proposed structures. The accumulated data provided evidence that is consistent with this drug having been converted into many metabolites and a few decomposition products. An unexpected finding was that O‐methylation was a very minor pathway until after the reduction of the 2,4‐pentanedione side chain had occurred.
Additive genetic variance for traits least related to fitness increases with environmental stress in the desert locust,Schistocerca gregaria
Authors: Chapuis Marie‐Pierre , Pélissié Benjamin , Piou Cyril , Chardonnet Floriane , Pagès Christine , Foucart Antoine , Chapuis Elodie , Jourdan‐Pineau Hélène 
Published: September 2021

AbstractUnder environmental stress, previously hidden additive genetic variation can be unmasked and exposed to selection. The amount of hidden variation is expected to be higher for life history traits, which strongly correlate to individual fitness, than for morphological traits, in which fitness effects are more ambiguous. However, no consensual pattern has been recovered yet, and this idea is still debated in the literature. Here, we hypothesize that the classical categorization of traits (i.e., life history and morphology) may fail to capture their proximity to fitness. In the desert locust,Schistocerca gregaria, a model organism for the study of insect polyphenism, we quantified changes in additive genetic variation elicited by lifetime thermal stress for ten traits, in which evolutionary significance is known. Irrespective of their category, traits under strong stabilizing selection showed genetic invariance with environmental stress, while traits more loosely associated with fitness showed a marked increase in additive genetic variation in the stressful environment. Furthermore, traits involved in adaptive phenotypic plasticity (growth compensation) showed either no change in additive genetic variance or a change of moderate magnitude across thermal environments. We interpret this mitigated response of plastic traits in the context of integrated evolution to adjust the entire phenotype in heterogeneous environments (i.e., adaptiveness of initial plasticity, compromise of phenotypic compensation with stress, and shared developmental pathway). Altogether, our results indicate, in agreement with theoretical expectations, that environmental stress can increase available additive genetic variance in some desert locust traits, but those closely linked to fitness are largely unaffected. Our study also highlights the importance of assessing the proximity to fitness of a trait on a case‐by‐case basis and in an ecologically relevant context, as well as considering the processes of canalization and plasticity, involved in the control of phenotypic variation.
Porous Organic Compounds – Small Pores on the Rise
Authors: Kunde Tom , Pausch Tobias , Schmidt Bernd M. 
Published: September 2021

AbstractPorous materials are important for various energy‐related technologies such as catalysis and separation. While porous organic cage compounds are a rather recent addition to the field of porous materials, these discrete nanocavities have since emerged as a versatile functional‐materials platform, facilitated by the solubility of the materials in common organic solvents. In contrast to other frameworks, organic cages are assembled first from modular building blocks in solution and then packed in the solid‐state in a next step. In this minireview, we highlight examples of porous organic cages with focus on how the intrinsic nanopore can be controlled and utilized, especially focusing on their synthesis and the gas sorption properties of smaller intrinsic pores of porous organic cage compounds, porous macrocycles, and other related compounds.
Effect of omega‐3 fatty acids supplementation on indirect blood markers of exercise‐induced muscle damage: Systematic review and meta‐analysis of randomized controlled trials
Authors: Xin Gao , Eshaghi Hesam 
Published: September 2021

AbstractBackgroundOmega 3 fatty acids supplementation may have an attenuative effect on exercise‐induced muscle damage (EIMD) through the cell membrane stabilization. The purpose of the present meta‐analysis was to evaluate the effects of omega 3 fatty acids supplementation, on indirect blood markers of muscle damage following EIMD in trained and untrained individuals.MethodsScopus, Medline, and Google scholar systematically searched up to January 2021. The Cochrane Collaboration tool was used for the quality of studies. Random‐effects model, weighted mean difference (WMD), and 95% confidence interval (CI) were applied for the overall effect estimating. The heterogeneity between studies was evaluated applying the chi‐squared and I2statistic.ResultsThe outcomes showed a significant effect of omega 3 supplementation on reducing creatine kinase (CK), lactate dehydrogenase (LDH), and myoglobin (Mb) concentrations. In addition, a subgroup analysis indicated a significant reduction in CK, LDH, and Mb concentrations, based on follow‐ups after exercise, studies duration, time of supplementation, and training status.ConclusionThe current meta‐analysis indicated an efficacy of omega 3 in reducing CK, LDH, and Mb serum concentration among healthy individuals, overall and in subgroups analysis. Thus, omega 3 should be considered as a priority EIMD recovery agent in interventions.
Airway cilia recovery post lung transplantation
Authors: Suryadinata Randy , Levin Kovi , Holsworth Lynda , Paraskeva Miranda , Robinson Philip 
Published: September 2021

AbstractBackgroundNormally functioning airway cilia is essential for efficient mucociliary clearance to protect the airway from various insults. Impaired clearance may lead to increased risk of infections and progressive lung damage. Significant morbidity in the immediate post lung transplantation period is associated with airway infection, which we hypothesize may be caused by impaired cilia function.MethodsAirway cilia beating pattern (CBP) and frequency (CBF) were studied on brushing samples taken from above and below the transplant anastomosis of adult lung transplant recipients (n = 20) during routine bronchoscopies at 6, 12, and 26 weeks posttransplant. Bronchoaveolar Lavage (BAL) samples were also collected at each time points.ResultsAt 6 weeks posttransplant (n = 16), CBP from the donated lung showed reduced beating amplitude with the overall CBF 2.28 Hz slower than the patients' native upper airway cilia (median ± SIQR: 5.36 ± 0.93 Hz vs. 7.64 ± 0.92 Hz, p value < .001). At 12 weeks (n = 16), donor lungs CBP showed recovery with the difference in CBF reduced to 0.74 Hz (6.36 ± 1.46 Hz vs. 7.10 ± 0.86 Hz, p value < .05). Impaired cilia function was not associated with positive BAL cultures.ConclusionReduced cilia function is evident in the first 12 weeks post lung transplant, with both CBP and CBF returning to levels of function indistinguishable to the patients' upper airway cilia beyond this time.
MicroRNA‐210 repression facilitates advanced glycation end‐product (AGE)‐induced cardiac mitochondrial dysfunction and apoptosis via JNK activation
Authors: Lin Kuan‐Ho , Ng Shang‐Chuan , Paul Catherine R. , Chen Hong‐Chen , Zeng Ren‐You , Liu Jian‐Sheng , Padma Viswanadha V. , Huang Chih‐Yang , Kuo Wei‐Wen 
Published: September 2021

AbstractHyperglycemia results in the formation of reactive oxygen species which in turn causes advanced glycation end products (AGEs) formation, leading to diabetic cardiomyopathy. Our previous study showed that AGE‐induced reactive oxygen species‐dependent apoptosis is mediated via protein kinase C delta (PKCδ)‐enhanced mitochondrial damage in cardiomyocytes. By using microRNA (miRNA) database, miRNA‐210 was predicted to target c‐Jun N‐terminal kinase (JNK), which were previously identified as downstream of PKCδ in regulating mitochondrial function. Therefore, we hypothesized that miR‐210 mediates PKCδ‐dependent upregulation of JNK to cause cardiac mitochondrial damage and apoptosis following AGE exposure. AGE‐exposed cells showed activated cardiac JNK, PKCδ, and apoptosis, which were reversed by treatment with a JNK inhibitor and PKCδ‐KD (deficient kinase). Cardiac miR‐210 and mitochondrial function were downregulated following AGE exposure. Furthermore, JNK was upregulated and involved in AGE‐induced mitochondrial damage. Interestingly, luciferase activity of the miR‐210 mimic plus JNK WT‐3′‐untranslated region overexpressed group was significantly lower than that of miR‐210 mimic plus JNK MT‐3′UTR group, indicating that JNK is a target of miR‐210. Moreover, JNK activation induced by AGEs was reduced by treatment with the miR‐210 mimic and reversed by treatment with the miR‐210 inhibitor, indicating the regulatory function of miR‐210 in JNK activation following AGE exposure. Additionally, JNK‐dependent mitochondrial dysfunction and apoptosis were reversed following treatment with the miR‐210 mimic, while the miR‐210 inhibitor showed no effect on JNK‐induced mitochondrial dysfunction and apoptosis in AGE‐exposed cardiac cells. Taken together, our study showed that PKCδ‐enhanced JNK‐dependent mitochondrial damage is mediated through the reduction of miR‐210 in cardiomyocytes following AGE exposure.
New prognostic factor for hepatitis B virus‐related decompensated cirrhosis: Ratio of monocytes to HDL‐cholesterol
Authors: Wu Qianxia , Mao Weilin 
Published: September 2021

AbstractAimHepatitis B virus‐related decompensated cirrhosis (HBV‐DeCi) has a high mortality rate, and it remains a challenge to predict its outcomes in clinical practice. We aimed to determine the association between monocyte‐to‐HDL‐cholesterol ratio (MHR) and short‐term prognosis in HBV‐DeCi patients.MethodsA total of 145 HBV‐DeCi patients were enrolled. A multivariate analysis was performed to identify predictors of mortality. The findings were validated by a receiver operating characteristic analysis using the area under the curve (AUC).ResultsA total of 20 (13.8%) patients had died 30 days after admission. MHR was markedly increased in the non‐survivors compared with the survivors. In the multivariate analysis, MHR was identified as an independent risk factor for mortality, with a significant predictive value (AUC = 0.825; sensitivity, 90.0%; specificity, 62.4%).ConclusionsElevated MHR is associated with increased mortality rate in HBV‐DeCi patients.