bluuebunny/crossref_metadata_2025_split huggingface dataset:
Race‐specific prostate cancer outcomes in a cohort of military health care beneficiaries undergoing surgery: 1990–2017
Authors: Oehrlein Nathan , Streicher Samantha A. , Kuo Huai‐Ching , Chaurasia Avinash , McFadden Jacob , Nousome Darryl , Chen Yongmei , Stroup Sean P. , Musser John , Brand Timothy , Porter Christopher , Rosner Inger L. , Chesnut Gregory T. , Onofaro Kayla C. , Rebbeck Timothy R. , D’Amico Anthony , Lu‐Yao Grace , Cullen Jennifer 
Published: May 2022

AbstractBackgroundThere is substantial variability in prostate cancer (PCa) mortality rates across Caucasian American (CA), African American (AA), Asian, and Hispanic men; however, these estimates are unable to disentangle race or ethnicity from confounding factors. The current study explores survival differences in long‐term PCa outcomes between self‐reported AA and CA men, and examines clinicopathologic features across self‐reported CA, AA, Asian, and Hispanic men.MethodsThis retrospective cohort study utilized the Center for Prostate Disease Research (CPDR) Multi‐center National Database from 1990 to 2017. Subjects were consented at military treatment facilities nationwide. AA, CA, Asian, or Hispanic men who underwent radical prostatectomy (RP) for localized PCa within the first year of diagnosis were included in the analyses. Time from RP to biochemical recurrence (BCR), BCR to metastasis, and metastasis to overall death were evaluated using Kaplan–Meier unadjusted estimation curves and adjusted Cox proportional hazards regression.ResultsThis study included 7067 men, of whom 5155 (73%) were CA, 1468 (21%) were AA, 237 (3%) were Asian, and 207 (3%) were Hispanic. AA men had a significantly decreased time from RP to BCR compared to CA men (HR = 1.25, 95% CI = 1.06–1.48, p = 0.01); however, no difference was observed between AA and CA men for a time from BCR to metastasis (HR = 0.73, 95% CI = 0.39–1.33, p = 0.302) and time from metastasis to overall death (HR = 0.67, 95% CI = 0.36–1.26, p = 0.213).ConclusionsIn an equal access health care setting, AA men had a shorter survival time from RP to BCR, but comparable survival time from BCR to metastasis and metastasis to overall death.
A novel DNA methylation‐driver gene signature for long‐term survival prediction of hepatitis‐positive hepatocellular carcinoma patients
Authors: Fu Jie , Qin Wei , Tong Qing , Li Zhenghao , Shao Yaoli , Liu Zhiqiang , Liu Chun , Wang Zicheng , Xu Xundi 
Published: May 2022

AbstractBackgroundAbnormal DNA methylation is one of the most general epigenetic modifications in hepatocellular carcinoma (HCC). Recent research showed that DNA methylation was a prognostic indicator of all‐cause HCC and nonviral HCC. However, whether DNA methylation‐driver genes could be used for predicting survival, the probability of hepatitis‐positive HCC remains unclear.MethodsIn this study, DNA methylation‐driver genes (MDGs) were screened by a joint analysis of methylome and transcriptome data of 142 hepatitis‐positive HCC patients. Subsequently, a prognostic risk score and nomogram were constructed. Finally, correlation analyses between the risk score and signaling pathways and immunity were conducted by GSVA and CIBERSORT.ResultsThrough random forest screening and Cox progression analysis, 10 prognostic methylation‐driver genes (AC008271.1, C11orf53, CASP8, F2RL2, GBP5, LUCAT1, RP11‐114B7.6, RP11‐149I23.3, RP11‐383 J24.1, and SLC35G2) were screened out. As a result, a prognostic risk score signature was constructed. The independent value of the risk score for prognosis prediction were addressed in the TCGA‐HCC and the China‐HCC cohorts. Next, clinicopathological features were analyzed and HBV status and histological grade were screened to construct a nomogram together with the risk score. The prognostic efficiency of the nomogram was validated by the calibration curves and the concordance index (C index: 0.829, 95% confidence interval: 0.794–0.864), while its clinical application ability was confirmed by decision curve analysis (DCA). At last, the relationship between the risk score and signaling pathways, as well as the correlations between immune cells were elucidated preliminary.ConclusionsTaken together, our study explored a novel DNA methylation‐driver gene risk score signature and an efficient nomogram for long‐term survival prediction of hepatitis‐positive HCC patients.
The association between single nucleotide polymorphisms and ovarian cancer risk: A systematic review and network meta‐analysis
Authors: Hu Jia , Xu Zhe , Ye Zhuomiao , Li Jin , Hao Zhinan , Wang Yongjun 
Published: May 2022

AbstractBackgroundThe relationship between single nucleotide polymorphisms (SNPs) and ovarian cancer (OC) risk remains controversial. This systematic review and network meta‐analysis was aimed to determine the association between SNPs and OC risk.MethodsSeveral databases (PubMed, EMBASE, China National Knowledge Infrastructure, Wanfang databases, China Science and Technology Journal Database, and China Biology Medicine disc) were searched to summarize the association between SNPs and OC published throughout April 2021. Direct meta‐analysis was used to identify SNPs that could predict the incidence of OC. Ranking probability resulting from network meta‐analysis and the Thakkinstian’s algorithm was used to select the most appropriate gene model. The false positive report probability (FPRP) and Venice criteria were further tested for credible relationships. Subgroup analysis was also carried out to explore whether there are racial differences.ResultsA total of 63 genes and 92 SNPs were included in our study after careful consideration. Fok1 rs2228570 is likely a dominant risk factor for the development of OC compared to other selected genes. The dominant gene model of Fok1 rs2228570 (pooled OR = 1.158, 95% CI: 1.068–1.256) was determined to be the most suitable model with a FPRP <0.2 and moderate credibility.ConclusionsFok1 rs2228570 is closely linked to OC risk, and the dominant gene model is likely the most appropriate model for estimating OC susceptibility.
Comparative Content, Biological and Anticancer Activities of Heracleum humile Extracts Obtained by Ultrasound‐Assisted Extraction Method
Authors: Ocal Mustafa , Altunoglu Yasemin Celik , Angeloni Simone , Mustafa Ahmed M. , Caprioli Giovanni , Zengin Gokhan , Paksoy Mehmet Yavuz , Baloglu Mehmet Cengiz 
Published: May 2022

AbstractAs the safety and effectiveness of synthetic drugs remain in doubt, researchers are trying to develop natural medicines from medicinal plants. Herein, ethyl acetate, methanol and water extracts from the Heracleum humile plant were obtained by an ultrasonic‐assisted extraction process and the aim was to evaluate some biological effects of the extracts due to the limited data on the pharmacological properties of Heracleum humile in the literature. Weak antibacterial activity was observed on tested bacterial species. The minimum inhibitory concentration and the minimum bactericidal concentration values ranged from 250 to 500 μg/mL. In addition, cytotoxic activity was determined using the MTT test. The strongest findings were determined for ethyl acetate extract on the MDA‐MB‐231 cell lines at the 48th hour (IC50:97.94 μg/mL), followed by the MCF‐7 cell lines at the 24th hour (IC50:103.9 μg/mL). All extracts of Heracleum humile contained mainly flavonoids, phenolic acids and their derivatives, i. e., well‐known compounds that possess numerous biological activities such as antioxidant, anti‐inflammatory, anticancer, antimicrobial etc. The study results could provide important information that Heracleum humile could be a potential candidate as a natural enzyme inhibitor. It can be concluded that these extracts could be useful in the elementary step of improving novel plant‐derived multifunctional pharmaceuticals.
Why Omicron Variant of SARS‐CoV‐2 is Less Fatal?
Authors: Liao Lipeng , Zhang Jiaming , Wang Yuchuan , Liu Qiuyun 
Published: May 2022

AbstractThe article published by Nie et al. addressed one of the two key questions regarding the Omicron variant of SARS‐CoV‐2, while the underpinning for the less deadly nature of the variant remains unexplained. The proteins of the Omicron variant have numerous mutations, notably several substitutions of other amino acids by lysine residues. Glycine and valine attract calcium and enhance the formation of stressful, insoluble, and stiff calcium oxalate. Lysine residues in proteins build up chloride via ionic bonds which solubilizes insoluble and rigid divalent salts. The aforementioned mutations have weakened the lethalness of the Omicron variant perhaps via a biochemical mechanism. Despite net gain in favorable mutations versus deleterious mutations, the overall valine plus glycine content is still high in the proteins of Omicron variant of SARS‐CoV‐2, which remains a public health concern.
Colorimetric High‐Throughput Screening Method for Directed Evolution of Prazole Sulfide Monooxygenase
Authors: Liu Feng , Geng Qiang , Zhao Chen , Ren Shi‐Miao , Yu Hui‐Lei , Xu Jian‐He 
Published: May 2022

AbstractBaeyer‐Villiger monooxygenases (BVMOs) are important biocatalysts for the enzymatic synthesis of chiral sulfoxides, including chiral sulfoxide‐type proton pump inhibitors for the treatment of gastrointestinal diseases. However, native BVMOs are not yet suitable for practical application due to their unsatisfactory activity and thermostability. Although protein engineering approaches can help address these issues, few feasible high‐throughput methods are available for the engineering of such enzymes. Herein, a colorimetric detection method to distinguish sulfoxides from sulfides and sulfones was developed for prazole sulfide monooxygenases. Directed evolution enabled by this method has identified a prazole sulfide monooxygenase CbBVMO variant with improved activity and thermostability that catalyzes the asymmetric oxidation of lansoprazole sulfide. A 71.3 % increase in conversion and 6 °C enhancement in the melting point were achieved compared with the wild‐type enzyme. This new method is feasible for high‐throughput screening of prazole sulfide monooxygenase variants with improved activity, thermostability, and/or substrate specificity.
Identification of the genetic central dogma in osteogenic differentiation of MSCs by osteoinductive medium from transcriptional data sets
Authors: Jiang Tong‐Meng 
Published: May 2022

AbstractBackgroundThe genetic central dogma (GCD) has been demonstrated its essential function in many biological processes and diseases. However, its roles in the process of osteogenic differentiation of mesenchymal stem cells (MSCs) remain unclear.MethodsIn this project, we analyzed an online database of osteogenic differentiation of MSCs after 14 days and 28 days by osteoinductive medium (GSE83770). The differentially expressed genes were screened by GEO2R, with further conducting of KEGG pathways using DAVID. In addition, protein–protein interactions of the enriched pathways were performed using STRING with marked hub genes measured by the CytoHubba. Hub genes were verified by quantitative reverse‐transcription polymerase chain reaction.ResultsResults showed that six pathways related to GCD, including DNA replication, Aminoacyl‐tRNA biosynthesis, Mismatch repair, Ribosome, Spliceosome, and RNA degradation pathways enriched in the early stage (14 days vs. undifferentiated MSCs) of osteogenesis. The Lysosome pathway was highly enriched in the late stage (28 vs. 14 days) of osteogenesis, and Ribosome pathway plays a key role throughout the entire process (28 days vs. undifferentiated MSCs) of osteogenesis.ConclusionBoth DNA replication and protein translation were functionally worked in the early stage of osteogenesis, whereas the Lysosome pathway was the only GCD‐related one in the late stage of osteogenesis. The GCD‐related Ribosome pathway occupied the entire process of osteogenesis.
Grayscale image statistics of COVID‐19 patient CT scans characterize lung condition with machine and deep learning
Authors: Ghashghaei Sara , Wood David A. , Sadatshojaei Erfan , Jalilpoor Mansooreh 
Published: May 2022

AbstractBackgroundGrayscale image attributes of computed tomography (CT) of pulmonary scans contain valuable information relating to patients with respiratory ailments. These attributes are used to evaluate the severity of lung conditions of patients confirmed to be with and without COVID‐19.MethodFive hundred thirteen CT images relating to 57 patients (49 with COVID‐19; 8 free of COVID‐19) were collected at Namazi Medical Centre (Shiraz, Iran) in 2020 and 2021. Five visual scores (VS: 0, 1, 2, 3, or 4) are clinically assigned to these images with the score increasing with the severity of COVID‐19‐related lung conditions. Eleven deep learning and machine learning techniques (DL/ML) are used to distinguish the VS class based on 12 grayscale image attributes.ResultsThe convolutional neural network achieves 96.49% VS accuracy (18 errors from 513 images) successfully distinguishing VS Classes 0 and 1, outperforming clinicians’ visual inspections. An algorithmic score (AS), involving just five grayscale image attributes, is developed independently of clinicians’ assessments (99.81% AS accuracy; 1 error from 513 images).ConclusionGrayscale CT image attributes can be successfully used to distinguish the severity of COVID‐19 lung damage. The AS technique developed provides a suitable basis for an automated system using ML/DL methods and 12 image attributes.
An Introduction to the Combustion of Carbon Materials
Authors: Picheau Emmanuel , Amar Sara , Derré Alain , Pénicaud Alain , Hof Ferdinand 
Published: May 2022

AbstractCombustion is arguably as old as homo sapiens ability to observe and use fire. Despite the long tradition of using carbon combustion for energy production, this reaction is still not fully understood. This can be related to several facts that are intertwined and complicate the investigation, such as the large variety of possible carbon structures, the actual surface structure, porosity, the solid‐gas nature of this reaction, diffusion limitation and fundamental reaction steps. In this review, a brief history of carbon combustion science is given, followed by a detailed discussion of the most important aspects of carbon combustion. Special attention is given to limitations for example diffusion. In carbon combustion, kinetic control can rarely be observed. The literature of the fundamental reaction steps actually occurring on the carbon framework is reviewed and it becomes apparent that the reaction is occurring primarily on defects on the basal plane. Thus, the reaction between oxygen and carbon may be used as an analytical tool to provide further insights into novel materials, for example synthetic carbon materials, fibres and graphene type materials. Mastering the combustion reaction in all its complexity may prove to be very valuable in the future.
An Expedient Method for the Umpolung Coupling of Enols with Heteronucleophiles**
Authors: García‐Vázquez Víctor , Carretero Cerdán Alba , Sanz‐Marco Amparo , Gómez‐Bengoa Enrique , Martín‐Matute Belén 
Published: May 2022

AbstractIn this paper, we present an unprecedented and general umpolung protocol that allows the functionalization of silyl enol ethers and of 1,3‐dicarbonyl compounds with a large range of heteroatom nucleophiles, including carboxylic acids, alcohols, primary and secondary amines, azide, thiols, and also anionic carbamates derived from CO2. The scope of the reaction also extends to carbon‐based nucleophiles. The reaction relies on the use of 1‐bromo‐3,3‐dimethyl‐1,3‐dihydro‐1λ3[d][1,2]iodaoxole, which provides a key α‐brominated carbonyl intermediate. The reaction mechanism has been studied experimentally and by DFT, and we propose formation of an unusual enolonium intermediate with a halogen‐bonded bromide.
Biomimetic Synthesis of Nor‐Cedrene and Nor‐Isozizaene Sesquiterpenoids and Exploration of Their Olfactive Properties
Authors: Georgiev Tony , Armanino Nicolas 
Published: May 2022

AbstractWe report the preparation of nor‐bisabolyl epoxide13and its use as a common biomimetic intermediate for the synthesis of nor‐sesquiterpenoids. Through a cationic cyclization cascade pathway, we prepared nor‐isozizaenol25, ultimately constituting an eight‐step access to this complex sesquiterpenoid from inexpensive and abundant starting materials. Using a radical cyclization cascade pathway, we prepared nor‐cedryl alcohol26from the same intermediate. Derivatization of these two products led to the discovery of two potent woody odorants of interest in perfumery.
Reactive Oxygen Species (ROS) Activated Liposomal Cell Delivery using a Boronate‐Caged Guanidine Lipid
Authors: Lou Jinchao , Qualls Megan L. , Hudson Macy M. , McBee Dillon P. , Baccile Joshua A. , Best Michael D. 
Published: May 2022

AbstractWe report boronate‐caged guanidine‐lipid 1 that activates liposomes for cellular delivery only upon uncaging of this compound by reactive oxygen species (ROS) to produce cationic lipid products. These liposomes are designed to mimic the exceptional cell delivery properties of cell‐penetrating peptides (CPPs), while the inclusion of the boronate cage is designed to enhance selectivity such that cell entry will only be activated in the presence of ROS. Boronate uncaging by hydrogen peroxide was verified by mass spectrometry and zeta potential (ZP) measurements. A microplate‐based fluorescence assay was developed to study the ROS‐mediated vesicle interactions between 1‐liposomes and anionic membranes, which were further elucidated via dynamic light scattering (DLS) analysis. Cellular delivery studies utilizing fluorescence microscopy demonstrated significant enhancements in cellular delivery only when 1‐liposomes were incubated with hydrogen peroxide. Our results showcase that lipid 1 exhibits strong potential as an ROS‐responsive liposomal platform for targeted drug delivery applications.
Design Concepts of Transition Metal Dichalcogenides for High‐Performance Aqueous Zn‐Ion Storage
Authors: Li Shengwei , Liu Yongchang , Tan Yan , Li Ping , Qu Xuanhui 
Published: May 2022

AbstractAqueous Zn‐ion batteries (AZIBs) are considered as promising large‐scale energy storage devices due to their high safety and low cost. Transition metal dichalcogenides (TMDs) as the potential aqueous Zn‐storage cathode materials are under the research spotlight because of their facile 2D ion‐transport channels and weak electrostatic interactions with Zn2+. In this concept article, we summarize the intrinsic structural features and aqueous Zn‐storage mechanisms of the TMDs‐based electrodes. More significantly, the latest design concepts of TMDs materials for high‐performance AZIBs are discussed in detail from three aspects of interlayer expansion engineering, phase transition engineering, and structure defects engineering. Finally, the current challenges facing TMDs cathodes and possible remedies are outlined for future developments towards efficient, rapid, and stable aqueous Zn‐ion storage.
Alkylation of Nitroarenes via Vicarious Nucleophilic Substitution – Experimental and DFT Mechanistic Studies
Authors: Antoniak Damian , Pałuba Bartosz , Basak Tymoteusz , Błaziak Kacper , Barbasiewicz Michał 
Published: May 2022

AbstractAlkylation of nitroarenes via Vicarious Nucleophilic Substitution (VNS) was tested experimentally and modelled with DFT calculations. Mechanistic studies reveal intrinsic differences between reactions of archetypal carbanion precursor PhSO2CH2Cl, and alkyl phenyl sulfones, in which benzenesulfinate acts as a leaving group. Accordingly, for the latter precursors steric hindrance develops at the β‐elimination step, that raises energy barrier and results in the formation of byproducts.
Autotuning of Vibrational Strong Coupling for Site‐Selective Reactions
Authors: Hirai Kenji , Ishikawa Hiroto , Takahashi Yasufumi , Hutchison James A. , Uji‐i Hiroshi 
Published: May 2022

AbstractSite‐selective chemistry opens new paths for the synthesis of technologically important molecules. When a reactant is placed inside a Fabry–Perot (FP) cavity, energy exchange between molecular vibrations and resonant cavity photons results in vibrational strong coupling (VSC). VSC has recently been implicated in modified chemical reactivity at specific reactive sites. However, as a reaction proceeds inside an FP cavity, the refractive index of the reaction solution changes, detuning the cavity mode away from the vibrational mode and weakening the VSC effect. Here we overcome this issue, developing actuatable FP cavities to allow automated tuning of cavity mode energy to maintain maximized VSC during a reaction. As an example, the site‐selective reaction of the aldehyde over the ketone in 4‐acetylbenzaldehyde is achieved by automated cavity tuning to maintain optimal VSC of the ketone carbonyl stretch during the reaction. A nearly 50 % improvement in site‐selective reactivity is observed compared to an FP cavity with static mirrors, demonstrating the utility of actuatable FP cavities as microreactors for organic chemistry.
Redox‐Switchable Complexes Based on Nanographene‐NHCs
Authors: Ruiz‐Zambrana César , Dubey Rajeev K. , Poyatos Macarena , Mateo‐Alonso Aurelio , Peris Eduardo 
Published: May 2022

AbstractA series of rhodium and iridium complexes with a N‐heterocyclic carbene (NHC) ligand decorated with a perylene‐diimide‐pyrene moiety are described. Electrochemical studies reveal that the complexes can undergo two successive one‐electron reduction events, associated to the reduction of the PDI moiety attached to the NHC ligand. The reduction of the ligand produces a significant increase on its electron‐donating character, as observed from the infrared spectroelectrochemical studies. The rhodium complex was tested in the [3+2] cycloaddition of diphenylcyclopropenone and methylphenylacetylene, where it displayed a redox‐switchable behavior. The neutral complex showed moderate activity, which was suppressed when the catalyst was reduced.
Six‐Step Continuous Flow Synthesis of Diclofenac Sodium via Cascade Etherification/Smiles Rearrangement Strategy: Tackling the Issues of Batch Processing
Authors: Wang Lulu , Liu Minjie , Jiang Meifen , Wan Li , Li Weijian , Cheng Dang , Chen Fener 
Published: May 2022

AbstractDiclofenac sodium is a widely used nonsteroidal anti‐inflammatory drug (NSAID) as over‐the‐counter (OTC) medication for the treatment of inflammatory diseases. Herein, the development of an intensified six‐step continuous flow synthesis of diclofenac sodium from commercially available aniline and chloroacetic acid is described. A challenging and unprecedented etherification/Smiles rearrangement cascade of 2‐chloro‐N‐phenylacetamide and 2,6‐dichlorophenol into hydroxyacetyldiphenylamine operated with the precise control of reaction conditions in continuous flow was realized as the key step in this multistep synthetic chemistry. The undesired amide hydrolysis in Smiles rearrangement was addressed and the extra installation ofN‐chloroacetyl group in current industrial batch mode was avoided. Diclofenac sodium was obtained in 63 % isolated yield with an average yield of above 90 % for each step in a total residence time of 205 min.
Simulation‐Driven Design of an Additively Manufactured Reactor for Exothermic Liquid‐Liquid Reactions
Authors: Jastram Alexander , Schaack Senada , Kiener Christoph 
Published: May 2022

AbstractAdditive manufacturing opens new possibilities in the design of customized process units, creating new synergies with computer aided engineering methods. This work showcases a design process of an additively manufactured reactor for an exothermic liquid‐liquid reaction using a simulation‐driven design approach using up‐scale office‐standard computational resources. The ability to evaluate design changes quickly and cost‐effectively allows the engineering team to move from the requirements definition phase to a working reactor concept and printed prototype in less than three months.