bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Coordinatively Unsaturated Sites in MOF‐Derived Highly Porous CuO for Catalyst‐Free ppb‐Level Gas Sensors
Authors: Kim Kyusung , Choi Pil Gyu , Itoh Toshio , Masuda Yoshitake 
Published: July 2021

AbstractHerein, the authors successfully synthesize diamond‐ and square‐type Cu‐metal–organic frameworks (MOFs) and then convert them to highly porous CuO nanostructures with maintaining their morphology. Both the CuO‐diamond (CuO‐D) and CuO‐square (CuO‐S) gas sensors can detect a tiny concentration of acetone gas up to 50 ppb. However, the gas sensitivity depends on the morphology and the CuO‐D exhibits a higher gas response (Rg/Ra: 3.3) for 1 ppm of acetone as compared with CuO‐S sensors (Rg/Ra: 2.5). The mainly exposed crystal facet on the surface significantly affects the sensor performance. Especially, coordinatively unsaturated metal sites in an exposed facet can allow enhancing the sensitivity. The (111) facet is the main exposed facet of CuO‐D and it includes Cu3‐fold which is a coordinatively unsaturated metal site. These relatively unstable Cu3‐fold sites are favorable to react with other molecules to stabilize themselves as compared with coordinatively saturated Cu4‐fold. Thus, CuO‐D demonstrates higher sensitivity as compared to CuO‐S, which is the main reaction surface as (020) facet composed only of Cu4‐fold.
Impact of tank mixing plant hormones with bentazon and mesotrione on sweetpotato injury and weed control
Authors: Caputo Giovanni A. , Wadl Phillip A. , McCarty Lambert , Adelberg Jeffrey , Saski Christopher , Cutulle Matthew 
Published: July 2021

AbstractDue to excessive crop damage, currently, there are no selective postemergent (POST) herbicides registered for sweetpotato [Ipomoea batatas (L.) Lam] to control broadleaves and nutsedge species. Expansion of bentazon and mesotrione herbicide labels to include sweetpotato would be beneficial for growers. Two experiments were conducted. The first evaluated the dose response of sweetpotato cultivars Beauregard and Covington to bentazon (514, 1,028, and 1,542, g a.i. ha–1) and mesotrione (105, 210, and 315 g a.i. ha–1) when melatonin, 24‐epibrassinolide, or ascorbic acid (AsA) were included in the tank mix. The second experiment evaluated the efficiency of bentazon and mesotrione for control of yellow nutsedge (Cyperus esculentus L.) and Palmer amaranth (Amaranthus palmeri S. Wats.), when different doses of melatonin, 24‐epibrassinolide, or AsA were added to each herbicide. In the first experiment, when treated with herbicide alone, Beauregard exhibited injury levels lower than Covington for both herbicides. No injury was observed when plants were treated with plant hormones or AsA alone. At the lowest dose of bentazon and mesotrione, the addition of AsA or plant hormones in the tank mix significantly reduced percentage injury and increased plant tolerance, requiring higher doses of herbicide to cause 10, 20, and 30% injury. In the second experiment, the addition of plant hormones and AsA in the tank mix had no antagonistic effect on herbicide effectiveness, exhibiting similar levels of injuries as herbicides application alone. These results suggest that the use of plant hormones and AsA could improve sweetpotato tolerance to POST applications of bentazon and mesotrione without reducing herbicide effectiveness.
Romidepsin and lenalidomide‐based regimens have efficacy in relapsed/refractory lymphoma: Combined analysis of two phase I studies with expansion cohorts
Authors: Mehta‐Shah Neha , Lunning Matthew A. , Moskowitz Alison J. , Boruchov Adam M. , Ruan Jia , Lynch Peggy , Hamlin Paul A. , Leonard John , Matasar Matthew J. , Myskowski Patricia L. , Marzouk Evan , Nair Sumithra , Sholklapper Tamir , Minnal Veena , Palomba Maria L. , Vredenburgh James , Kumar Anita , Noy Ariela , Straus David J. , Zelenetz Andrew D. , Schoder Heiko , Rademaker Jurgen , Schaffer Wendy , Galasso Natasha , Ganesan Nivetha , Horwitz Steven M. 
Published: July 2021

AbstractRomidepsin (histone deacetylase inhibitor), lenalidomide (immunomodulatory agent), and carfilzomib (proteasome inhibitor), have efficacy and lack cumulative toxicity in relapsed/refractory lymphoma. We performed two investigator initiated sequential phase I studies to evaluate the maximum tolerated dose (MTD) of romidepsin and lenalidomide (regimen A) and romidepsin, lenalidomide, and carfilzomib (regimen B) in relapsed/refractory lymphoma. Cohorts in T‐cell lymphoma (TCL), B‐cell lymphoma (BCL) were enrolled at the MTD. Forty‐nine patients were treated in study A (27 TCL, 17 BCL, 5 Hodgkin lymphoma (HL)) and 27 (16 TCL, 11 BCL) in study B. The MTD of regimen A was romidepsin 14 mg/m2 IV on days 1, 8, and 15 and lenalidomide 25 mg oral on days 1–21 of a 28‐day cycle. The MTD of regimen B was romidepsin 8 mg/m2 on days 1 and 8, lenalidomide 10 mg oral on days 1–14 and carfilzomib 36 mg/m2 IV on days 1 and 8 of a 21‐day cycle. In study A, 94% had AEs ≥Grade 3, most commonly neutropenia (49%), thrombocytopenia (53%), and electrolyte abnormalities (49%). In study B 59% had AEs ≥Grade 3, including thrombocytopenia (30%) and neutropenia (26%). In study A the ORR was 49% (50% TCL, 47% BCL, 50% HL). In study B the ORR was 48% (50% TCL, 50% BCL). For study A and B the median progression free survival (PFS) was 5.7 months and 3.4 months respectively with 11 patients proceeding to allogeneic transplant. The combinations of romidepsin and lenalidomide and of romidepsin, lenalidomide and carfilzomib showed activity in relapsed/refractory lymphoma with an acceptable safety profile.
One‐pot Synthesis of Substituted Pyrazoles from Propargyl Alcohols via Cyclocondensation of in situ‐Generated α‐Iodo Enones/Enals and Hydrazine Hydrate
Authors: Guo Huifeng , Zhang Qinglin , Pan Wanyong , Yang Hong , Pei Keke , Zhai Jiulong , Li Tiantian , Wang Zhihai , Wang Yan , Yin Yan 
Published: July 2021

AbstractAn efficient Bi(OTf)3‐catalyzed transformation of unprotected propargylic alcohols has been developed, affording a general, one‐pot approach to access diverse pyrazoles via sequential iodo‐intercepted Meyer‐Schuster rearrangement, cyclocondensation of NH2NH2 ⋅ H2O and α‐iodo enones/enals generated in situ, and iodine elimination. This transformation tolerates a wide range of substrates and is reliable on a large scale. The high yields and convenient experimental operations make it a valuable method for the construction of pyrazole derivatives.
Significant enhancement of thermoelectric properties of conducting PTB7 polymer by addition of appropriate dopants
Authors: Rastegaralam Mina , Rastegaralam Mitra 
Published: July 2021

AbstractThermoelectric properties of poly({4,8‐bis [(2‐ethylhexyl)oxy] benzo [1,2‐b:4,5‐b'] dithiophene‐2,6‐ diyl}{3‐fluoro‐2‐ [(2‐ethylhexyl) carbonyl] thieno[3,4‐b] thiophenediyl}), commonly known as PTB7 conducting polymer was investigated for the first time by the first author in 2017, and it showed higher electrical conductivity or Seebeck coefficient (or even both) and hence, higher thermoelectric power factor than a variety of organic semiconductors. Therefore, it is worth working more on this semiconductor to improve its thermoelectric power factor. In this work, for the first time, 4 new dopants are introduced to PTB7 polymer to improve its thermoelectric properties. The materials are famous oxidants that are inexpensive and easily available with no need to perform any synthesis process, including antimony pentachloride (SbCl5), iron trichloride (FeCl3), thionyl chloride (SOCl2), and iodine (I2). As a result, significant enhancement of thermoelectric power factor after doping with antimony pentachloride (from 0.224 to 25.5 μWK−2 m−1,) and iron trichloride (from 0.224 to 18.2 μWK−2 m−1,) and moderate enhancement with thionyl chloride was obtained. For the case of iodine doping, simultaneous enhancement of electrical conductivity and Seebeck coefficient was observed due to increasing the mobility.
Symmetry Breaking and Autocatalytic Amplification in Soai Reaction Confined within UiO‐MOFs under Heterogenous Conditions.
Authors: Rotunno Giuseppe , Kaur Gurpreet , Lazzarini Andrea , Buono Carlo , Amedjkouh Mohamed 
Published: July 2021

AbstractSymmetry breaking is observed in the Soai reaction in a confinement environment provided by zirconium‐based UiO‐MOFs used as crystalline sponges. Subsequent reaction of encapsulated Soai aldehyde with Zn(i‐Pr)2 vapour promoted absolute asymmetric synthesis of the corresponding alkanol. ATR‐IR and NMR confirm integration of aldehyde into the porous material, and a similar localization of newly formed chiral alkanol after reaction. Despite the confinement, the Soai reaction exhibits significant activity and autocatalytic amplification. Comparative catalytic studies with various UiO‐MOFs indicate different outcomes in terms of enantiomeric excess, handedness distribution of the product and reaction rate, when compared to pristine solid Soai aldehyde, while the crystalline MOF remains highly stable to action of Zn(iPr)2 vapour. This is an unprecedented example of absolute asymmetric synthesis using MOFs.
Ruthenium Catalyzed Intramolecular C−X (X=C, N, O, S) Bond Formation via C−H Functionalization: An Overview
Authors: Singh Pallavi , Kumar Chouhan Kishor , Mukherjee Arup 
Published: July 2021

AbstractRuthenium catalyzed C−H activation is well known for its high tolerance towards the functional group and broad applicability in organic synthesis and molecular sciences, with significant applications in pharmaceutical industries, material sciences, and polymer industry. In the last few decades, enormous progress has been observed with ruthenium‐catalyzed C−H activation chemistry. Notably, the vast majority of the C−H functionalization known in the literature are intermolecular, although the intramolecular variant provides fascinating new structural facet starting from the simple molecular scaffolds. Intramolecular C−H functionalization is atom economical and step efficient, results in less formation of undesired products which is easy to purify. This has created a lot of interest in organic chemistry in developing new synthetic strategies for such functionalization. The focus of this review is to present the relatively unexplored intramolecular functionalization of C−H bonds into C−X (X=C, N, O, S) bonds utilizing versatile ruthenium catalysts, their scope, and brief mechanistic discussion.
Theoretical Assessment of Dinitrogen Fixation on Carbon Atom
Authors: Song Hayoung , Lee Eunsung 
Published: July 2021

AbstractDinitrogen activation in non‐metallic systems has received considerable attention in recent years. Herein, we report the theoretical feasibility of N2 fixation using aminocarbenes (L) or their anionic derivatives. The molecular descriptors of L and anionic L−, which affect the interaction of L and anionic L− with N2, were identified through multiple linear regression analysis. Additionally, the electron flow during C−N bond formation was confirmed by performing intrinsic reaction coordination calculations with intrinsic bond orbital analysis for the reaction of anionic L− with N2.
Atmospheric response to the North Pacific hotspot in idealized simulations: Application to explosive and binary cyclogenesis
Authors: Yamamoto Masaru 
Published: July 2021

AbstractMarginal seas of the western North Pacific Ocean act as a hotspot in winter, warming the marine atmosphere. The atmospheric response to lower‐level (below 700 hPa altitude) heating localized around this hotspot was studied using an idealized general circulation model with an assumed triangular hotspot. As simulated in previous studies, localized atmospheric heating over the mid‐latitude hotspot enhances the westerly jet core, forming a stationary Rossby wave north of the core. This study found that the hotspot remotely influences the Rossby wave source (the sum of vortex stretching and vorticity advection caused by the divergent flow) and temperature deviations at upper levels (200–300 hPa). These results are qualitatively consistent with the winter climatology. The idealized experiment was applied to explosive and binary extratropical cyclones (pairs of surface cyclones located north and south of the main Japanese islands). The active area of transient eddies at lower levels splits into two in the hotspot, leading to regional explosive development and the formation of binary cyclones through an enhanced meridionally elongated trough. The hotspot is an essential factor driving the bifurcation of cyclone tracks into the southern and northern areas of Japan, leading to binary cyclones.
Trends in cancer mortality in China from 2004 to 2018: A nationwide longitudinal study
Authors: Jiang Dongming , Zhang Lijuan , Liu Wenbin , Ding Yibo , Yin Jianhua , Ren Rongbing , Li Qi , Chen Yifan , Shen Jiaying , Tan Xiaojie , Zhang Hongwei , Cao Guangwen 
Published: July 2021

AbstractBackgroundThe long‐term trend in cancer death in a rapidly developing country provides information for cancer prophylaxis. Here, we aimed to identify the trends in cancer mortality in China during the 2004‐2018 period.MethodsUsing raw data from the national mortality surveillance system of China, we assessed the mortalities of all cancer and site‐specific cancers during the 2004‐2018 period. The participants were divided into three age groups: ≥65 years, 40‐64 years, and ≤39 years. Changing trends in cancer death by gender, residency, and tumor location were estimated using fitting joinpoint models to log‐transformed crude mortality rates (CMRs) and age‐standardized mortality rates (ASMRs).ResultsCancer death accounted for 24% of all‐cause of death in China during 2014‐2018. The CMR of all cancer was 150.0 per 100,000 persons. Cancer was the leading cause of death in the population <65 years. The six major cancer types (lung/bronchus cancer, liver cancer, stomach cancer, esophagus cancer, colorectal cancer, and pancreas cancer) accounted for 75.85% of all cancer deaths. The CMR of all cancer increased while the ASMR decreased during 2014‐2018 (P < 0.001). Lung/bronchus cancer and liver cancer were the leading causes of cancer death in the population <65 years, accounting for 45.31% (CMR) and 44.35% (ASMR) of all cancer death, respectively. The ASMR of liver cancer was higher in the 40‐64 years population than in the ≥65 years population, in contrast to the other five major cancers. The ASMRs of liver cancer, stomach cancer, and esophagus cancer decreased although they were higher in rural residents than in urban residents; the ASMRs of lung/bronchus cancer, colorectal cancer, and pancreas cancer increased in rural residents although they were higher in urban residents than in rural residents during 2014‐2018.ConclusionAlthough the ASMR of all cancer decreased in China during 2004‐2018, lung/bronchus cancer and liver cancer remained the leading causes of cancer‐related premature death. Lung/bronchus cancer, colorectal cancer, and pancreas cancer increased in rural residents.
Diagnostic and prognostic value of stem cell factor plasma level in glioblastoma multiforme patients
Authors: Kefayat Amirhosein , Amouheidari Alireza , Ghahremani Fatemeh , Alirezaei Zahra 
Published: July 2021

AbstractBackgroundInvestigation of novel blood‐circulating agents as potential biomarkers for glioblastoma multiforme (GBM) patients’ diagnosis and monitoring has gained lots of attention, due to limitations of imaging modalities and invasive tissue biopsy procedures. The present study aims to assess the diagnostic and prognostic values of preoperative stem cell factor (SCF) plasma level in GBM patients.MethodsPreoperative plasma samples from 58 GBM patients and 20 patients with nonglial tumors and 30 healthy controls were obtained. SCF levels were measured by employing the enzyme‐linked immunosorbent assay test and the values were compared between these three groups. Then, the association of SCF plasma level and tumor volume, progression‐free survival (PFS), and overall survival (OS) for the GBM patients were evaluated.ResultsMean preoperative SCF plasma level of the GBM patients (2.80 ± 1.52 ng/ml) was significantly higher (p < 0.0001) than the healthy controls (0.80 ± 0.24 ng/ml) and patients with nonglial tumor (1.41 ± 0.76 ng/ml). Receiver operating characteristic analysis revealed that the preoperative SCF plasma level could distinguish the GBM patients from healthy controls and patients with nonglial tumors with the area under curve values of 0.915 and 0.790, respectively. However, no significant association was observed between the GBM patients’ preoperative SCF plasma levels and tumors’ volume (Spearman Rho correlation coefficient, 0.1847; 95% CI, p = 0.1652). The GBM patients were divided into two subgroups based on mean preoperative SCF plasma levels (2.80 ng/ml). No significant difference was observed between the patients’ PFS (p = 0.3792) and OS (p = 0.1469) at these two subgroups.ConclusionTaking together, the SCF plasma level can serve as a novel diagnostic blood‐circulating biomarker for patients with GBM. However, its plasma level is not correlated with GBM patients’ tumor volume, PFS, or OS.
The ethical–political dimension of social and community praxis: The case of Ecuador's early response to COVID‐19
Authors: Capella Manuel 
Published: July 2021

AbstractAround the globe, millions of people have experienced suffering and death related to COVID‐19, an infectious disease caused by the SARS‐CoV2 virus. In Ecuador,the painful impact of the pandemic elicited early responses by the government and by local communities. This critical, positioned and exploratory case study analyses such responses, underscoring the fundamental ethical–political dimension of any academic and professional praxis aimed at the construction of healthier societies worldwide. While critical traditions are familiar with this stance, the inequalities and ideological mechanisms made visible by COVID‐19 responses may enable the wider community of researchers and practitioners to join ongoing collective ethical–political efforts. Findings from Ecuador underline the potentially harmful role of neoliberalism and issues of democratic legitimacy, significant problems before and during the pandemic shock, and official discourses, which blame communities for their own suffering and death. Neutrality and depoliticized notions of scientific evidence are notoriously insufficient in these scenarios. We need to engage more deeply with diverse forms of global and local community resistance, in times of COVID‐19, and beyond. Please refer to the Supplementary Material section to find this article'sCommunity and Social Impact Statement.
Insight into the Therapeutic Potential of a Bicyclic Hydroxypyridone Compound 2‐[(2,4‐Dichlorophenyl)methyl]‐7‐hydroxy‐1,2,3,4‐tetrahydro‐8H‐pyrido[1,2‐a]pyrazin‐8‐one as COMT Inhibitor in the Treatment of Parkinson's Disease: A Molecular Dynamic Simulation Approach
Authors: Subair Temitayo I. , Akawa Oluwole B. , Soremekun Opeyemi S. , Olotu Fisayo A. , Soliman Mahmoud E. S. 
Published: July 2021

AbstractParkinson's disease (PD) is one of the most targeted neurodegenerative diseases in clinical research. Awareness of research is due to its increasing number of affected people worldwide. The pathology of PD has been linked to several key proteins upregulation such as the catechol O‐Methyltransferase (COMT). Hence, the synthesis of compounds possessing inhibitory capacity has been the frontline of research in recent years. Several compounds have been synthesized among which is the nitrocatechol. However, major limitations associated with the nitrocatechol scaffold include the inability to possess adequate CNS penetration properties and hepatic toxicity associated with the compounds. However, a series of bicyclic hydroxypyridones compounds were synthesized to evaluate their inhibitory potentials on COMT protein with compound 38 (c38) 2‐[(2,4‐dichlorophenyl)methyl]‐7‐hydroxy‐1,2,3,4‐tetrahydro‐8H‐pyrido[1,2‐a]pyrazin‐8‐one shown to have a 40 fold increase level coverage in its IC50 over brain exposure when compared to the other synthesized compound. The molecular dynamics method was employed to understand the nature of interaction exhibited by c38. Molecular mechanics of c38 revealed a disruptive effect on the secondary structure of COMT protein. Per residue decomposition analysis revealed similar crucial residues involved in the favorable binding of c38 and tolcapone implicated its increased inhibitory capacity on COMT in preventing PD. Free binding energy (ΔGbind) of c38 further revealed the inhibitory capacity towards COMT protein in comparison to the FDA approved tolcapone. Ligand mobility analysis of both compounds showed a timewise different mobility pattern across the simulation time frame at the active site pocket of the protein connoting the different inhibitory potency exhibited by c38 and tolcapone. Findings from this study revealed optimization of c38 could facilitate the discovery of new compounds with enhanced inhibitory properties towards COMT in treating PD.
Phenolic extract from nejayote flour: Bioactive properties and its potential use as an antimicrobial agent of alginate‐based edible coatings
Authors: Castañeda‐Ruelas Gloria M. , Ibarra‐Medina R. Karely , Niño‐Medina Guillermo , Mora‐Rochín Saraid , Montes‐Ávila Julio , Cuevas‐Rodríguez Edith O. , Jiménez‐Edeza Maribel 
Published: July 2021

AbstractBackground and objectivesThe search for safe and effective natural sources of antioxidants and antimicrobials is a current trend. The corn nixtamalization industry involves the production of nejayote, a waste that offers a substrate for making value‐added products. This study evaluated the phytochemical content and certain bioactive properties of a hydroalcoholic extract from nejayote flour and its potential use as an antimicrobial agent of edible coating.FindingsProximal composition of nejayote flour was 10.34% protein, 6.47% fat, and 76.72% carbohydrates. The total phenolic content of the hydroalcoholic extract was 68.62 mgGAE/100 g; ferulic acid, coumarins, tannins, triterpenes, and flavonoids were identified as major compounds. Antioxidant activity of the extract varied between the methods (p < .05): ORAC (1865.13 µmol TE/100 g) > ABTS•+ (1,670.02 µmol TE/100 g). Nejayote phenolic extract showed a moderate–high antimicrobial power depending on the bacteria (p < .05). The adding of nejayote phenolic extract (2.6%) in alginate coating improves physiochemical properties and exhibits a selective antimicrobial effect.ConclusionsThis research provides bases for the nutrimental and phytochemical content of nejayote flour and its bioactive properties.Significance and noveltyThe confinement and extraction of phytochemical compounds with biological activity from nejayote promote the technological innovation use and reduction of the environmental impact generated by this by‐product.
Affective association with and preference for flexible brace colors in older adults with spinal deformities
Authors: Chung Wing Yan Claire , Yip Joanne , Yick Kit Lun , Ng Sun Pui 
Published: July 2021

AbstractPatients with adult spinal deformities, often suffer from the physical shortcomings of rigid braces and psychological hurdles of traditional rigid bracing treatment. The color of flexible braces is a physical element that influences user perception and treatment acceptance. This study aims to investigate the affective valence and preferences of patients with adult spinal deformities toward contextless colors and flexible brace colors, respectively, then understand their color requirements of flexible braces in terms of the color attributes (lightness and chroma). A total of 32 Chinese participants with adult spinal deformities (25 females and 7 males aged 61.9 ± 4.16) participated in the study. Participants are required to score 36 contextless and brace colors using the affective appraisal scale and the colors are measured using spectrophotometer. The experimental results showed that context is an important factor in influencing the affective perception but not the color preferences of participants. Adult spinal deformities patients have a more positive affective connotations toward the brace color with lighter achromatic shades. This study provides new insights for the choosing of colors during the design process of medical orthoses.