bluuebunny/crossref_metadata_2025_split huggingface dataset:
Observation of reactions in single molecules/nanoparticles using light microscopy
Authors: Ahn Yongdeok , Park Minsoo , Seo Daeha 
Published: October 2022

AbstractRecent techniques for direct observation of single molecules or nanoparticles provide methodologies for imaging the activation sites of heterogeneous catalysts (spatially resolved) and observing intermediates that are not visible in the ensemble average (temporally resolved). Accordingly, the primary challenge for related experiments is obtaining sufficient spatial and temporal resolutions for microscopic observation of the chemical reaction of interest. This review discusses recent advances in fluorescence—for example, total internal reflection fluorescence (TIRF)—and dark‐field microscopy—for example, imaging plasmonic probes—used for observing organic, inorganic, and biological reactions. The following key factors for microscopic observation of chemical reactions are discussed: (1) design of the chemical reaction and probe, (2) selection of microscope based on reaction's temporal information, and (3) use of machine learning algorithms to analyze the sequence imaging data. This review summarizes experimental techniques and detailed examples of reactions at the single molecule and nanoparticle level. Furthermore, it discusses avenues of development. These observations can guide the development of new and systematic methodological approaches for investigating important unsolved problems in chemistry.
Characterization and Structural Determination of CmnG‐A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis
Authors: Chen I‐Hsuan , Cheng Ting , Wang Yung‐Lin , Huang Szu‐Jo , Hsiao Yu‐Hsuan , Lai Yi‐Ting , Toh Shu‐Ing , Chu John , Rudolf Jeffrey D. , Chang Chin‐Yuan 
Published: October 2022

AbstractCapreomycidine (Cap) is a nonproteinogenic amino acid and building block of nonribosomal peptide (NRP) natural products. We report the formation and activation of Cap in capreomycin biosynthesis. CmnC and CmnD catalyzed hydroxylation and cyclization, respectively, of l‐Arg to form l‐Cap. l‐Cap is then adenylated by CmnG‐A before being incorporated into the nonribosomal peptide. The co‐crystal structures of CmnG‐A with l‐Cap and adenosine nucleotides provide insights into the specificity and engineering opportunities of this unique adenylation domain.
Cation‐Tuning Engineering on Metal Oxides for Oxygen Electrocatalysis
Authors: Cao Liuyue , Zhang Bin‐Wei , Zhao Shenlong 
Published: October 2022

AbstractCation‐tuning engineering has become a new frontier in altering the electronic structure of electrocatalysts, which has been employed to enhance their electrochemical performance. Significant efforts have been made to promote the electrochemical performance of transition metal‐based materials during oxygen electrocatalysis and related energy devices such as Zn‐air batteries. Herein, the advantages of cation‐tuning engineering, including cation vacancies/defects and cation doping, in the modification of the electronic structure of transition metal oxide catalysts are discussed. Additionally, practical applications of the cation‐tuning engineering strategy are reviewed in detail with a special emphasis on oxygen reduction reaction and oxygen evolution reaction. Lastly, challenges and future opportunities in this field are also proposed.
Synthesis of Sterically Encumbered Thiourea S‐Oxides through Direct Thiourea Oxidation
Authors: Medvedko Serhii , Ströbele Markus , Wagner J. Philipp 
Published: October 2022

AbstractThiourea S‐oxides can be viewed as formal analogs of the currently unknown diamino‐substituted Criegee intermediates (urea O‐oxides). However, the preparation of such S‐oxides is rather challenging, and the direct oxidation of thioureas typically only leads to formation of desulfurized products. Employing the accurate revDSD‐PBEP86‐D4 double hybrid density functional, it was found that the peracid mediated oxidation of thiourea S‐oxides exhibits a lower reaction barrier than the oxidation of the corresponding thiourea itself in contrast to most other ordinary thioketones. The undesired overoxidation reactivity, which is associated with strong π‐donation from the thiourea's nitrogen atoms, can be partially suppressed by introduction of bulky substituents and the utilization of protic solvents. In this regard, we managed to prepare two sterically encumbered thiourea S‐oxides in isolated yields of 35–40 %. The S‐oxides are stable in the solid state and in alcoholic solutions at room temperature for extended periods of time, but swiftly decompose in aprotic solvents by disproportionation. A dimesityl‐substituted thiourea S‐oxide complexed with residual mCBA could be characterized by means of X‐ray crystallography, confirming the importance of hydrogen bonding in the stabilization of the amino‐substituted C=S+−O− moiety.
Boosting Ring Strain and Lewis Acidity of Borirane: Synthesis, Reactivity and Density Functional Theory Studies of an Uncoordinated Arylborirane Fused to o‐Carborane
Authors: Wei Yuxiang , Wang Junyi , Yang Weiguang , Lin Zhenyang , Ye Qing 
Published: October 2022

AbstractAmong the parent borirane, benzoborirene and ortho‐dicarbadodecaborane‐fused borirane, the latter possesses the highest ring strain and the highest Lewis acidity according to our density functional theory (DFT) studies. The synthesis of this class of compounds is thus considerably challenging. The existing examples require either a strong π‐donating group or an extra ligand for B‐coordination, which nevertheless suppresses or completely turns off the Lewis acidity. The title compound, which possesses both features, not only allows the 1,2‐insertion of P=O, C=O or C≡N to proceed under milder conditions, but also enables the heretofore unknown dearomative 1,4‐insertion of Ar−(C=O)− into a B−C bond. The fusion of strained molecular systems to an o‐carborane cage shows great promise for boosting both the ring strain and acidity.
Circulating LncRNAs landscape as potential biomarkers in breast cancer
Authors: Pourramezan Zahra , Attar Fatemeh Akhavan , Yusefpour Maryam , Azizi Masoumeh , Oloomi Mana 
Published: October 2022

AbstractBackgroundIn Iran, the delay in diagnosis and treatment of breast cancer results in low survival rates.AimIt is essential to characterize new therapeutic targets and prognostic breast cancer biomarkers. The rising evidence suggested that long non‐coding RNAs (lncRNAs) expression levels are deregulated in human cancers and can use as biomarkers for the rapid diagnosis of breast cancer.MethodsIn the present study, a quantitative real‐time polymerase chain reaction (qRT‐PCR) technique was used to measure 20 oncogenic and tumor suppressor lncRNAs expression levels in whole blood samples of female breast cancer patients and healthy women. Receiver operating characteristic curve (ROC) was used to assess the diagnostic value of each selected lncRNA as a biomarker.ResultsThe results revealed that some circulating lncRNAs (MEG3, NBAT1, NKILA, GAS5, EPB41L4A‐AS2, Z38, and BC040587) were significantly down‐regulated in breast cancer patients compared to healthy women. In contrast, other circulating lncRNAs (H19, SPRY4‐IT1, XIST, UCA1, AC026904.1, CCAT1, CCAT2, ITGB2‐AS, and AK058003) were significantly up‐regulated in breast cancer patients compared to controls. It was shown that the expression levels of NKILA, and NBAT1 lncRNAs were related to tumor size, and BC040587 expression level related to age, node metastasis, tumor size, and grade (p < .05). The association between H19 and SPRY4‐IT1 lncRNAs with HER‐2 was confirmed statistically (p < .05). ROC curves illustrated that the blood levels of SPRY4‐IT1, XIST, and H19 lncRNAs have excellent potential in discriminating breast cancer from the healthy controls, showing an AUC of 1.0 (95% CI 1.0–1.0, p = .00), 0.898 (95% CI 0.815–0.981, p = .00), and 0.848 (95% CI 0.701–0.995, p = .01), respectively.ConclusionIn conclusion, the expression levels of circulating H19 and SPRY4‐IT1 lncRNAs in breast cancer patients could consider as the prognostic biomarkers and therapeutic targets in breast cancer, because of their excellent power in discriminating breast cancer from healthy individuals and the significant correlation of H19, and SPRY4‐IT1 lncRNAs with clinicopathological traits. We also suggest the possible application of BC040587 lncRNA as a diagnostic and prognostic indicator to assess tumor progression in case of verification in larger patients' cohorts.
Sediment and carbon dynamics during an episodic flood in an intermittent river
Authors: Liu Xinyu , Lu Xixi , Yu Ruihong , Sun Heyang , Li Yuan , Qi Zhen , Xue Hao , Zhang Zhuangzhuang , Cao Zhengxu , Liu Tingxi , Lu Changwei 
Published: October 2022

AbstractThe contribution of intermittent rivers and ephemeral streams (IRES) to the global carbon cycle has largely been overlooked. Flood events can impact hydrological processes, carbon (C) transport, and carbon dioxide (CO2) emissions. This study monitored river flow and sediment concentrations in an intermittent river during a flood event. Water samples were measured for water quality factors and C transport indices. CO2 partial pressure (pCO2) and CO2 flux (FCO2) were also analyzed. Remote sensing data were used to analyze soil erosion in the basin. Results indicate that the total sediment load from the flood was approximately 5503.1 t, with sediment concentrations showing a direct relationship with flow discharge. By completing a hysteresis loop and soil erosion level analysis, soil erosion from the river source and runoff surface scour were found to be the primary sources of sediment. The flood significantly increased particulate organic carbon and decreased dissolved organic carbon. During the flood, pCO2 ranged between 669 and 1229 ppm, indicating that the IRES served as a carbon source, with pH and total dissolved solids being the main influencing factors. The FCO2 varied between 20.16 and 568.33 mg m−2 h−1 and revealed a significant positive correlation with pCO2. After the flood ended, CO2 emissions increased and remained high for a long time. The study findings have substantial implications for IRES responses to extreme flood events, which are predicted to increase in intensity under climate change.
BPRT: A blockchain‐based privacy‐preserving transaction scheme based on an efficient broadcast encryption with personalized messages
Authors: Yao Shuang , Zhang Dawei 
Published: October 2022

AbstractAs blockchain has drawn more and more attention, much research has developed different transaction schemes with privacy preserving specialized in various fields. The nature of blockchain makes the transaction information public, which presents much risk about the leakage of user privacy. It is quite necessary to design a flexible scheme to provide privacy preserving of transaction contents with reliable audit in blockchain that is lacked in the previous works. In this paper, we propose a blockchain‐based privacy‐preserving transaction scheme based on an efficient broadcast encryption with personalized messages called BPRT. First, we propose a fully anonymous broadcast encryption with personalized messages (BEPM). Compared with existing works, it is fully anonymous, and it has lower computation cost without pairing operations. It also avoids the key escrow problem existing in other BEPM schemes. Then, we construct the BPRT based on our BEPM. Our BPRT ensures the privacy preserving of transaction contents in group transmissions, and the encrypted transaction contents avoid exposing user identity information at the same time. It enables auditor to moderately and reliably make audit of transaction contents. Furthermore, we present formal security analysis of the proposed scheme. It has been proved that our scheme satisfies transaction confidentiality, receiver anonymity and audit reliability. Subsequently, experimental results indicate that the proposed BEPM enables fast encryption and decryption, and the computation of our BPRT is in milliseconds.
Postdiagnosis body fatness, weight change and breast cancer prognosis: Global Cancer Update Program (CUP global) systematic literature review and meta‐analysis
Authors: Chan Doris S.M. , Vieira Rita , Abar Leila , Aune Dagfinn , Balducci Katia , Cariolou Margarita , Greenwood Darren C. , Markozannes Georgios , Nanu Neesha , Becerra‐Tomás Nerea , Giovannucci Edward L. , Gunter Marc J. , Jackson Alan A. , Kampman Ellen , Lund Vivien , Allen Kate , Brockton Nigel T. , Croker Helen , Katsikioti Daphne , McGinley‐Gieser Deirdre , Mitrou Panagiota , Wiseman Martin , Cross Amanda J. , Riboli Elio , Clinton Steven K. , McTiernan Anne , Norat Teresa , Tsilidis Konstantinos K. 
Published: October 2022

AbstractPrevious evidence on postdiagnosis body fatness and mortality after breast cancer was graded as limited‐suggestive. To evaluate the evidence on body mass index (BMI), waist circumference, waist‐hip‐ratio and weight change in relation to breast cancer prognosis, an updated systematic review was conducted. PubMed and Embase were searched for relevant studies published up to 31 October, 2021. Random‐effects meta‐analyses were conducted to estimate summary relative risks (RRs). The evidence was judged by an independent Expert Panel using pre‐defined grading criteria. One randomized controlled trial and 225 observational studies were reviewed (220 publications). There was strong evidence (likelihood of causality: probable) that higher postdiagnosis BMI was associated with increased all‐cause mortality (64 studies, 32 507 deaths), breast cancer‐specific mortality (39 studies, 14 106 deaths) and second primary breast cancer (11 studies, 5248 events). The respective summary RRs and 95% confidence intervals per 5 kg/m2BMI were 1.07 (1.05‐1.10), 1.10 (1.06‐1.14) and 1.14 (1.04‐1.26), with high between‐study heterogeneity (I2 = 56%, 60%, 66%), but generally consistent positive associations. Positive associations were also observed for waist circumference, waist‐hip‐ratio and all‐cause and breast cancer‐specific mortality. There was limited‐suggestive evidence that postdiagnosis BMI was associated with higher risk of recurrence, nonbreast cancer deaths and cardiovascular deaths. The evidence for postdiagnosis (unexplained) weight or BMI change and all outcomes was graded as limited‐no conclusion. The RCT showed potential beneficial effect of intentional weight loss on disease‐free‐survival, but more intervention trials and well‐designed observational studies in diverse populations are needed to elucidate the impact of body composition and their changes on breast cancer outcomes.
The current status of cell‐free human papillomavirus DNA as a biomarker in cervical cancer and other HPV‐associated tumors: A review
Authors: Sivars Lars , Palsdottir Kolbrun , Crona Guterstam Ylva , Falconer Henrik , Hellman Kristina , Tham Emma 
Published: October 2022

AbstractTumor cells release fragments of their DNA into the circulation, so called cell‐free tumor DNA (ctDNA), allowing for analysis of tumor DNA in a simple blood test, that is, liquid biopsy. Cervical cancer is one of the most common malignancies among women worldwide and high‐risk human papillomavirus (HR‐HPV) is the cause of the majority of cases. HR‐HPV integrates into the host genome and is often present in multiple copies per cell and should thus also be released as ctDNA. Such ctHPV DNA is therefore a possible biomarker in cervical cancer. In this review, we first give a background on ctDNA in general and then a comprehensive review of studies on ctHPV DNA in cervical cancer and pre‐malignant lesions that may develop in cervical cancer. Furthermore, studies on ctHPV DNA in other HPV related malignancies (eg, head‐and‐neck and anogenital cancers) are briefly reviewed. We conclude that detection of ctHPV DNA in plasma from patients with cervical cancer is feasible, although optimized protocols and ultra‐sensitive techniques are required for sufficient sensitivity. Results from retrospective studies in both cervical cancer and other HPV‐related malignancies suggests that ctHPV DNA is a promising prognostic biomarker, for example, for detecting relapses early. This paves the way for larger, preferably prospective studies investigating the clinical value of ctHPV DNA as a biomarker in cervical cancer. However, there are conflicting results whether ctHPV DNA can be found in blood from patients with pre‐malignant lesions and further studies are needed to fully elucidate this question.
Trends in the incidence of ovarian cancer in sub‐Saharan Africa
Authors: Gizaw Muluken , Parkin Donald Maxwell , Stöter Ole , Korir Anne , Kamate Bakarou , Liu Biying , Bojang Lamin , N'Da Guy , Manraj Shyam S. , Bukirwa Phiona , Chokunonga Eric , Chingonzoh Tatenda , Peko Jean‐Félix , Finesse Anne , Somdyala Nontuthuzelo , Ladipo Akinade , Kantelhardt Eva Johanna 
Published: October 2022

AbstractOvarian cancer (OC) is one of the commonest cancers of women in sub‐Saharan Africa (SSA), although to date no data have been available on time trends in incidence to better understand the disease pattern in the region. We estimate time trends by histological subtype from 12 population‐based cancer registries in 11 countries: Kenya (Nairobi), Mauritius, Seychelles, Uganda (Kampala), Congo (Brazzaville), Zimbabwe (Bulawayo and Harare), Cote d'Ivoire (Abidjan), The Gambia, Mali (Bamako), Nigeria (Ibadan) and South Africa (Eastern Cape). The selected registries were those that could provide consistent estimates of the incidence of ovarian cancer and with quality assessment for periods of 10 or more years. A total of 5423 cases of OC were included. Incidence rates have been increasing in all registries except Brazzaville, Congo, where a nonsignificant decline of 1% per year was seen. Statistically significant average annual increases were seen in Mauritius (2.5%), Bamako (5.3%), Ibadan (3.9%) and Eastern Cape (8%). Epithelial ovarian cancer was responsible for the increases observed in all registries. Statistically significant average annual percentage changes (AAPC) for epithelial OC were present in Bamako (AAPC = 5.9%), Ibadan (AAPC = 4.7%) and Eastern Cape (AAPC = 11.0%). Creating awareness among professionals of the growing importance of the disease is surely an important step to improving availability of, and access to, diagnosis and treatment of OC in SSA. Support must be given to the cancer registries to improve the availability of good‐quality data on this important cancer.
circRNA‐MSR regulates the expression of FBXO21 to inhibit chondrocyte autophagy by targeting miR‐761 in osteoarthritis
Authors: Jia Zhen , Liu Jia , Wang Jing 
Published: October 2022

AbstractOsteoarthritis (OA) is a chronic degenerative joint disease and is the most prevalent and disabling form of arthritis worldwide. Autophagy plays a vital role in OA. This study aimed to explore whether covalently closed circular RNA MSR (circRNA‐MSR) could affect the F‐box Only Protein 21 (FBXO21) expression by targeting microRNA‐761 (miR‐761), thereby affecting the autophagy in OA chondrocytes. Clinical OA tissues were collected, and circRNA‐MSR, miR‐761, and FBXO21 expressions were detected via quantitative real‐time polymerase chain reaction (qRT‐PCR). An in vitro OA model was constructed by treating C28/I2 cells with LPS and treating them with overexpression or knockdown vector of circRNA‐MSR, miR‐761, and FBXO21, and autophagy inhibitor 3‐MA. Fluorescence in situ hybridization (FISH) determined the location of circRNA‐MSR and miR‐761. Dual‐luciferase assay assessed circRNA‐MSR and miR‐761, along with the bindings of miR‐761 and FBXO21. Cell viability was detected by 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT) assay. LC3 II/I, p62 and beclin 1 expressions were detected via the western blot. circRNA‐MSR and FBXO21 levels were elevated in OA, but miR‐761 level was inhibited. Suppressing circRNA‐MSR promoted the autophagy of LPS‐treated cells. circRNA‐MSR could bind to miR‐761 and inhibit its expression. MiR‐761 inhibition reversed the promoted autophagy caused by circRNA‐MSR knockdown in LPS‐treated C28/I2 cells. Moreover, miR‐761 could target FBXO21 and inhibit its expression. FBXO21 overexpression reversed the increased autophagy caused by miR‐761 overexpression in LPS‐treated C28/I2 cells. circRNA‐MSR could affect FBXO21 level via targeting miR‐761, thereby repressing autophagy in OA chondrocytes, providing a new target and strategy for OA treatment.
Superconvergence of the effective Cauchy stress in computational homogenization of inelastic materials
Authors: Schneider Matti , Wicht Daniel 
Published: October 2022

AbstractWe provide theoretical investigations and empirical evidence that the effective stresses in computational homogenization of inelastic materials converge with a higher rate than the local solution fields. Due to the complexity of industrial‐scale microstructures, computational homogenization methods often utilize a rather crude approximation of the microstructure, favoring regular grids over accurate boundary representations. As the accuracy of such an approach has been under continuous verification for decades, it appears astonishing that this strategy is successful in homogenization, but is seldom used on component scale. A part of the puzzle has been solved recently, as it was shown that the effective elastic properties converge with twice the rate of the local strain and stress fields. Thus, although the local mechanical fields may be inaccurate, the averaging process leads to a cancellation of errors and improves the accuracy of the effective properties significantly. Unfortunately, the original argument is based on energetic considerations. The straightforward extension to the inelastic setting provides superconvergence of (pseudoelastic) potentials, but does not cover the primary quantity of interest: the effective stress tensor. The purpose of the work at hand is twofold. On the one hand, we provide extensive numerical experiments on the convergence rate of local and effective quantities for computational homogenization methods based on the fast Fourier transform. These indicate the superconvergence effect to be valid for effective stresses, as well. Moreover, we provide theoretical justification for such a superconvergence based on an argument that avoids energetic reasoning.
A multivariate curve resolution‐alternating least squares (MCR‐ALS) technology assisted 1H‐NMR methodology for multi‐component quantitation of Trichosanthis Pericarpium injection
Authors: Yang Jiayu , Li Wenzhu , Ding Jinguo , Dong Ying , Xie Xinyuan , Zhao Fang , Pan Jianyang , Qu Haibin 
Published: October 2022

AbstractIntroductionTrichosanthis Pericarpium injection (TPI) is a traditional Chinese medicine preparation obtained from Trichosanthis Pericarpium by extraction, purification and sterilisation. It contains amino acids, alkaloids, nucleotides and other components. Existing quantitative methods only analyse a few components in injections, so this study intends to develop a method for comprehensive analysis of TPI components.ObjectiveTo develop a method for quantification of components in TPI by multivariate curve resolution‐alternating least squares (MCR‐ALS) assisted proton nuclear magnetic resonance (1H‐NMR).MethodsA 1H‐NMR method was developed for the quantification of components in TPI. For components with independent signals, 3‐(trimethylsilyl) propionic‐2,2,3,3‐d4 acid sodium salt (TSP) was used as an internal standard to calculate the component contents. For components with overlapping signals, the method of MCR‐ALS was used.ResultsA total of 36 components were identified in TPI, of which 33 were quantified. Methodological validation results showed that the developed 1H‐NMR method has good linearity, accuracy, precision, robustness and specificity.ConclusionThe use of 1H‐NMR provides a reliable and universal method for the TPI components identification and quantification. Also, it can be used as a powerful tool for analysing the contents in a complex mixture as a quality control measure.