bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rapid Identification of Polypeptide from Carbapenem‐Resistant and SusceptibleEscherichia colivia Orbitrap‐MS and Pattern Recognition Analyses
Authors: Sun Bing‐Kang , Wang Rui‐Yu , Li Bei , Fan Xing , Zhou Yuan , Gu Bing , Yan Yang‐Yang 
Published: August 2022

AbstractA rapid and accurate analytical method was established to identify CREC and CSEC. Orbitrap‐MS was used to detect the polypeptide of CREC and CSEC strains, and MS data were analyzed by pattern recognition analyses such as hierarchical cluster analysis (HCA), principal component analysis (PCA), partial least squares discriminant analysis (PLS‐DA), and orthogonal partial least squares discriminant analysis (OPLS‐DA). HCA based on the farthest distance method could well distinguish the two types ofE. coli, and the cophenetic correlation coefficient of the farthest distance method was 0.901. Comparing the results of PCA, PLS‐DA, and OPLS‐DA, OPLS‐DA exhibited the highest accuracy in predicting the CREC and CSEC strains. A total of 26 compounds were identified, and six of the compounds were the highly significant difference between the two types of strains. MS combined with pattern recognition can achieve a more comprehensive and efficient statistical analysis of complex biological samples.
Polycaprolactone‐co‐polylactic acid nanofiber scaffold in combination with 5‐azacytidine and transforming growth factor‐β to induce cardiomyocyte differentiation of adipose‐derived mesenchymal stem cells
Authors: Tambrchi Parastoo , Mahdavi Amir Hossein , DaliriJoupari Morteza , Soltani Leila 
Published: August 2022

AbstractAdipose‐derived mesenchymal stem cells (Ad‐MSCs) are promising candidates for cardiac repair/regeneration. The application of copolymer nanoscaffolds has received great attention in tissue engineering to support differentiation and functional tissue organization toward effective tissue regeneration. The objective of the current study was to develop functional and bioactive scaffolds by combining polycaprolactone (PCL) and polylactic acid (PLA) for cardiomyocyte differentiation of human Ad‐MSC (hAd‐MSCs) in the absence or presence of 5‐azacytidine and transforming growth factor‐β (TGF‐β). To that end, the human MSCs were extracted from human adipose tissue (AD). The cardiomyocyte differentiation potency of hAd‐MSCs was evaluated on the novel synthetic PCL/PLA nanofiber scaffolds prepared in the absence and presence of 5‐azacytidine and TGF‐β supplements. A PCL/PLA nanofibrous scaffold was fabricated using the electrospinning method and its nanotopography and porous structure were characterized using scanning electron microscopy. In addition, the attachment of hAd‐MSCs on the PCL/PLA scaffolds was semiquantitatively investigated. Compared with other treatments, the PCL/PLA nanofibrous scaffold supplemented with both 5‐azacytidine and TGF‐β was observed to differentiate hAd‐MSCs into cardiomyocytes at Day 21 as evidenced by real‐time PCR for cardiac‐specific genes including cardiac troponin I (cTnI), GATA4, MYH7, and NKX2.5. In addition, flow cytometric analysis of cTnI‐positive cells demonstrated that the cardiomyocyte differentiation of hAd‐MSCs was more efficient on the PCL/PLA nanofibrous scaffold supplemented with both 5‐azacytidine and TGF‐β than it was in the other treatment groups. Generally speaking, the results show that PCL/PLA nanofibrous scaffolds may be applied as a platform for efficient differentiation of hAd‐MSCs into functional cardiomyocytes.
High bone mass in mice can be linked to lower osteoclast formation, resorptive capacity, and restricted in vitro sensitivity to inhibition by stable sulforaphane
Authors: Louka Polymnia , Orriss Isabel R. , Pitsillides Andrew A. 
Published: August 2022

AbstractMouse strains can have divergent basal bone mass, yet this phenotype is seldom reflected in the design of studies seeking to identify new modulators of bone resorption by osteoclasts. Sulforaphane exerts inhibitory effects on in vitro osteoclastogenesis in cells from C57BL/6 mice. Here, we explore whether a divergent basal bone mass in different mouse strains is linked both to in vitro osteoclastogenic potential and to SFX‐01 sensitivity. Accordingly, osteoclasts isolated from the bone marrow (BM) of C57BL/6, STR/Ort and CBA mice with low, high, and intermediate bone mass, respectively, were cultured under conditions to promote osteoclast differentiation and resorption; they were also treated with chemically stabilised sulforaphane (SFX‐01) and respective sensitivity to inhibition evaluated by counting osteoclast number/resorption activity on dentine discs. We observed that osteoclastogenesis exhibited different macrophage colony‐stimulating factor/receptor activator of nuclear factor kappa‐Β ligand sensitivity in these mouse strains, with cells from C57BL/6 and CBA generating higher osteoclast numbers than STR/Ort; the latter formed only half as many mature osteoclasts. We found that 100 nM SFX‐01 exerted a potent and significant reduction in osteoclast number and resorptive activity in cells derived from C57BL/6 mice. In contrast, 10‐fold higher SFX‐01 concentrations were required for similar inhibition in CBA‐derived cells and, strikingly, a further 2.5‐fold greater concentration was required for significant restriction of osteoclast formation/function in STR/Ort. These data are consistent with the notion that the BM osteoclast precursor population contributes to the relative differences in mouse bone mass and that mice with higher bone mass exhibit lower in vitro osteoclastogenic potential as well as reduced sensitivity to inhibition by SFX‐01.
Ruthenium(II) Polypyridyl Complexes Containing Simple Dioxo Ligands: a Structure‐Activity Relationship Study Shows the Importance of the Charge
Authors: Gandioso Albert , Vidal Alessio , Burckel Pierre , Gasser Gilles , Alessio Enzo 
Published: August 2022

AbstractCancer is one of the main causes of death worldwide. Platinum complexes (i. e., cisplatin, carboplatin, and others) are currently heavily used for the treatment of different types of cancer, but unwanted effects occur. Ruthenium complexes have been shown to be potential promising alternatives to these metal‐based drugs. In this work, we performed a structure‐activity relationship (SAR) study on two small series of Ru(II) polypyridyl complexes of the type [Ru(L1)2(O^O)]Cln (3–8), where L1 is 4,7‐diphenyl‐1,10‐phenantroline (DIP) or 1,10‐phenantroline (phen), and O^O is a symmetrical anionic dioxo ligand: oxalate (ox, n=0), malonate (mal, n=0), or acetylacetonate (acac, n=1). These two self‐consistent series of compounds allowed us to perform a systematic investigation for establishing how the nature of the ligands and the charge affect the anticancer properties of the complexes. Cytotoxicity tests on different cell lines demonstrated that some of the six compounds 3–8 have a promising anticancer activity. More specifically, the cationic complex [Ru(DIP)2(η2‐acac)]Cl (4) has IC50 values in the mid‐nanomolar concentration range, lower than those of cisplatin on the same cell lines. Interestingly, [Ru(DIP)2(η2‐acac)]Cl was found to localize mainly in the mitochondria, whereas a smaller fraction was detected in the nucleus. Overall, our SAR investigation demonstrates the importance of combining the positive charge of the complex with the highly lipophilic diimine ligand DIP.
Chaperone‐mediated autophagy attenuates H2O2‐induced cardiomyocyte apoptosis by targeting poly (ADP‐ribose) polymerase 1 (PARP1) for lysosomal degradation
Authors: Zhang Dandan , Lai Wei , Liu Yang , Wan Rong , Shen Yang 
Published: August 2022

AbstractPoly (ADP‐ribose) polymerase 1 (PARP1) is a typical representative of the PARP enzyme family and is mainly related to DNA repair, gene transcription regulation, inflammation, and oxidative stress. Studies have found that PARP1 is involved in the pathophysiological processes of a variety of cardiovascular diseases. Chaperone‐mediated autophagy (CMA) is involved in the molecular regulation of various diseases, including cardiovascular diseases, and plays a critical role in maintaining intracellular metabolism balance. However, the link between PARP1 and CMA in cardiomyocytes remains unclear. Therefore, the aims of this study were to investigate whether CMA is involved in PARP1 regulation and to further clarify the specific molecular mechanisms. Earle's balanced salt solution (EBSS)‐induced activation of autophagy reduced PARP1 expression, whereas the autophagy lysosomal inhibitor CQ had the opposite effect. Correspondingly, treatment with the autophagy inhibitor 3‐methyladenine did not abolish the autophagy‐inducing effects of EBSS. Additionally, PARP1 binds to heat shock cognate protein 70 and lysosome‐associated membrane protein 2A (LAMP2A). Moreover, adenovirus‐mediated LAMP2A overexpression to activate the CMA signaling pathway in cardiomyocytes reduces PARP1 (cleaved) expression and further decreases cardiomyocyte apoptosis caused by oxidative stress. In contrast, downregulation of LAMP2A increased PARP1 (cleaved) expression and the degree of apoptosis. More importantly, we report that appropriate concentrations of H2O2 triggered the nuclear translocation of PARP1, which subsequently promoted the degradation of PARP1 through the CMA pathway. In summary, our data are the first to reveal that CMA targeted PARP1 for lysosomal degradation in cardiomyocytes, which ultimately inhibited apoptosis by promoting the degradation of the PARP1 protein.
Annealing Treatment: A Facile Approach to Enhance Transfer Kinetics for a LiFePO4/C Cathode
Authors: Yang Maoping , Jia Xueying , Li Pengfei , Yao Jie , Wang Weiwei 
Published: August 2022

AbstractNowadays, solid phase synthesis has been proven to be the most cost‐effective and convenient approach to mass preparation of a LiFePO4/C cathode. Nevertheless, the LiFePO4/C cathode usually shows unsatisfactory electrochemical performance due to its high proportion of antisite defects and inefficient carbon coating. In this work, a post‐synthesis annealing treatment method is used to improve the ionic and electron transfer kinetics of high‐temperature solid phase synthesized LiFePO4/C. Owing to the annealing treatment, the proportion of Fe‐Li antisite defects in the LiFePO4 crystal can be significantly reduced. The graphitization degree of carbon coating on LiFePO4 has been increased. This contributes to the enhancement of rapid transfer kinetics and suppressed polarization of the electrode.
A Quick and Reproducible Silanization Method by Using Plasma Activation for Hydrophobicity‐Based Kinesin Single Molecule Fluorescence–Microscopy Assays
Authors: Wedler Viktoria , Quinones Dustin , Peisert Heiko , Schäffer Erik 
Published: August 2022

AbstractSingle‐molecule assays often require functionalized surfaces. One approach for microtubule assays renders surfaces hydrophobic and uses amphiphilic blocking agents. However, the optimal hydrophobicity is unclear, protocols take long, produce toxic waste, and are susceptible to failure. Our method uses plasma activation with hydrocarbons for hexamethyldisilazane (HMDS) silanization in the gas phase. We measured the surface hydrophobicity, its effect on how well microtubule filaments were bound to the surface, and the number of nonspecific interactions with kinesin motor proteins. Additionally, we tested and discuss the use of different silanes and activation methods. We found that even weakly hydrophobic surfaces were optimal. Our environmentally friendly method significanty reduced the overall preparation effort and resulted in reproducible, high‐quality surfaces with low variability. We expect the method to be applicable to a wide range of other single‐molecule assays.
Molecularly Imprinted Nanozymes with Free Substrate Access for Catalyzing the Ligation of ssDNA Sequences
Authors: Guo Zhanchen , Luo Qi , Liu Zhen 
Published: August 2022

AbstractNanozymes have attracted wide attention for the unique advantages of low cost, high stability and designability. Molecularly imprinted polymers (MIPs) have demonstrated great potential as a new type of nanozymes due to their excellent specificity and high affinity. However, effective approaches for creating molecularly imprinted nanozymes still remain limited. Herein, reverse microemulsion template docking surface imprinting (RMTD‐SI) is reported as a new approach for the rational design and engineering of nanozymes with free substrate access for the ligation of ssDNA sequences. As a proof of the principle, octa‐deoxyribonucleotide‐imprinted nanoparticles were successfully prepared. Using tetradeoxyribonucleotides and octa‐deoxyribonucleotide as substrates, the properties, catalytic activity and behavior of the imprinted nanoparticles were thoroughly investigated. The imprinted nanozyme exhibited an enhanced reaction speed (by up to 41‐fold) and good sequence selectivity towards substrate tetra‐deoxyribonucleotides. More interestingly, due to the open substrate access, the imprinted nanozyme also allowed the ligation of a ssDNA that fully matched with the imprinted cavity and other ssDNA substrates to form longer sequences, but at the price of substrate selectivity. Thus, this study provides not only a new avenue to the rational design and synthesis of molecularly imprinted nanozymes but also new insights of their catalytic behavior.
Estimation of SARS‐CoV‐2 antibody prevalence through serological uncertainty and daily incidence
Authors: Wang Liangliang , Min Joosung , Doig Renny , Elliott Lloyd T. , Colijn Caroline 
Published: August 2022

AbstractSerology tests for SARS‐CoV‐2 provide a paradigm for estimating the number of individuals who have had an infection in the past (including cases that are not detected by routine testing, which has varied over the course of the pandemic and between jurisdictions). Such estimation is challenging in cases for which we only have limited serological data and do not take into account the uncertainty of the serology test. In this work, we provide a joint Bayesian model to improve the estimation of the sero‐prevalence (the proportion of the population with SARS‐CoV‐2 antibodies) through integrating multiple sources of data, priors on the sensitivity and specificity of the serological test, and an effective epidemiological dynamics model. We apply our model to the Greater Vancouver area, British Columbia, Canada, with data acquired during the pandemic from the end of January to May 2020. Our estimated sero‐prevalence is consistent with previous literature but with a tighter credible interval.
Association of lipoprotein(a) with aortic dissection
Authors: Yang Yiheng , Hong Yuting , Yang Weihua , Zheng Zhenzhong 
Published: August 2022

AbstractBackgroundLipoprotein(a) [Lp(a)] is associated with coronary atherosclerotic heart disease, aortic stenosis, stroke, and heart failure. We aimed to determine the relationship between Lp(a) and aortic dissection (AD).MethodsTwo hundred patients with AD were included in our case group. The control group consisted of 200 non‐AD people who were age‐ (±5 years) and gender‐matched to the case group. Data were collected retrospectively, including hypertension, smoking, coronary artery disease, diabetes mellitus, Lp(a), total cholesterol, triglyceride, low‐density lipoprotein cholesterol, and high‐density lipoprotein cholesterol. The association between Lp(a) and AD was studied using univariate and multivariate logistic regression analysis.ResultsPatients with AD had greater median Lp(a) concentrations than non‐AD people (152.50 vs. 81.75 mg/L). Lp(a) was associated with AD in a multivariate logistic regression analysis (odds ratio, 8.03; 95% confidence interval, 2.85–22.62), comparing those with Lp(a) quartile 4 with those with Lp(a) quartile 1. Stratified analysis showed that this relationship was observed in both men and women, as well as in older and younger individuals.ConclusionsHigh levels of Lp(a) are strongly associated with AD, independent of other cardiovascular risk factors.
QM/MM Study of the Reaction Mechanism of Thermophilic Glucuronoyl Esterase for Biomass Treatment
Authors: Viegas Matilde F. , Neves Rui P. P. , Ramos Maria J. , Fernandes Pedro A. 
Published: August 2022

AbstractHydrolysis of lignocellulosic biomass, composed of a lignin‐carbohydrate‐complex (LCC) matrix, is critical for producing bioethanol from glucose. However, current methods for LCC processing require costly and polluting processes. The fungal Thermothelomyces thermophila glucuronoyl esterase (TtGE) is a promising thermophilic enzyme that hydrolyses LCC ester bonds. This study describes the TtGE catalytic mechanism using QM/MM methods. Two nearly‐degenerate rate‐determining transition states were found, with barriers of 16 and 17 kcal ⋅ mol−1, both with a zwitterionic nature that results from a proton interplay from His346 to either the Ser213‐hydroxyl or the lignin leaving group and the rehybridisation of the ester moiety of the substrate to an alkoxide. An oxyanion hole, characteristic of esterases, was provided by the conserved Arg214 through its backbone and sidechain. Our work further suggests that a mutation of Glu267 to a non‐negative residue will decrease the energetic barrier in ca. −5 kcal ⋅ mol−1, improving the catalytic rate of TtGE.
Formation of silicone thin films by ArF excimer laser induced photo‐desorption
Authors: Okoshi Masayuki 
Published: August 2022

AbstractLow molecular weight silicones were ejected from silicone rubber target irradiated by a 193 nm ArF excimer laser through the photo‐desorption. The ejected silicones were successfully deposited on a fused silica glass substrate in air. An approximately 0.3 mm of the target‐substrate distance was required for the deposition. The deposited silicones became a thin film, showing an interference color when the ArF excimer laser was irradiated for a long time. Chemical bonding state of the formed thin films was analyzed by the Fourier transform infrared spectroscopy. The thin films were slightly different from the original silicone rubber structure, still it was composed of Si‐O‐Si bonds and Si‐CH3 bonds. Also, OH bonds were clearly produced in the silicone thin films. As a result, contact angle of water on the silicone thin films was measured to be approximately 20 degrees, indicating a hydrophilic property.
Cationic Nickel d9‐Metalloradicals [Ni(NHC)2]+
Authors: Tendera Lukas , Luff Martin S. , Krummenacher Ivo , Radius Udo 
Published: August 2022

AbstractA series of five new homoleptic, linear nickel d9‐complexes of the type [NiI(NHC)2]+ is reported. Starting from the literature known Ni(0) complexes [Ni(Mes2Im)2] 1, [Ni(Mes2ImH2)2] 2, [Ni(Dipp2Im)2] 3, [Ni(Dipp2ImH2)2] 4 and [Ni(cAACMe)2] 5 (Mes2Im=1,3‐bis(2,4,6‐trimethylphenyl)‐imidazolin‐2‐ylidene, Mes2ImH2=1,3‐bis(2,4,6‐trimethylphenyl)‐imidazolidin‐2‐ylidene, Dipp2Im=1,3‐bis(2,6‐diisopropylphenyl)‐imidazolin‐2‐ylidene, Dipp2ImH2=1,3‐bis(2,6‐diisopropylphenyl)‐imidazolidin‐2‐ylidene, cAACMe=1‐(2,6‐diisopropylphenyl)‐3,3,5,5‐tetramethylpyrrolidin‐2‐yliden), their oxidized Ni(I) analogues [NiI(Mes2Im)2][BPh4] 1+, [NiI(Mes2ImH2)2][BPh4] 2+, [NiI(Dipp2Im)2][BPh4] 3+, [NiI(Dipp2ImH2)2][BPh4] 4+ and [NiI(cAACMe)2][BPh4] 5+ were synthesized by one‐electron oxidation with ferrocenium tetraphenyl‐borate. The complexes 1+–5+ were fully characterized including X‐ray structure analysis. The complex cations reveal linear geometries in the solid state and NMR spectra with extremely broad, paramagnetically shifted resonances. DFT calculations predicted an orbitally degenerate ground state leading to large magnetic anisotropy, which was verified by EPR measurements in solution and on solid samples. The magnetic anisotropy of the complexes is highly dependent from the steric protection of the metal atom, which results in a noticeable decrease of the g‐tensor anisotropy for the N‐Mes substituted complexes 1+ and 2+ in solution due to the formation of T‐shaped THF adducts.
Homo bodoensis and why it matters
Authors: Roksandic Mirjana , Radović Predrag , Wu Xiu‐Jie , Bae Christopher J. 
Published: August 2022

AbstractIn our original paper, we proposed a new species, Homo bodoensis, to replace the problematical taxa Homo heidelbergensis and Homo rhodesiensis, with the goal of streamlining communication about human evolution in the Chibanian. We received two independent responses. Given their substantial overlap, we provide one combined reply. In this response: (1) we are encouraged that the primary proposal in our paper, to discontinue the use of H. heidelbergensis (as a junior synonym to Homo neanderthalensis) due to its' nomenclatural problems, is acknowledged. (2) we provide additional clarification about the rules governing taxonomic nomenclature as outlined by the International Code of Zoological Nomenclature and join the growing calls for a revision to these rules. (3) we discuss further why H. rhodesiensis should be abandoned, particularly in light of the current sensitivity to using culturally inappropriate names. We conclude that H. bodoensis is a better solution than the proposed alternatives.
Piecewise linear boundary crossing probabilities, barrier options, and variable annuities
Authors: Lee Hangsuck , Ha Hongjun , Lee Minha 
Published: August 2022

AbstractBarrier options have been instrumental in satisfying various market demands. This paper introduces piecewise linear barrier options and provides their pricing formulas. To this end, we establish the analytical piecewise linear boundary crossing probability and explain how to approximate arbitrary boundary crossing probabilities. In addition, we show that a financial instrument with early exercise is decomposable into a knock‐out barrier option and immediate rebate, which casts a new illumination of the value of early exercise. We consider a variable annuity with guaranteed minimum accumulation benefit rider and surrender option to illustrate the decomposition. Extensive numerical experiments validate theoretical findings.
Forecasting realized volatility: New evidence from time‐varying jumps in VIX
Authors: Dutta Anupam , Das Debojyoti 
Published: August 2022

AbstractGiven that jumps in the implied volatility index (VIX) lead to rapid changes in the level of volatility, they may contain significant predictive information for the realized variance (RV) of stock returns. Against this backdrop, the present study proposes to extend the heterogeneous autoregressive (HAR) model using the information content of time‐varying jumps occurring in VIX. We find that jumps in VIX have positive impacts on the RV of S&P 500 index and that the proposed HAR‐RV approach generates more accurate volatility forecasts than do the existing HAR‐RV type models. Importantly, these results hold for short‐, medium‐, and long‐term volatility components.