bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bu4NHSO4‐Catalyzed Direct N‐Allylation of Pyrazole and its Derivatives with Allylic Alcohols in Water: A Metal‐Free, Recyclable and Sustainable System
Authors: Zhuang Hongfeng , Lu Nan , Ji Na , Han Feng , Miao Chengxia 
Published: September 2021

AbstractAllylic amines are valuable and functional building blocks. Direct N‐allylation of pyrazole and its derivatives as an atom economic strategy to provide allylic amines has been achieved only using commercial Bu4NHSO4 as the metal‐free catalyst and water as the solvent without any additives. 11–93% isolated yields were obtained for the N‐allylation of pyrazole and its derivatives with allylic alcohols. Bu4NHSO4 could be reused for six times by simple extraction nearly without loss of catalytic activity and was also suitable for a gram‐scale production. The reaction of allylic ether and pyrazole did not occur to give the desired product indicated that allylic ether was not the active intermediate in the pathway. Density functional theory (DFT) calculations reveal that there are hydrogen bonding effects among substrates, solvent and catalyst, especially the one formed between allylic alcohol and H2O. Control experiments in different protic solvents further demonstrate the intermolecular hydrogen bonding of allylic alcohol and water.magnified image
Carrier Dynamics in Alloyed Chalcogenide Quantum Dots and Their Light‐Emitting Devices
Authors: Li Zhaohan , Wei Jing , Wang Fangfang , Tang Yanan , Li Anming , Guo Yating , Huang Pan , Brovelli Sergio , Shen Huaibin , Li Hongbo 
Published: September 2021

AbstractLight‐emitting devices based on alloyed quantum dots have reached external quantum efficiencies above 20% in red, green, and blue emission devices. Their outstanding performances including high efficiency, long‐term device stability, and suppressed efficiency roll‐off identify alloyed‐quantum‐dot based light‐emitting devices as good candidates for next generation solid‐state lightings and displays. All these advantages stem from the chemical composition gradient of alloyed quantum dots in radial direction. The chemical composition gradient enables the lattice strain to be released gradually, eventually decreasing interface defects and suppressing Auger recombination. Carrier dynamics play a crucial role in the fundamental properties and functionalities of quantum dots for solid‐state devices and light‐emitting devices. A more in‐depth understanding of carrier dynamics in quantum dots is therefore of both fundamental and technological significance. This review article provides an overview on recent advances in the study and understanding of carrier dynamics of alloyed quantum dots and alloyed‐quantum‐dot based light‐emitting devices. Particular emphasis is placed on the relationship between Auger recombination and optical properties and optoelectronic properties. This review is expected to encourage further research in alloyed quantum dots and related devices and to stimulate new synthesis efforts to produce stable alloyed quantum dots with further improved control of carrier dynamics.
Aquaculture as a tool to support goby‐fry fishery? Current knowledge on biology and ecology of the red‐tailed goby Sicyopterus lagocephalus
Authors: Pouil Simon , Colsoul Bérenger 
Published: September 2021

AbstractSicydiinae species are amphidromous gobies, adults spawn in freshwater, whereas free embryos undergo a pelagic open sea phase. Post‐larvae or juveniles are caught for human consumption when entering in freshwater after their pelagic larvae life in seawater. Such goby‐fry fisheries are existing since centuries and widespread in tropical areas over the world. There are uncertainties related to caught volumes and trends but, overall, go‐fry fisheries are declining and their sustainability is questionable. Aquaculture is a potential tool in conservation and management of wild goby stocks. Among Sicydiinae species, the red‐tailed goby Sicyopterus lagocephalus is the most spread and used as a model species in numerous works involving amphidromous fish. The aim of the study was to evaluate the potential in aquaculture of the red‐tailed goby through the analysis of the literature available on this species. We found that this species has some assets to be a potential candidate for aquaculture such as a short production cycle and a high fecundity as well as potential high market values. Nevertheless, given the small size at hatching and the long pelagic larval life, larval rearing is likely to be a challenging rearing phase but appears to be feasible based on past experiences with other goby species. Throughout the paper, we provided recommendations for future research in red‐tailed goby aquaculture.
Enantioselective Gel Phase Synthesis of Metal–Organic Materials
Authors: Ghosh Dipankar , Górecki Marcin , Pescitelli Gennaro , Damodaran Krishna K. 
Published: September 2021

AbstractWe report the asymmetric synthesis of homochiral metal–organic materials (MOMs) in chiral gels from achiral components. The enantioselectivity of MOMs depends on the chirality of the gel, whereas the synthesis performed in solution phase and achiral gels resulted in conglomerates.
O2‐Assisted Four‐Component Reaction of Vinyl Magnesium Bromide with Chiral N‐tert‐Butanesulfinyl Imines To Form syn‐1,3‐Amino Alcohols
Authors: Wang Runping , Luo Jingfan , Zheng Chunmei , Zhang Hongyun , Gao Lu , Song Zhenlei 
Published: September 2021

AbstractAn O2‐assisted, four‐component reaction has been developed to synthesize a wide range of syn‐1,3‐amino alcohols in one step. The reaction proceeds by oxygenation of vinyl magnesium bromide (component‐I) with O2 (component‐II) to give a magnesium enolate of acetaldehyde, which undergoes addition to a chiral N‐tert‐butanesulfinyl imine (component‐III) followed by a sequential addition with excess vinyl magnesium bromide (component‐IV). The approach allows diastereoselective synthesis of anti/syn‐ and syn/syn‐3‐amino‐1,5‐diols in good yields with high diastereoselectivity. The method was illustrated in an efficient, four‐step synthesis of piperidine alkaloid (−)‐2′‐epi‐ethylnorlobelol.
Advances in non‐palladium‐catalysed Stille couplings
Authors: Aleena Mary Baby , Philip Rose Mary , Anilkumar Gopinathan 
Published: September 2021

Stille coupling is regarded as a powerful tool in the synthesis of a wide range of functionalised C–C bonds due to the high stability, availability and broad functional group compatibility of the organostannanes. This is the first review solely focused on the role of the non‐palladium transition metals in Stille coupling with emphasis on their catalytic capacity and mechanistic details. Several transition metals including Mn, Ni, Cu, Rh, Pt, and Au are found highly efficient in the coupling with Cu having the largest reports. Importantly, Cu‐catalysed Stille couplings formed the key stages in the synthesis of therapeutic molecules like 4(S)‐11‐diHDHA and Spliceostatin derivatives.Greener protocols including reusable heterogeneous catalytic systems are promising alternatives and some have even shown dominance over Pd catalysts. This review comprises all available literature on non‐palladium Stille coupling up to June 2021.
Nanosensing colon cancer biomarker on zeolite‐modified gap‐fingered dielectrodes
Authors: Gao Ming , Sun Yuansong , Wang Qi , Ma Shuaiting , Guo Xinwei , Zhou Lingling , Chen Yeng , Marimuthu Kasi , Gopinath Subash C.B. 
Published: September 2021

AbstractNanomaterial on the sensing area elevates the biomolecular immobilization by its right orientation with a proper alignment, and zeolite is one of the suitable materials. In this research, the zeolite nanoparticles were synthesized using rice hush ash as the basic source and the prepared zeolite by the addition of sodium silicate was utilized to attach antibody as a probe on a gap‐fingered dielectrode surface to identify the colon cancer biomarker, “colon cancer‐secreted protein‐2” (CCSP‐2). Field Emission Scanning Electron Microscopy and Field Emission Transmission Electron Microscopy images confirmed the size of the nanoparticle to be ∼15 nm and the occurrence of silica and alumina. Zeolite was modified on the electrode surface through the amine linker, and then anti‐CCSP‐2 was attached by an aldehyde linker. On this surface, CCSP‐2 was detected and attained the detection limit to be 3 nM on the linear regression curve with 3–5 nM of CCSP‐2. Estimated by the determination coefficient of y = 2.3952x – 4.4869 and R2 = 9041 with 3δ (n = 3). In addition, control proteins did not produce the notable current response representing the specific sensing of CCSP‐2. This research is suitable to identify CCSP‐2 at a lower level in the bloodstream under the physiological condition of a colon cancer patient.
Monitoringbasierter Ermüdungsnachweis der genieteten Stahlkonstruktion einer Bahnbrücke
Authors: Schiltz Philippe , Brühwiler Eugen 
Published: September 2021

AbstractDie Ermüdungssicherheit einer Bahnbrücke in genieteter Stahlbauweise mit aufgesetztem Schottertrog, die seit 1897 in Betrieb ist, wurde anhand eines Monitorings nachgewiesen. Es wurde die Ermüdungsbeanspruchung durch 52.060 Züge während 414 Messtagen aufgenommen. Die größten gemessenen Spannungswerte von 33 MPa traten im maßgebenden Zuggurt in Feldmitte des Fachwerkträgers einer Spannweite von 20 m auf und wurden durch die Lokomotiven erzeugt. Die für den Ermüdungsnachweis maßgebenden Spannungsdifferenzen waren damit deutlich kleiner als die Dauerfestigkeit des Nietdetails. Die Ermüdungssicherheit wurde somit aufgrund des Monitorings bereits auf der Stufe der Dauerfestigkeit nachgewiesen. Die Nietkonstruktion ist folglich betreffend Ermüdung nicht kritisch und wird im Hinblick auf eine lange künftige Nutzungsdauer ertüchtigt. Die Messungen zeigen außerdem die erwarteten großen Unterschiede zwischen gemessenen und anhand einer Nachrechnung berechneten Spannungsgrößen.
Determination of progesterone (steroid drug) in the semi‐solid dosage form (vaginal gel) using a stability‐indicating method by RP‐HPLC/PDA detector
Authors: Konduru Naresh , Kethe Vijay Babu , Gundla Rambabu , Katari Naresh Kumar , Mallavarapu Ravindra 
Published: September 2021

AbstractA simple stability‐indicating method was developed and validated for the determination of progesterone (a steroid drug) in the semi‐solid dosage form. All the impurities were separated from the main compound with a simple stationary phase (Eclipse XDB, C8, 150 × 4.6 mm, 5 μm). The mobile phase A contained phosphate buffer and acetonitrile in the ratio of 90:10, v/v, and mobile phase B contained purified water and acetonitrile in the ratio of 10:90, v/v. The optimized chromatographic conditions were as follows: flow rate, 1.0 mL min−1; UV detection, 241 nm; injection volume, 10 μL; and the column temperature, 30°C. The method was validated as per the current ICH Q2 guidelines. The recovery study and linearity ranges were established from 50 to 300% optimal concentrations. The method validation results were found between 98 and 102% for accuracy and r2 = 0.999 for linearity. Forced degradation in hydrolytic, oxidative, thermolytic, and photostability conditions was performed, and the stability indicating nature of the method was proved. Based on the validation and forced degradation results, the current method was found to be specific, precise, accurate, linear, robust, and stability‐indicating method. The developed method was cost effective and easy to handle for quality control analysis.
Increased risk of second primary malignancies among endometrial cancer survivors receiving surgery alone: A population‐based analysis
Authors: Lai Yen‐Ling , Chiang Chun‐Ju , Chen Yu‐Li , You San‐Lin , Chen Yun‐Yuan , Chiang Ying‐Cheng , Tai Yi‐Jou , Hsu Heng‐Cheng , Chen Chi‐An , Cheng Wen‐Fang 
Published: September 2021

AbstractBackgroundWomen with endometrial cancer (EC) have favorable prognoses, leaving them vulnerable to the development of second primary cancers (SPCs). We investigated the SPC risk and survival outcomes among EC patients treated with surgery alone in order to exclude the impact of adjuvant treatment on the results.MethodsData from the Taiwan Cancer Registry from 1995 to 2013 were analyzed. Standardized incidence ratios (SIRs) of SPCs among EC survivors were calculated.ResultsAmong 7725 women enrolled, 478 developed an SPC. The overall SIR for SPCs in EC survivors was 2.84 (95% confidence interval [CI] 2.59–3.10) compared with the general female population. Women diagnosed with EC at age <50 years had a higher SIR for an SPC than those diagnosed at age ≥50 years (SIR = 4.38 vs. 1.28). The most frequent site of an SPC was the small intestine (SIR = 8.39, 95% CI 2.72–19.58), followed by the kidney (SIR = 4.84, 95% CI 1.78–10.54), and oral cavity (SIR = 4.52, 95% CI 2.17–8.31). Women, regardless of age at EC diagnosis, had significantly higher SIRs for subsequent breast, colorectal, lung, and thyroid cancer, and lymphoma. Women with an SPC had shorter overall survival than those without (5‐year: 88.9 vs. 94.2%, 10‐year: 71.3 vs. 89.8%, 15‐year: 62.3 vs. 86.1%, and 20‐year: 47.6 vs. 81.1%, all ps<0.001).ConclusionsEven women treated for EC with surgery alone, especially young EC survivors, had an increased risk of SPCs. Genetic counseling/testing is recommended for young EC patients, and all are recommended to receive regular surveillance and screening for breast, colorectal, and lung cancers.
Exercise intervention decreases acute and late doxorubicin‐induced cardiotoxicity
Authors: Wang Fei , Chandra Joya , Kleinerman Eugenie S. 
Published: September 2021

AbstractBackgroundDoxorubicin (Dox) is one of the most effective chemotherapy agents used to treat adolescent and young adult sarcoma patients. Unfortunately, Dox causes cardiotoxicities that compromise long‐term survival. We investigated whether exercise prevented cardiotoxicity and increased survival following myocardial infarction.MethodsJuvenile mice received Dox, Dox + exercise (Exer), Dox then exercise or were exercised during and after Dox. Mice were evaluated by echocardiography and histology immediately after therapy and 12 weeks later. Mice subjected to permanent ligation of the left anterior descending artery 90 days after therapy were assessed for survival at 45 and 100 days.ResultsMice treated with Dox, but not Dox + Exer, had decreased ejection fraction (EF) and fractional shortening (FS) immediately after Dox therapy, which continued to deteriorate over 12 weeks with the development of diastolic failure and fibrosis. Acute Dox‐induced cardiotoxicity was documented by induction of autophagy and abnormal mitochondria and vascular architecture with decreased pericytes. These abnormalities persisted 12 weeks after therapy. These acute and late changes were not seen in the Dox + Exer group. Initiating exercise after Dox therapy promoted recovery of EF and FS with no functional or histologic evidence of Dox‐induced damage 12 weeks after therapy. Survival rates at 100 days after MI were 67% for control mice, 22% for mice that received Dox alone, and 56% for mice that received Dox + Exer.ConclusionsExercise inhibited both early and late Dox‐induced cardiotoxicity and increased recovery from an ischemic event. Exercise interventions have the potential to decrease Dox‐induced cardiac morbidity.
A retrospective records study of patterns in mental health and criminal justice service use by people found not criminally responsible on account of mental disorder
Authors: Vaughan Adam D. , Hewitt Ashley N. , Verdun‐Jones Simon N. , Brink Johann 
Published: September 2021

AbstractBackgroundWhile the presence or absence of previous healthcare and criminal justice system (CJS) contacts in the histories of mentally ill offenders has been well‐studied, the frequency of these contacts and when they occur in the period leading up to an index criminal event has received less research attention.AimsTo explore patterns of healthcare and CJS use in the year prior to a criminal act leading to a Not Criminally Responsible on Account of Mental Disorder (NCRMD) finding in Canada.MethodsIn this 3‐year retrospective records study, the case files of all patients newly admitted to the British Columbia forensic psychiatric system after a finding of NCRMD between 1st July 2012 and 31st July 2015 were reviewed. Data were extracted on healthcare and CJS use for the 12 months before the act leading to the NCRMD finding. Time‐based descriptive statistics and two‐step cluster analysis were used to investigate service use patterns.ResultsAmong 94 eligible patients, only four had no service contacts in the year leading up to the index event, leaving 90 in the cohort for further analysis. On average, these 90 patients had seven contacts with health or criminal justice services in the year prior to the index offence. Cluster analysis revealed a high healthcare pathway group who had had many healthcare and few CJS contacts; a limited service user group who had had few contacts of any kind and a heavy service user group who had had a high volume of contacts with both types of service providers.ConclusionsThe different patterns of patient contact prior to the index event imply that each practitioner‐type has distinct and temporally relevant opportunities to provide preventative interventions to their patients or user groups.
Regulating Lithium Plating and Stripping by Using Vertically Aligned Graphene/CNT Channels Decorated with ZnO Particles
Authors: Chen Shang , Tao Kangjia , Chen Xin , Meng Yongqiang , Wang Manyun , Zhou Ji , Chen Chao , Wang Yulin , Nam Hui Kwun , Bielawski Christopher W. , Geng Jianxin 
Published: September 2021

AbstractLithium (Li) metal is regarded as the ultimate anode material for use in Li batteries due to its high theoretical capacity (3860 mA h g−1). However, the Li dendrites that are generated during iterative Li plating/stripping cycles cause poor cycling stability and even present safety risks, and thus severely handicap the commercial utility of Li metal anodes. Herein, we describe a graphene and carbon nanotube (CNT)‐based Li host material that features vertically aligned channels with attached ZnO particles (designated ZnO@G‐CNT‐C) and show that the material effectively regulates Li plating and stripping. ZnO@G‐CNT‐C is prepared from an aqueous suspension of Zn(OAc)2, CNTs, and graphene oxide by using ice to template channel growth. ZnO@G‐CNT‐C was found to be mechanically robust and capable of guiding Li deposition on the inner walls of the channels without the formation of Li dendrites. When used as an electrode, the material exhibits relatively low polarization for Li plating, fast Li‐ion diffusion, and high Coulombic efficiency, even over hundreds of Li plating/stripping cycles. Moreover, full cells prepared with ZnO@G‐CNT‐C as Li host and LiFePO4 as cathode exhibit outstanding performance in terms of specific capacity (155.9 mA h g−1 at 0.5 C), rate performance (91.8 mA h g−1 at 4 C), cycling stability (109.4 mA h g−1 at 0.5 C after 800 cycles). The methodology described can be readily adapted to enable the use of carbon‐based electrodes with well‐defined channels in a wide range of contemporary applications that pertain to energy storage and delivery.
Cellular resolution anatomical and molecular atlases for prenatal human brains
Authors: Ding Song‐Lin , Royall Joshua J. , Lesnar Phil , Facer Benjamin A.C. , Smith Kimberly A. , Wei Yina , Brouner Kristina , Dalley Rachel A. , Dee Nick , Dolbeare Tim A. , Ebbert Amanda , Glass Ian A. , Keller Nika H. , Lee Felix , Lemon Tracy A. , Nyhus Julie , Pendergraft Julie , Reid Robert , Sarreal Melaine , Shapovalova Nadiya V. , Szafer Aaron , Phillips John W. , Sunkin Susan M. , Hohmann John G. , Jones Allan R. , Hawrylycz Michael J. , Hof Patrick R. , Ng Lydia , Bernard Amy , Lein Ed S. 
Published: September 2021

AbstractIncreasing interest in studies of prenatal human brain development, particularly using new single‐cell genomics and anatomical technologies to create cell atlases, creates a strong need for accurate and detailed anatomical reference atlases. In this study, we present two cellular‐resolution digital anatomical atlases for prenatal human brain at postconceptional weeks (PCW) 15 and 21. Both atlases were annotated on sequential Nissl‐stained sections covering brain‐wide structures on the basis of combined analysis of cytoarchitecture, acetylcholinesterase staining, and an extensive marker gene expression dataset. This high information content dataset allowed reliable and accurate demarcation of developing cortical and subcortical structures and their subdivisions. Furthermore, using the anatomical atlases as a guide, spatial expression of 37 and 5 genes from the brains, respectively, at PCW 15 and 21 was annotated, illustrating reliable marker genes for many developing brain structures. Finally, the present study uncovered several novel developmental features, such as the lack of an outer subventricular zone in the hippocampal formation and entorhinal cortex, and the apparent extension of both cortical (excitatory) and subcortical (inhibitory) progenitors into the prenatal olfactory bulb. These comprehensive atlases provide useful tools for visualization, segmentation, targeting, imaging, and interpretation of brain structures of prenatal human brain, and for guiding and interpreting the next generation of cell census and connectome studies.
Predicting time to relapse in acute myeloid leukemia through stochastic modeling of minimal residual disease based on clonality data
Authors: Dinh Khanh N. , Jaksik Roman , Corey Seth J. , Kimmel Marek 
Published: September 2021

AbstractEvent‐free and overall survival remain poor for patients with acute myeloid leukemia. Chemoresistant clones contributing to relapse arise from minimal residual disease (MRD) or newly acquired mutations. However, the dynamics of clones comprising MRD is poorly understood. We developed a predictive stochastic model, based on a multitype age‐dependent Markov branching process, to describe how random events in MRD contribute to the heterogeneity in treatment response. We employed training and validation sets of patients who underwent whole‐genome sequencing and for whom mutant clone frequencies at diagnosis and relapse were available. The disease evolution and treatment outcome are subject to stochastic fluctuations. Estimates of malignant clone growth rates, obtained by model fitting, are consistent with published data. Using the estimates from the training set, we developed a function linking MRD and time of relapse with MRD inferred from the model fits to clone frequencies and other data. An independent validation set confirmed our model. In a third dataset, we fitted the model to data at diagnosis and remission and predicted the time to relapse. As a conclusion, given bone marrow genome at diagnosis and MRD at or past remission, the model can predict time to relapse and help guide treatment decisions to mitigate relapse.