bluuebunny/crossref_metadata_2025 huggingface dataset:
A Water‐Soluble Antimony‐Rich Polyoxometalate with Broad‐Spectrum Antitumor Activities
Authors: Xiao Hui‐Ping , Hao Ya‐Shuai , Li Xin‐Xiong , Xu Peng , Huang Ming‐Dong , Zheng Shou‐Tian
Published: August 2022

Herein, a giant Sb‐rich polyoxometalate (POM) {Sb21Tb7W56} is reported, which contains the largest number of Sb atoms in a POM so far. The Sb‐rich POM has many interesting structural features and is a rare example of a soluble and water‐stable giant POM. Biomedical studies indicate that the Sb‐rich POM exhibits broad‐spectrum antitumor activity against various cancer cell lines by reactivating the P53‐dependent apoptotic processes and disrupting the mitochondrial membrane. In addition, this Sb‐rich POM was capable of suppressing the growth and metastasis of a breast cancer in vivo. This work demonstrates that Sb‐rich POMs are promising candidates for the development of new anticancer drugs.
Site‐Selective Hydrogenation of Electron‐Poor Alkenes and Dienes Enabled by a Rhodium‐Catalyzed Hydride Addition/Protonolysis Mechanism**
Authors: Kong Duanyang , Qiqige Qiqige , McNutt Wesley , Paciello Rocco , Schäfer Ansgar , Schelwies Mathias , Lundgren Rylan J.
Published: August 2022

The transition metal catalyzed hydrogenation of alkenes is a well‐developed technology used on lab scale as well as on large scales in the chemical industry. Site‐ and chemoselective mono‐hydrogenations of polarized conjugated dienes remain challenging. Instead, stoichiometric main‐group hydrides are used rather than H2. As part of an effort to develop a scalable route to prepare geranylacetone, we discovered that Rh(CO)2acac/xantphos based catalysts enable the selective mono‐hydrogenation of electron‐poor 1,3‐dienes, enones, and other polyunsaturated substrates. D‐labeling and DFT studies support a mechanism where a nucleophilic RhI‐hydride selectively adds to electron‐poor alkenes and the resulting Rh‐enolate undergoes subsequent inner‐sphere protonation by alcohol solvent. The finding that (Ln)Rh(H)(CO) type catalysts can enable selective mono‐hydrogenation of electron‐poor 1,3‐dienes provides a valuable tool in the design of related chemoselective hydrogenation processes.
Management of Donor and Acceptor Building Blocks in Dopant‐Free Polymer Hole Transport Materials for High‐Performance Perovskite Solar Cells
Authors: Fu Qiang , Liu Hang , Li Shitong , Zhou Tong , Chen Mingqian , Yang Yang , Wang Jian , Wang Rui , Chen Yongsheng , Liu Yongsheng
Published: August 2022

The dominant hole transport material (HTM) in state‐of‐the‐art perovskite solar cells (PSCs) is Spiro‐OMeTAD, which needs to be doped using hydrophilic dopants to improve its hole mobility and conductivity, resulting in inferior device stability. Here, we propose an effective molecular design strategy to construct dopant‐free polymer HTMs by selecting four structurally related polymers and investigating their structure–property relationship. It is found that the donor and acceptor units with longitudinal conjugate extension, such as BDT‐T and BDD, could not only enhance the planarity of the conjugated polymer backbone and tune the energy levels but also promote the face‐on orientation, resulting in superior charge extraction and transport. The optimized device utilizing dopant‐free polymer HTM shows a high open‐circuit voltage of 1.19 V and a champion efficiency of 24.04 % with greatly improved operational stability, making it among the best performance PSCs based on dopant‐free HTMs.
Silica supported spinel structured cobalt ferrite multifunctional nanocatalyst for hydration of nitriles and oxidative decarboxylation of phenylacetic acids
Authors: Hazarika Shikharani , Borah Geetika
Published: August 2022

The silica‐supported cobalt ferrite spinel nanocatalyst has been successfully synthesized by the coprecipitation method and extensively characterized by FTIR, XRD, SEM‐EDX, TEM, BET, VSM, XPS, TGA, and ICP‐AES analysis. The bands observed at 3435 cm−1(νOHof Si‐OH) and 1637 cm−1(γOHof Si‐OH) in the FTIR spectrum of the as‐synthesized nanocatalyst unambiguously tell the presence of silica support. Moreover, a very weak intensity and a medium intensity peak at 683 cm−1and 463 cm−1suggested intrinsic stretching vibrations of Fe‐O and Co‐O of cobalt ferrite, respectively. The XRD pattern confirms the formation of CoFe2O4spinel. The average crystallite size was found to be 5.4 nm as calculated by using the Debye–Scherrer equation based on the (220) plane while the average particle size was found to be 5.08 nm from TEM analysis. The crystalline nature of the nanocomposite was confirmed by the SAED pattern. The successful incorporation of CoFe2O4on the surface of silica was established by the BET surface area measurements. The silica‐supported cobalt ferrite nanocatalyst has been explored as a heterogeneous multifunctional catalyst for hydration of nitriles and oxidative decarboxylation of phenylacetic acids as well under mild reaction conditions with moderate to excellent isolated yield of the desired products (60–99%). The catalyst was magnetically recoverable within a time frame of ~90 s and reusable up to the fifth catalytic cycle without profound loss of activity. A magnetic hysteresis study was performed to elucidate the magnetic behavior of the catalyst. The saturation magnetization value of 39.785 emu/g with a coercivity value of 110.87 Oe and saturation remanence value of 5.185 emu/g clearly indicated the presence of a ferromagnetic component in the material.
Research on the measurement method of fuel feeding temperature during circulating fluidized bed boiler's start‐up
Authors: Liu Zhihong , Deng Boyu , Zhou Tuo , Huang Zhong , Sun Guorui , Yang Hairui , Zhang Man , Jin Yan
Published: August 2022

Circulating fluidized bed (CFB) boiler is a high‐efficiency and clean combustion technology that has been developed rapidly in recent years. During the start process, only after the furnace temperature is heated up with fuel oil higher than the fuel feeding temperature, fuel can be fed into it, otherwise, it will easily lead to deflagration accidents in the furnace. While adding fuel too late will increase the unnecessary cost of fuel oil. There are three main methods for measuring fuel feeding temperature in the CFB boiler. The thermogravimetric analysis‐derivative thermogravimetry (TG‐DTG method has the problem of a large gap between the measurement results and the actual boiler fuel feeding temperature. Although the measurement results in the CFB test rig are more accurate, its procedure is more complex and costly. The method of on‐site debugging and measurement has disadvantages such as high measurement cost and poor measurement repeatability. For this reason, this paper designs a simple method to measure fuel feeding temperature in CFB boiler, which has standard operability and lower test cost. The measurement results of variable fuel types were compared with the measurement results of the above three methods, which prove that the results of all samples are close to those in the actual CFB boiler with error within 40°C. It is confirmed that this method can accurately measure the CFB boiler fuel feeding temperature, which is of great significance to the operation of the CFB boiler.
Multifunctional biocompatible films based on pectin‐Ag nanocomposites and PVA: Design, characterization and antimicrobial potential
Authors: Kraskouski Aliaksandr , Hileuskaya Kseniya , Ladutska Alena , Kabanava Volha , Liubimau Aliaksandr , Novik Galina , Nhi Tran Thi Y. , Agabekov Vladimir
Published: August 2022

Pectin‐Ag nanocomposites with a core‐shell structure are synthesized by the “green chemistry” method based on the reduction of silver nitrate with pectin (amidated, low‐, or high methoxylated) in an alkaline medium at room temperature. TEM and DLS measurements show that the average size of the inorganic core (10–30 nm) and hydrodynamic diameter of the nanocomposite (284.8–649.2 nm) depend on the type of pectin. The films based on pectin‐Ag nanocomposites and polyvinyl alcohol (PVA) with different molecular weight (30, 66, and 145 kDa) are obtained by casting evaporation technique. A comparative study of their mechanical, optical, degradation and antibacterial properties is carried out. The films with the smaller size of Ag nanocomposite exhibit higher antimicrobial activity against Bacillus strains. The pectin‐Ag/PVA films are loaded with antibiotic kanamycin (KAN). Prolonged release of antibiotic and pronounced (up to full inhibition) antimicrobial effect of pectin‐Ag/PVA/KAN films against Escherichia coli, Pseudomonas aeruginosa, Bacillus pumilus, and Bacillus subtilis is due to the formation of pectin‐Ag/KAN complexes. Moreover, pectin‐Ag/PVA/KAN films show high potency against resistant strains Pseudomonas aeruginosa. The obtained multifunctional films are expected to find promising applications in biomedical engineering and wound healing.
Preparation of BTCA‐esterified cellulose nanocrystals and effects on mechanical and thermal properties of polypropylene composites
Authors: Yu Shuxian , Zhao Changjun , Wei Jie , Jia Shuai , Chen Pan , Shao Ziqiang , Lyu Shaoyi
Published: August 2022

In this study, cross‐linked cellulose nanocrystals (CNC) were esterified using 1,2,3,4‐tricarboxylic acid (BTCA) to decrease the hydroxyl content of the nanocellulose, control its hydrophilic/hydrophobic degree, and improve its compatibility with the polypropylene (PP) matrix. The mechanical and physical properties of nanocellulose‐reinforced polypropylene composites were investigated after they were manufactured via melt extrusion using a twin‐screw extruder. FTIR and XPS analysis revealed that the nanocellulose chain was successfully esterified utilizing BTCA. The results from SEM and Mapping demonstrated that the nanocellulose was spread equally throughout the matrix. By characterizing the 5 wt% CNC/PP composite material with DMA and tensile testing devices, the elongation at break decreases, the rigidity increases, and the tensile strength increases to 50.5 MPa, a 25.5% increase over pure polypropylene. Simultaneously, DSC data demonstrated that nanocellulose provided a heterogeneous nucleation site, expedited polypropylene crystallization, and was advantageous for polypropylene processing. According to the results of TG/DTG, esterified CNC/PP composites containing 5% CNC had the highest thermal resistance, with Tonset and Tmax increasing by up to 66 and 11.6°C, respectively, when compared to pure PP. Following a thorough investigation and evaluation of the samples' mechanical and thermal properties, it was determined that BTCA esterification cross‐linking is an effective method for surface modification of nanocellulose, as it increases the compatibility of nanocellulose with polypropylene, improves the mechanical properties of polypropylene, and thus expands its application range.
Design, synthesis, and biological evaluation of new celecoxib analogs as apoptosis inducers and cyclooxygenase‐2 inhibitors
Authors: Abdelhaleem Eman F. , Kassab Asmaa E. , El‐Nassan Hala B. , Khalil Omneya M.
Published: August 2022

Series of new celecoxib analogs were synthesized to assess their anticancer activity against the MCF‐7 cell line. Four compounds, 3a, 3c, 5b, and 5c, showed 1.4–9.2‐fold more potent anticancer activity than celecoxib. The antiproliferative activity of the most potent compounds, 3c, 5b, and 5c, seems to be associated well with their ability to induce apoptosis in MCF‐7 cells (18–24‐fold). This evidence was supported by an increase in the expression of the tumor suppressor gene p53 (4–6‐fold), the elevation in the Bax/BCL‐2 ratio, and a significant increase in the level of active caspase‐7 (4–7‐fold). Moreover, compounds 3c and 5c showed significant cyclooxygenase‐2 (COX‐2) inhibitory activity. They were also docked into the crystal structure of the COX‐2 enzyme (PDB ID: 3LN1) to understand their mode of binding.
Association of Decrease in Body Mass Index With Reduced Incidence and Progression of the Structural Defects of Knee Osteoarthritis: A Prospective Multi‐Cohort Study
Authors: Salis Zubeyir , Gallego Blanca , Nguyen Tuan V. , Sainsbury Amanda
Published: August 2022

Objective

To define the association between change in body mass index (BMI) and the incidence and progression of the structural defects of knee osteoarthritis as assessed by radiography.

Methods

Radiographic analyses of knees at baseline and at 4–5 years of follow‐up were obtained from the following 3 independent cohort studies: the Osteoarthritis Initiative (OAI) study, the Multicenter Osteoarthritis Study (MOST), and the Cohort Hip and Cohort Knee (CHECK) study. Logistic regression analyses using generalized estimating equations, with clustering of both knees within individuals, were used to investigate the association between change in BMI from baseline to 4–5 years of follow‐up and the incidence and progression of knee osteoarthritis.

Results

A total of 9,683 knees (from 5,774 participants) in an “incidence cohort” and 6,075 knees (from 3,988 participants) in a “progression cohort” were investigated. Change in BMI was positively associated with both the incidence and progression of the structural defects of knee osteoarthritis. The adjusted odds ratio (OR) for osteoarthritis incidence was 1.05 (95% confidence interval [95% CI] 1.02–1.09), and the adjusted OR for osteoarthritis progression was 1.05 (95% CI 1.01–1.09). Change in BMI was also positively associated with degeneration (i.e., narrowing) of the joint space and with degeneration of the femoral and tibial surfaces (as indicated by osteophytes) on the medial but not on the lateral side of the knee.

Conclusion

A decrease in BMI was independently associated with lower odds of incidence and progression of the structural defects of knee osteoarthritis and could be a component in preventing the onset or worsening of knee osteoarthritis.
Wavelet CMAC for MIMO uncertain nonlinear systems using a modified social ski‐driver algorithm
Authors: Lin Chih‐Min , Le Chau‐Tan‐Phat , Huynh Tuan‐Tu , Chao Fei
Published: August 2022

This study uses a Mexican hat wavelet membership function for a cerebellar model articulation controller (CMAC) to develop a more efficient adaptive controller for multiple input multiple output (MIMO) uncertain nonlinear systems. The main controller is called the adaptive Mexican hat wavelet CMAC (MWCMAC), and an auxiliary controller is used to remove the residual error. For the MWCMAC, the online learning laws are derived from the gradient descent method. In addition, the learning rate values are very important and have a great impact on the performance of the control system; however, they are difficult to choose accurately. Therefore, a modified social ski driver (SSD) algorithm is proposed to find optimal learning rates for the control parameters. Finally, a magnetic ball levitation system and a nine‐link biped robot are used to illustrate the effectiveness of the proposed SSD‐based MWCMAC control system. The comparisons with other existing control algorithms have shown the superiority of the proposed control system.
Characterization of the metabolism of aloin A/B and aloesin in rats using ultra‐high performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry
Authors: Kong Xin‐Yu , Chen Tong‐Tong , Zhang Hong‐Wu , Jia Hong‐Mei , Yu Meng , Zou Zhong‐Mei
Published: August 2022

Aloin A/B and aloesin are the major bioactive constituents in Aloe vera, with diverse pharmacological activities, including anti‐bacterial, anti‐tumour, anti‐inflammatory and intestinal regulation. However, the in vivo metabolism of aloin A/B and aloesin is still unclear. In this study, the metabolic processes of aloin A/B and aloesin in rats were investigated using ultra‐high performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry (UPLC‐Q‐TOF/MS) and MetaboLynx™ software with the mass defect filter technique. Based on the proposed method, the prototype components of three compounds were all detected in rat plasma, urine and feces. Meanwhile, 25 aloin A/B metabolites (six phase I, three phase II, 16 phase I combined with phase II) and three aloesin metabolites (two phase I and one phase II) were detected in rats after oral administration of aloin A, aloin B and aloesin, and the main biotransformation reactions were hydroxylation, oxidation, methylation, acetylation and glucuronidation. In addition, aloin A and aloin B can be transformed into each other in vivo and the metabolic profiles of aloin A and aloin B are identical. These results provide essential data for further pharmaceutical research and clinical application of aloin A/B and aloesin.
Validation and psychometric properties of the Farsi version of the fear of COVID‐19 scale among pregnant women
Authors: Jafari Mojtaba , Ameri Ahmad Houra , Nassehi Asra , Repisti Selman , Sharif Nia Hamid , Ghanei Gheshlagh Reza
Published: August 2022

Objective

The Covid‐19 epidemic, which has become the most challenging issue for health organizations and governments, has led to panic among people, especially pregnant women. The aim of this study was to investigate the psychometric properties of the Persian version of the Fear of COVID‐19 Scale (FCV‐19S) on a sample of Iranian pregnant women.

Methods

This cross‐sectional study was performed on 500 pregnant women referred to gynecology offices in Tehran. Construct validity was performed using exploratory (with maximum likelihood method and Promax rotation) and confirmatory factor analysis. Cronbach's alpha and McDonald omega coefficients were used to examine internal consistency.

Results

The mean age of the women was 28.98 (SD = 5.86) years. In exploratory factor analysis, two factors were extracted—emotional response and physiological response, which together explained 65.21% of the total variance of fear of Covid‐19. In the confirmatory factor analysis, the final model had a good fit: CMIN/df = 1.515, goodness of fit index (GFI) = 0.981, adjusted goodness of fit index (AGFI) = 0.956, normed fit index (NFI) = 0.979, Incremental Fit Index (IFI) = 0.993, comparative fit index (CFI) = 0.993, and root mean square error of approximation (RMSEA) = 0.045 (95% CI: 0.001–0.085). Cronbach alpha and McDonald omega coefficients for the first factor were 0.874 and 0.878, and for the second factor were 0.853 and 0.854, respectively.

Conclusion

The FCV‐19S in pregnant women has a good construct validity and can be used in various studies.
Carbon neutrality drivers and implications for firm performance and supply chain management
Authors: Zhang Abraham , Tay Huay Ling , Alvi Muhammad Faizan , Wang Jason X. , Gong Yu
Published: August 2022

Many nations have committed to achieving carbon neutrality to combat climate change, but little is known about its drivers at the micro level and implications for firm performance and supply chain management. To address the knowledge gap, this research conducts case studies of seven early movers in the initiative by exploring the key drivers, influential stakeholders and effects of institutional pressures. We find four major drivers: ‘customer enforcement’, ‘sustainable business value’, ‘environmental legitimacy’ and ‘competitive pressures’. Customers and competitors were the most influential external stakeholders. Shareholders and top management with intrinsic environmental values, being internal stakeholders, played pivotal roles in a proactive move to carbon neutrality when there was limited regulatory pressure. The early movers believed in the long‐term economic benefits of transitioning to carbon neutrality. We also identify the implications of carbon neutrality initiatives for supply chain management. Based on the research findings, we develop a decision support framework to guide firms in transitioning towards carbon neutrality in a multi‐tier supply chain context.
Investigating how online fashion product page design affects the consumer's clothing fit appraisal
Authors: Chrimes Courtney , Boardman Rosy , Vignali Gianpaolo , McCormick Helen
Published: August 2022

Clothing fit is the most important consideration during the consumer's garment appraisal process but is the primary reason for the extensive number of online returns generated in the fashion industry. This suggests that when shopping online, consumers are not provided with sufficient information about the fit of a garment. This issue is even more imperative now as COVID‐19 has accentuated the shift to shopping for clothing online. Thus, how fashion retailers communicate clothing online is a critical challenge requiring immediate attention. Underpinned by the Stimulus–Organism–Response (S‐O‐R) framework, this research undertakes a between‐subjects factorial web‐experiment to investigate how different types of fit information affect the consumers' online garment evaluations and purchasing decisions. The results from 400 UK female responses show that whilst the presence of diverse body shapes (vs. one body shape) enhances the consumers' garment fit evaluations, it does not increase purchase intentions. Alternatively, verbal fit information in the form of clothing fit reviews (vs. absence) increased product fit diagnosticity but had no significant effect on concerns with fit online or purchase intentions. The results provide novel insights into how fashion retailers can enhance the communication of clothing fit on their product pages.
Characterization and Antimicrobial Activity of Spice Extract‐Loaded Algal Microcomposites Based on the Microemulsion Technique
Authors: Yildirim Seval Cing , Dincer Aslihan Seyma , Kivilcim Fadime Nulufer
Published: August 2022

In recent years, with the increase in knowledge and awareness, people's efforts to return to nature have increased in the field of medical science and cosmetics industry. Spices, sumac and coriander, grown and frequently used in Turkey, have different bioactive effects. Microalgae are preferred in the treatment of skin problems. The aim of this study was to synthesize algae microcomposites that were effective against bacterial infections, prepared based on microemulsion technique and loaded with spice extract. Microemulsion formulations were prepared by the titration method. Aqueous and ethanolic extractions of sumac/coriander were carried out using the ultrasonic‐assisted extraction method. Twenty‐four different algal microcomposites loaded with extracts were synthesized. The disk diffusion method was used to determine the antimicrobial activity. The DPPH free radical scavenging activities, the total phenolic content (TPSC), and the characteristics (FT‐IR) of the microcomposites were investigated. In addition, the chemical contents of extracts were determined by the GC/MS method. Aqueous extracts of both sumac and coriander were highly effective against Escherichia coli (ES DII). The highest antimicrobial activity against Staphylococcus aureus (F6 III) was obtained with M9 (microcomposite containing ethanolic extract of sumac) and M15 (microcomposite containing aqueous extract of coriander). The highest TPSC value (6.025 mg GAE/gr) was detected in the aqueous extract of coriander. The DPPH radical scavenging activities of coriander extracts were lower than those of sumac extracts. It has been determined that the spices contain organic (propanoic, butanoic, malic and benzoic) acids and fatty (palmitic, oleic and myristic) acids. According to the results of FT‐IR spectroscopy, microcomposites prepared with sumac and coriander extracts were successfully synthesized. The synthesized algae‐based microcomposites have properties that could be in the green‐labeled bio‐based category.
Synthesis of Hinokitiol Sulfonate Derivatives and Their Anti‐Oomycete and Nematicidal Activities
Authors: Che Zhiping , Liu Yibo , Chen Luyao , Xing Puhou , Li Xiangdong , Huang Xiaobo , Liu Shengming , Chen Genqiang , Lin Xiaomin , Tian Yuee
Published: August 2022

In order to explore novel natural product‐based anti‐oomycete and nematicidal agents, sixteen unreported 2‐sulfonyloxyhinokitiol derivatives were prepared using the principle of active splicing, and structurally confirmed by proton nuclear magnetic resonance (1H‐NMR), carbon‐13 nuclear magnetic resonance (13C‐NMR), high‐resolution mass spectrometry (HRMS), and melting point. Moreover, we evaluated the title compounds as anti‐oomycete and nematicidal agents against two serious agricultural pests of Phytophthora capsici and Meloidogyne incongnita. Among the sixteen hinokitiol esters tested: (1) Compounds 3a and 3m exhibited the most potent anti‐oomycete activity compared to zoxamide against P. capsici, and the median effective concentration (EC50) values of 3a, 3m, and zoxamide were 18.64, 21.11, and 23.15 mg/L, respectively; Further studies showed that the existence of seven membered ring and carbonyl group was the necessary condition for the high anti‐oomycete activity of hinokitiol. (2) Compounds 3n and 3p exhibited more promising nematicidal activity than hinokitiol, and the median lethal concentration (LC50) values of 3n, 3p and 1 against M. incongnita were 0.2111, 0.2079, and 0.3933 mg/L, respectively. This result will pave the way for further modification of hinokitiol to develop potential new fungicides and nematicides.
Mechanism‐Based Design of the First GlnA4‐Specific Inhibitors
Authors: Purder Patrick L. , Meyners Christian , Krysenko Sergii , Funk Jonathan , Wohlleben Wolfgang , Hausch Felix
Published: August 2022

γ‐Glutamylamine synthetases are an important class of enzymes that play a key role in glutamate‐based metabolism. Methionine sulfoximine (MSO) is a well‐established inhibitor for the archetypal glutamine synthetase (GS) but inhibitors for most GS‐like enzymes are unknown. Assuming a conserved catalytic mechanism for GS and GS‐like enzymes, we explored if subtype‐selective inhibitors can be obtained by merging MSO with the cognate substrates of the respective GS‐like enzymes. Using GlnA4Sc from Streptomyces coelicolor, an enzyme recently shown to produce γ‐glutamylethanolamine, we demonstrate that MSO can be reengineered in a straightforward fashion into potent and selective GlnA4Sc inhibitors. Linkage chemistry as well as linker length between the MSO moiety and the terminal hydroxyl group derived from ethanolamine were in agreement with the postulated phosphorylated catalytic intermediate. The best GlnA4 inhibitor 7 b potently blocked S. coelicolor growth in the presence of ethanolamine as the sole nitrogen source. Our results provide the first GlnA4Sc‐specific inhibitors and suggest a general strategy to develop mechanism‐based inhibitors for GS‐like enzymes.
Appraisal of Ni Species Supported on Porous MgO during Ethanol Steam Reforming by XAS
Authors: Possato Luiz G. , Pulcinelli Sandra H. , Martins Leandro , Briois Valerie , Santilli Celso V.
Published: August 2022

Operando time‐resolved X‐ray absorption spectroscopy (XAS) was used to determine nickel species supported on porous MgO during the ethanol steam reforming reaction. The Principal Component Analysis (PCA) of the nickel K‐edge XAS spectra revealed Ni(OH)2, NiMgO, and metallic Ni during the activation and reaction of the catalysts. The Multivariate Curve Resolution‐Alternating Least Squares (MCR‐ALS) method for the time‐resolved XAS spectra data permitted to calculate the concentration of species during the activation and reaction steps and to determine the formation of NiMgO and nickel reduction degree. The samples prepared with surfactants, Ni10MgO‐F127 and Ni10MgO‐P123, showed less nickel reduction (less than 30 %) but were more active and stable than the reference Ni10MgO catalyst, which reduced 52 %. It happened due to the smaller particle size and a larger specific area of the porous supports. The samples synthesized without Pluronic deactivated, and ethanol dehydrogenation became predominant instead of the ethanol steam reforming.
Carbon Utilization Combined with Carbon Direct Avoidance for Climate Neutrality in Steel Manufacturing
Authors: Kolbe Nina , Cesário Fabrício , Ahrenhold Frank , Suer Julian , Oles Markus
Published: August 2022

The European steel industry faces the challenge of transformation to climate neutral steel making over the next decades. A combination of hydrogen‐based direct reduction of iron ore with melter and chemical usage of steel mill gases is discussed. This transformation path allows to reach the climate goals economically with minimized effects on production network and steel quality, additionally providing sustainable feedstocks for the chemical industry.
An Electrocatalytic Strategy for Dehydrogenative [4 + 2] Cycloaddition over a Cobalt‐Based Catalyst
Authors: Xue Xiaomeng , Wang Ye , Zhou Lina , Ge Ruixiang , Yang Jiangrong , Kong Xianggui , Xu Ming , Li Zhenhua , Ma Lina , Duan Haohong
Published: August 2022

Comprehensive Summary

Exploring the anodic reaction to substitute conventional oxygen evolution reaction (OER) for the synthesis of complex pharmaceutical molecules is highly attractive. Here, we report an electrocatalytic strategy for dehydrogenative [4 + 2] cycloaddition of N,N‐dialkylanilines with maleimides via dual functionalization of both C(sp3)‐H and C(sp2)‐H bonds, by using an electrochemically activated cobalt carbonate hydroxide hydrate supported on carbon cloth (CCHH‐A/CC), affording various tetrahydroquinolines with high yields. This electrochemical transformation proceeds with high activity and stability, as well as good substrate compatibility. Mechanism study shows that α‐aminoalkyl radical exists in the electrooxidation reaction. This strategy shows significant potential for the synthesis of valuable chemicals by using an electrocatalytic strategy.
Dietary fibre in relation to asthma, allergic rhinitis and sensitization from childhood up to adulthood
Authors: Sdona Emmanouela , Ekström Sandra , Andersson Niklas , Håkansson Niclas , Wolk Alicja , Westman Marit , van Hage Marianne , Kull Inger , Melén Erik , Bergström Anna
Published: August 2022

Background

Dietary fibre may reduce the risk of allergy. Our aim was to investigate the association between fibre intake in childhood, asthma, allergic rhinitis and IgE sensitization up to adulthood.

Methods

The individual fibre intake of 2285 participants from the Swedish population‐based birth cohort BAMSE was estimated between 98‐ and 107‐item food frequency questionnaires at ages 8 and 16 years, respectively. At 8, 16 and 24 years, asthma and allergic rhinitis symptoms were assessed by questionnaires, and sensitization to common allergens by serum IgE. Longitudinal associations were analysed by generalized estimating equations, adjusting for potential confounders.

Results

An inverse overall association was indicated between fibre intake at 8 years and allergic rhinitis symptoms up to 24 years (OR per 5 g/d 0.86; 95% CI 0.77–0.96), particularly in combination with airborne (0.74; 0.62–0.89) and food (0.69; 0.54–0.88) allergen sensitization. Higher fibre intake was also associated with specific allergen sensitization, for example, birch (0.77; 0.67–0.88) and soy (0.68; 0.53–0.87). No association was observed with asthma. Regarding sources, fruit (0.79; 0.67–0.94) and other (potatoes, chips/popcorn, legumes, and nuts, 0.71; 0.50–0.99), but not cereal or vegetable fibre were associated with allergic rhinitis. In additional analyses, including long‐term fibre intake at 8 and 16 years, excluding participants with food‐related allergic symptoms to examine reverse causation, as well as adjusting for antioxidant intake, associations were attenuated and became non‐significant.

Conclusion

Higher fibre intake in mid‐childhood may be inversely associated with allergic rhinitis and sensitization to specific allergens up to adulthood. However, avoidance of food triggers of allergic symptoms in allergic rhinitis patients may contribute to the protective associations.
Utility of p16/Ki67 double immunocytochemistry for detection of cervical adenocarcinoma
Authors: Ryu Ayumi , Honma Keiichiro , Shingetsu Azusa , Tanada Satoshi , Yamamoto Takashi , Nagata Shigenori , Kamiura Shoji , Yamasaki Tomoyuki , Ohue Masayuki , Matsuura Nariaki
Published: August 2022

Background

Although the incidence of cervical adenocarcinoma has consistently increased, especially among young women, there is no established best means for screening. This study evaluated the screening efficacy of CINtec PLUS (CINtec; p16/Ki67 double immunocytochemistry) expression in cervical glandular cells.

Methods

Cervical cytology was examined using abnormal glandular cells. The CINtec status of 100 samples with corresponding surgically resected specimens and 11 samples that exhibited negative results for intraepithelial lesion or malignancy at follow‐up was analyzed. Additionally, 31 negative samples containing benign glandular cells were included.

Results

Of the 142 samples, CINtec status was diffusely positive in 74, focally positive in 24, and negative in 44. The 74 diffusely positive samples included 70 adenocarcinomas (62 cervical, seven uterine, and one ovarian) and four cases of high‐grade cervical intraepithelial neoplasia. The 24 focally positive samples included 15 adenocarcinomas (seven cervical, seven uterine, and one fallopian tube) and nine without malignancy. The 44 negative samples included nine adenocarcinomas (five uterine and four cervical) and 35 without malignancy. The sensitivity, specificity, positive predictive value, and negative predictive value of the CINtec diffusely or focally positive cases for cervical adenocarcinomas were 94.5%, 58.0%, 70.4%, and 90.9%, respectively. In CINtec diffusely positive cases, the respective values were 84.9%, 82.6%, 83.8%, and 83.8%, and in women aged ≤39 years the values were 90.6%, 89.5%, 93.5%, and 85.0%, respectively.

Conclusions

CINtec may support efficient detection of cervical adenocarcinomas.
Small sensory spinal lesions that affect hand function in monkeys greatly alter primary afferent and motor neuron connections in the cord
Authors: Fisher Karen M. , Garner Joseph P. , Darian‐Smith Corinna
Published: August 2022

Small sensory spinal injuries induce plasticity across the neuraxis, but little is understood about their effect on segmental connections or motor neuron (MN) function. Here, we begin to address this at two levels. First, we compared afferent input distributions from the skin and muscles of the digits with corresponding MN pools to determine their spatial relationship, in both the normal state and 4–6 months after a unilateral dorsal root/dorsal column lesion (DRL/DCL), affecting digits 1–3. Second, we looked at specific changes to MN inputs and membrane properties that likely impact functional recovery. Monkeys received a targeted unilateral DRL/DCL, and 4–6 months later, cholera toxin subunit B (CT‐B) was injected bilaterally into either the distal pads of digits 1–3, or related intrinsic hand muscles, to label inputs to the cord, and corresponding MNs. In controls (unlesioned side), cutaneous and proprioceptive afferents from digits 1–3 showed different distribution patterns but similar rostrocaudal spread within the dorsal horn from C1 to T2. In contrast, MNs were distributed across just two segments (C7–8). Following the lesion, sensory inputs were significantly diminished across all 10 segments, though this did not alter MN distributions. Afferent and monoamine inputs, as well as KCC2 cotransporters, were also significantly altered on the cell membrane of CT‐B labeled MNs postlesion. In contrast, inhibitory neurotransmission and perineuronal net integrity were not altered at this prechronic timepoint.  Our findings indicate that even a small sensory injury can significantly impact sensory and motor spinal neurons and provide new insight into the complex process of recovery.
Does corporate environmental responsibility contribute to financial performance? A dual path analysis through operational efficiency and the cost of debt
Authors: Gao Lan , Wan Liang
Published: August 2022

Given the growing environmental awareness among stakeholders, firms are increasingly been asked to act in an environmentally responsible manner. However, the relationship between corporate environmental responsibility (CER) and corporate financial performance is quite mixed. This study aims to examine the impact of CER on financial performance and explores the mediating effects of operational efficiency and the cost of debt. A firm‐level panel data of 2173 Chinese listed firms are analyzed. The results show that efforts and investments in CER positively and directly affect financial performance. Operational efficiency and cost of debt mediate the relationship between CER and financial performance. This study contributes to the stakeholder theory and highlights that CER can promote corporate financial performance by improving operational efficiency and reducing the cost of debt. This study also has practical implications and highlights the importance of enhancing operational management and information communication in the course of CER practices.
Palmatine attenuates hepatocyte injury by promoting autophagy via the AMPK/mTOR pathway after alcoholic liver disease
Authors: Lin Guo‐Shuai , Zhao Mao‐Mao , Fu Qi‐Chao , Zhao Shu‐Yi , Ba Tao‐Tao , Yu Hong‐Xia
Published: August 2022

Alcoholic liver disease is one of the diseases with the highest fatality rate worldwide. The cellular process of autophagy which recycles damaged organelles to maintain protein and organelle homeostasis is found to positively influence survival during hepatic insufficiency, although the mechanism is poorly understood. Palmatine (PLT) has a variety of biological functions, such as broad‐spectrum antibacterial action, neuroprotective, antioxidant stress, and antiviral and anti‐inflammatory activities. However, it is not known whether PLT has a protective effect against alcoholic liver injury. Here, we investigated the protective effect of PLT in a cellular model of alcohol‐induced acute liver injury and further explored its mechanism of action. In this study, we show for the first time that PLT attenuates alcohol‐induced hepatocyte injury by promoting autophagy to play an essential protective role. As PLT treatment induced a brief increase in LC3‐II conversion and p62 degradation, it also upregulated the expression of ATG5 and ATG7. The expression levels of the proapoptotic proteins Bax, Caspase 3, and Caspase 9 significantly decreased, while the antiapoptotic protein levels of Bcl‐2 upregulated after treatment with PLT. However, in presence of the autophagy inhibitor, 3‐methyladenine, the effect of PLT in inhibiting ethanol‐induced hepatocyte injury reversed significantly. Mechanistically, the protective effects of PLT may be mediated by promoting the activation of the AMP‐activated protein kinase/mammalian target of rapamycin signaling pathway. Therefore, we believe that the development of alcoholic liver injuries may be controlled by PLT by inhibiting hepatocyte apoptosis through the autophagy pathway. The study lays a solid theoretical and practical basis for future animal models and clinical studies of PLT.
Synthesis and characterization of d5‐barbarin for use in barbarin‐related research
Authors: Kudrimoti Sucheta , Machin Jacob , Arojojoye Adedamola S. , Awuah Samuel G. , Eisenberg Rodney , Fenger Clara , Maylin George , Lehner Andreas F. , Tobin Thomas
Published: August 2022

Based on structural similarities and equine administration experiments, Barbarin, 5‐phenyl‐2‐oxazolidinethione from Brassicaceae plants, is a possible source of equine urinary identifications of aminorex, (R,S)‐5‐phenyl‐4,5‐dihydro‐1,3‐oxazol‐2‐amine, an amphetamine‐related US Drug Enforcement Administration (DEA) controlled substance considered illegal in sport horses. We now report the synthesis and certification of d5‐barbarin to facilitate research on the relationship between plant barbarin and such aminorex identifications. D5‐barbarin synthesis commenced with production of d5‐2‐oxo‐2‐phenylacetaldehyde oxime (d5‐oxime) from d5‐acetophenone via butylnitrite in an ethoxide/ethanol solution. This d5‐oxime was then reduced with lithium aluminum hydride (LiAlH4) to produce the corresponding d5‐2‐amino‐1‐phenylethan‐1‐ol (d5‐phenylethanolamine). Final ring closure of the d5‐phenylethanolamine was performed by the addition of carbon disulfide (CS2) with pyridine. The reaction product was purified by recrystallization and presented as a stable white crystalline powder. Proton NMR spectroscopy revealed a triplet at 5.88 ppm for one proton, a double doublet at 3.71 ppm for one proton, and double doublet at 4.11 ppm for one proton, confirming d5‐barbarin as the product. Further characterization by high resolution mass spectrometry supports the successful synthesis of d5‐barbarin. Purity of the recrystallized product was ascertained by High Performance Liquid Chromatography (HPLC) to be greater than 98%. Together, we have developed the synthesis and full characterization of d5‐barbarin for use as an internal standard in barbarin‐related and equine forensic research.
IL‐33/ST2 pathway as upper‐hand of inflammation in allergic asthma contributes as predictive biomarker in heart failure
Authors: Mehrabi Nasab Entezar , Hassanzadeh Makoei Reza , Aghajani Hassan , Athari Seyyed Shamsadin
Published: August 2022

Allergic asthma is an inflammatory disorder of the bronchi, and as a major health problem, more than 350 million people suffer from asthma in the world. Many cardiovascular disorders resulted in the impairment of the heart's power to pump blood that leads to the HF. More than 25 million people worldwide live with HF. Accordingly, identifying the biomarkers to predict the onset of future asthma and HF is necessary. IL‐33 is an inflammatory cytokine that has the main role in pathophysiology of asthma and HF. Also, in IL‐33 receptor, the ST2 is involved in cardiac fibrosis and remodelling in HF and pathogenesis of allergic asthma. Increased sST2 in allergic asthma helps to control inflammation during asthma, but increased sST2 in HF is a predictable biomarker to present risk factor of HF during the time of the patients.
Humanized mice for investigating SARS‐CoV‐2 lung infection and associated human immune responses
Authors: Sun Renren , Zhao Zongzheng , Fu Cong , Wang Yixin , Guo Zhendong , Zhang Chunmao , Liu Lina , Zhang Cheng , Shu Chang , He Jin , Yang Yong‐Guang , Hua Shucheng , Gao Yuwei , Hu Zheng
Published: August 2022

There is an urgent need for animal models of coronavirus disease 2019 to study immunopathogenesis and test therapeutic intervenes. In this study, we showed that NOD/SCID IL2rg–/– (NSG) mice engrafted with human lung (HL) tissue (NSG‐L mice) could be infected efficiently by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), and that live virus capable of infecting Vero cells was found in the HL grafts and multiple organs from infected NSG‐L mice. RNA‐Sequencing identified a series of differentially expressed genes, which are enriched in viral defense responses, chemotaxis, IFN stimulation and pulmonary fibrosis, between HL grafts from infected and control NSG‐L mice. Furthermore, when infected with SARS‐CoV‐2, humanized mice with both human immune system (HIS) and autologous HL grafts (HISL mice) had bodyweight loss and hemorrhage and immune cell infiltration in HL grafts, which were not observed in immunodeficient NSG‐L mice, indicating the development of anti‐viral immune responses in these mice. In support of this possibility, the infected HISL mice showed bodyweight recovery and lack of detectable live virus at the later time. These results demonstrate that NSG‐L and HISL mice are susceptible to SARS‐CoV‐2 infection, offering a useful in vivo model for studying SARS‐CoV‐2 infection and the associated immune response and immunopathology, and testing anti‐SARS‐CoV‐2 therapies.
Crystalline Assembly and Solvent‐induced Solid‐state Transformation of 1D Zigzag Chains Based on Sulfonylcalix[4]arene Trinuclear Co(II) and Zn(II) Clusters
Authors: Kniazeva Mariia V. , Ovsyannikov Alexander S. , Islamov Daut R. , Samigullina Aida I. , Gubaidullin Aidar T. , Dorovatovskii Pavel V. , Solovieva Svetlana E. , Antipin Igor S. , Ferlay Sylvie
Published: August 2022

The reproducible formation, in mild conditions, of three new 1D zigzag coordination polymers using sulfonylcalix[4]arene (TCASO2), metal M2+ cations (M=Co or Zn) and rigid planar N‐shaped linkers (stilbene‐4,4′‐dicarboxylic acid (1‐2H) or azobenzene‐4,4′‐dicarboxylic acid (2‐2H)) is reported. The obtained coordination compounds (1‐TCASO2Zn3, 1‐TCASO2Co3 and 2‐TCASO2Zn3) are characterized in the crystalline phase using single crystal and powder X‐ray diffraction (XRD and XRPD), TGA and IR‐spectroscopy. The three compounds present the same coordination pattern and 1‐TCASO2Zn3 and 2‐TCASO2Zn3 reveal to be isostructural. Due to a high porosity and amount of accommodated solvent molecules hosted in the network, the generated rigid 1D chains are capable to undergo a reversible dynamic solid‐state transformation in terms of crystal packing, accompanied with release/uptake of DMSO molecules leading to compression/stretching of the unit cell along one of the crystallographic axis which was attested by Rietveld refinement on XRPD data.
The association between serum estradiol levels and sperm DNA integrity
Authors: Lu Viktor , Svensjö Oscar , Axelsson Jonatan
Published: August 2022

In men from the general population, BMI has been associated with a lower sperm DNA fragmentation index (DFI). We wondered whether this could be due to estradiol, which is associated with BMI and reported important for sperm function. Our objective was to investigate the association between estradiol and DFI. In 2008–2010, we recruited 284 young men from the general population to deliver samples of semen and blood and answer questionnaires. Serum concentrations of reproductive hormones and DFI were analyzed, the latter using the Sperm Chromatin Structure Assay. Associations were studied using general linear models. The first model utilized metric values of estradiol, whereas the second model compared men with high and low levels, dichotomized by the median value. A possible interaction between estradiol and testosterone was also examined. When investigating metric estradiol levels and DFI, an inverse association was seen without adjustments (p = .02), but the statistical significance was lost at adjustments for potential confounders (p = .08). Men with lower estradiol levels (<88 pmol/L, mean 71 pmol/L) had a statistically significantly higher DFI than men with higher levels of estradiol (≥88 pmol/L, mean 110 pmol/L). Mean ratio difference was 1.21 (p = .002) without adjustments and 1.18 (p = .01) with adjustments. A statistically significant difference in DFI was observed in men with testosterone levels below median when comparing high and low estradiol (p < .001). This study supports the idea that serum estradiol levels are protective for sperm DNA integrity, at least at lower testosterone levels.