bluuebunny/crossref_metadata_2025 huggingface dataset:
syn/anti‐Oligothienoacene Diimides with up to 10 Fused Rings
Authors: Wen Jingjing , Qiu Fei , Liu Han , Liu Xinyue , Hu Hui , Duan Yuxiao , Wang Zhaohui , Zhang Lei
Published: November 2021

We report a facile and powerful strategy to prepare libraries of oligothienoacene diimides that include anti‐ and syn‐isomers using palladium‐catalyzed C−H activation and an unexpected 1,2‐sulfur migration. Through this strategy, a series of oligothienoacene diimides containing 6, 8, and 10 fused rings were synthesized. The molecular geometry and extent of π‐conjugation have dramatic effects on the electronic properties, degree of crystallinity, and charge‐carrier transport properties. Notably, single‐crystal microfibers of syn‐3 c show electron mobilities up to 4.2 cm2 V−1 s−1, illustrating the significant potential of these materials for organic electronic devices. Our work demonstrates the versatility of this strategy for the development of oligothienoacene diimide libraries, in particular complex and large syn‐oligothienoacene diimides, which are difficult to prepare by present methods.
What Distinguishes the Strength and the Effect of a Lewis Acid: Analysis of the Gutmann–Beckett Method
Authors: Erdmann Philipp , Greb Lutz
Published: November 2021

IUPAC defines Lewis acidity as the thermodynamic tendency for Lewis pair formation. This strength property was recently specified as global Lewis acidity (gLA), and is gauged for example by the fluoride ion affinity. Experimentally, Lewis acidity is usually evaluated by the effect on a bound molecule, such as the induced 31P NMR shift of triethylphosphine oxide in the Gutmann–Beckett (GB) method. This type of scaling was called effective Lewis acidity (eLA). Unfortunately, gLA and eLA often correlate poorly, but a reason for this is unknown. Hence, the strength and the effect of a Lewis acid are two distinct properties, but they are often granted interchangeably. The present work analyzes thermodynamic, NMR specific, and London dispersion effects on GB numbers for 130 Lewis acids by theory and experiment. The deformation energy of a Lewis acid is identified as the prime cause for the critical deviation between gLA and eLA but its correction allows a unification for the first time.
Hygrothermal aging and water absorption behavior of radial tire composites
Authors: Jiang Ning , Li Mengdi , Li Di , Li Yuankun , Zhang Ru , Song Hui , Liu Xingfeng , Ge Wenqing , Li Ning , Chen Chaozhong
Published: November 2021

Radial tires (RT) are widely used in the automobile. However, the moisture absorption characteristics of the tire in the hygrothermal environment accelerate tire aging and affect the service life. This work focused on the water absorption behavior and durability of RT composites in the hygrothermal environment. The effects of aging in water at 30, 60, and 90°C on water absorption, chemical degradation, and internal structure of RT composites were investigated. The results showed that the water diffusion of RT composites followed the Fickian's law of diffusion in the initial stage. The kinetic parameters of water absorption were also determined at this stage and were closely related to the change of temperature. Then, moisture led to the poor interface and the degradation of RT composites. Natural rubber (NR) matrix swelled due to the invasion of water, which developed stresses that could cause microcracks of the matrix in the second stage. Moreover, moisture promoted hydrolysis of the NR matrix and agents in the third stage. The water molecules existed in unbound water and bound water, which made the water diffusion followed the Langmuir adsorption model.
Barrier behavior evaluation of polyamide 12 nanoclay composite to offshore application by electrochemical impedance spectroscopy
Authors: Valério Murilo B. , dos Santos Larissa E. G. , de Carvalho Ladimir J. , Reznik Leila Y. , da Silva Ana Lúcia Nazareth
Published: November 2021

Commercially, polyamide 12 (PA12) is one of the polymers applied as an internal insulation layer in offshore exploitation. The present study aims to produce a hybrid system based on PA12 with 5 wt% of a nanoclay grade (montmorillonite – MMT) and evaluate its effect on the barrier behavior of the PA12 matrix, the exact grade used in the pressure layer of flexible pipe, over carbon steel AISI 1020, metallic alloy responsible for providing the mechanical properties to flexible pipes. The barrier behavior, related to ion and molecule diffusion in synthetic production water, was assessed by Electrochemical Impedance Spectroscopy (EIS) and linear sweep voltammetry (LSV) analysis, which allow for interpreting the carbon steel corrosion mechanisms. One also carried out Fourier transform infrared, X‐ray diffraction, and Scanning electron microscopy analyzes. The data showed that the MMT lamellae are well‐dispersed in the PA12 matrix. EIS and LSV analysis results showed higher corrosion protection efficiency by the system composed of PA12/MMT once compared to the system without adding the load.
Structural and functional properties of collagen from tilapia scales pretreated by heat‐assisted ionic liquids
Authors: Huang Liurong , Ding Shuang , Chen Tian , Wu Ruike , Wang Xinyu , Jia Shifang
Published: November 2021

This paper explores the structural and functional properties of collagen from tilapia scales pretreated by heat‐assisted ionic liquids (ILs). Results show that the solubility of collagen was significantly influenced by the type and concentration of ILs. With the increase of IL concentration, a remarkable decrease in solubility of collagen was seen. Fluorescence spectra show that heat and IL pretreatments induced the exposure of chromophores. Changes in sodium dodecyl sulfate–polyacrylamide gel electrophoresis indicated that subunits of collagen regenerated from most of the IL solvent systems were not destroyed. The functional properties of regenerated collagen were evaluated by gel strength, viscosity, water‐binding capacity, and emulsifying capacity. Results show that all heat‐assisted ILs pretreatments improved the gel strength and viscosity, and the highest gel strength and viscosity were both obtained in the collagen pretreated by heat‐assisted [EMIM]Cl. Heat‐assisted [BMIM]BF4 pretreatment exhibited the lowest water‐binding capacity. Heat‐assisted [BDMIM]Cl pretreatment indicated superior effect on improving emulsifying capacity than other pretreatments due to its ability to break most of the hydrogen bonds in collagen molecules, resulting in the formation of new re‐aggregates with higher solubility and more hydrophobic groups.
E2F transcription factor 1 elevates cyclin D1 expression by suppressing transcription of microRNA‐107 to augment progression of glioma
Authors: Xie Huan , Lv Shigang , Wang Zhaozhen , Yuan Xinzhang
Published: November 2021

Background

Dysregulation of microRNAs has been frequently implicated in the progression of human diseases, including glioma. This study aims to explore the interaction between E2F transcription factor 1 (E2F1) and miR‐107 in the progression of glioma.

Methods

Expression of miR‐107 in glioma tissues and cells was examined. Putative binding sites between E2F1 and the promoter region of miR‐107, and between miR‐107 and cyclin D1 (CCND1) mRNA were predicted via bioinformatic systems and validated via chromatin immunoprecipitation and luciferase reporter gene assays. Altered expression of miR‐107, E2F1, and CCND1 was introduced in A172 and T98G cells to examine their roles in cell growth and the activity of the Wnt/β‐catenin signaling. In vivo experiments were performed by injecting cells in nude mice.

Results

miR‐107 was poorly expressed, whereas E2F1 and CCND1 were highly expressed in glioma tissues and cells. E2F1 bound to the promoter region of miR‐107 to induce transcriptional repression, and miR‐107 directly bound to CCND1 mRNA to reduce its expression. Overexpression of miR‐107 reduced proliferation, migration and invasion, and augmented apoptosis of glioma cells, and it reduced activity of the Wnt/β‐catenin pathway. The anti‐tumorigenic roles of miR‐107 were blocked by E2F1 or CCND1 overexpression. Similar results were reproduced in vivo where miR‐107 overexpression or E2F1 inhibition blocked tumor growth in nude mice.

Conclusion

This study suggested that E2F1 reduces miR‐107 transcription to induce CCND1 upregulation, which leads to progression of glioma via Wnt/β‐catenin signaling activation.
Modeling of Catalytic CO2 Methanation Using Smart Computational Schemes
Authors: Dashti Amir , Bazdar Mahsa , Akbari Fakhrabadi Ehsan , Mohammadi Amir H.
Published: November 2021

An analyzing tool as a sustainable method to combine CO2 capture and production of CH4 by utilizing CO2 as a feedstock is proposed. The impact of incorporating metallic promoters such as Fe, La, Ce, and Co to an Al2O3‐supported catalyst containing Ni as the first metal in the CO2 methanation was modeled. Smart models were employed to analyze the CO2 conversion and CH4 selectivity in CH4 production from CO2. The genetic programming (GP) model provides a mathematical framework for the estimation of CO2 conversion and CH4 selectivity. The model inputs are catalyst surface area, temperature, H2/CO2 ratio, gas‐hourly space velocity, and catalyst pore volume and diameter. The results confirm that the GP model estimates the CO2 conversion and CH4 selectivity very well.
Herbage accumulation and nutritive value of stockpiled limpograss and ‘Tifton 85' bermudagrass
Authors: Santos Erick Rodrigo da Silva , Dubeux José C. B. , Jaramillo David Mirabedini , Garcia Liza , Vendramini João , DiLorenzo Nicolas , Dantas Queiroz Luana Mayara , Pereira‐Neto José Diógenes , Sousa de Abreu Daciele , Ruiz‐Moreno Martin
Published: November 2021

Stockpiling limpograss [Hemarthria altissima (Poir.) Stapf & C.E. Hubb.] may be an option to extend the grazing season and decrease the needs for conserved forage in Florida. This 2‐yr study evaluated herbage accumulation (HA), in vitro digestible organic matter (IVDOM), and crude protein (CP) concentrations of four limpograss entries (‘Floralta’, ‘Gibtuck’, ‘Kenhy’, and Entry 1) and ‘Tifton 85′ bermudagrass [Cynodon spp.] during the growth (May–August) and stockpiling (September–January) periods. During the growth period, treatments were the five grasses. During the stockpiling period, treatments were allocated in a split‐plot arrangement with five grasses (main plot) and four stockpiling periods (5, 10, 15, or 20 wk; subplot). Limpograss and Tifton 85 had similar total HA (mean = 8,150 lb dry matter [DM] acre–1) during the growth period, and Gibtuck had greater HA per harvest than Kenhy and Entry 1 (2,360 vs. 1,940 lb DM acre–1, respectively). Regardless of the stockpiling period, HA was similar among treatments. At 15 wk, HA was maximized in both years, despite being similar to 10 and 20 wk in the first year. In general, limpograss had greater IVDOM and lesser CP concentration than Tifton 85 during growth and stockpiling periods. The decline in IVDOM was slower for stockpiled limpograss than Tifton 85, with greater differences occurring at 15 and 20 wk. Stockpiling limpograss may be an alternative to extend the grazing season in livestock operations, however protein supplementation might be needed to maintain or improve animal performance.
Being Positive is Not Everything – Experimental and Computational Studies on the Selectivity of a Self‐Assembled, Multiple Redox‐State Receptor that Binds Anions with up to Picomolar Affinities
Authors: Zubi Ahmed , Alnafisah Hawazin A. , Turega Simon , Marques Igor , Gomes José R. B. , Thomas Jim A. , Félix Vítor
Published: November 2021

The interaction of the self‐assembled trinuclear ruthenium bowl13+, that displays three other accessible oxidation states, with oxo‐anions is investigated. Using a combination of NMR and electrochemical experimental data, estimates of the binding affinities of14+,15+, and16+for both halide and oxo‐anions were derived. This analysis revealed that, across the range of oxidation states of the host, both high anion binding affinities (>109 M−1for specific guests bound to16+) and high selectivities (a range of >107 M−1) were observed. As the crystal structure of binding of the hexafluorophosphate anion revealed that the host has two potential binding sites (named the α and β pockets), the host‐guest properties of both putative binding sites of the bowl, in all of its four oxidation states, were investigated through detailed quantum‐based computational studies. These studies revealed that, due to the interplay of ion‐ion interactions, charge‐assisted hydrogen‐bonding and anion‐π interactions, binding to the α pocket is generally preferred, except for the case of the relatively large and lipophilic hexafluorophosphate anionic guest and the host in the highest oxidation states, where the β pocket becomes relatively favourable. This analysis confirms that host‐guest interactions involving structurally complex supramolecular architectures are driven by a combination of non‐covalent interactions and, even in the case of charged binding pairs, simple ion‐ion interactions alone cannot accurately define these recognition processes.
Comprehensive Structural Analysis of the Bitter Components in Beer by the HPLC‐Assisted Crystalline Sponge Method
Authors: Taniguchi Yoshimasa , Kikuchi Takashi , Sato Sota , Fujita Makoto
Published: November 2021

Trans‐iso‐α‐acid is one of the main contributors to the bitter taste of fresh beer and is known to transform into various derivatives during beer aging. However, structural characterization of the derivatives has been a challenging task because of the formation of too many components. Herein, we report that most of the transformation products of trans‐iso‐α‐acid, isolated in this study in only small quantities by HPLC, can be structurally analyzed with the crystalline sponge method. Thirteen compounds, including eight that were previously unreported, have been successfully isolated and analyzed with complete assignment of their absolute configuration. This provides an improved understanding of the chemical transformations that occur during beer aging.
One‐Pot Direct Oxidation of Primary Amines to Carboxylic Acids through Tandem ortho‐Naphthoquinone‐Catalyzed and TBHP‐Promoted Oxidation Sequence
Authors: Si Tengda , Kim Hun Young , Oh Kyungsoo
Published: November 2021

Biomimetic oxidation of primary amines to carboxylic acids has been developed where the copper‐containing amine oxidase (CuAO)‐like o‐NQ‐catalyzed aerobic oxidation was combined with the aldehyde dehydrogenase (ALDH)‐like TBHP‐mediated imine oxidation protocol. Notably, the current tandem oxidation strategy provides a new mechanistic insight into the imine intermediate and the seemingly simple TBHP‐mediated oxidation pathways of imines. The developed metal‐free amine oxidation protocol allows the use of molecular oxygen and TBHP, safe forms of oxidant that may appeal to the industrial application.
Ag‐Coupled Polymeric Nanohybrids with Synergistic Photodynamic and Photothermal Activities for Advanced Antibacterial Therapy
Authors: Liu Bei , Liu Yafang , Qin Jinglei , Peng Hongshang
Published: November 2021

Considering the implications of inherent resistance of pathogenic bacteria, it is important to design a new generation of nonchemotherapic nanoagents for effective antibacterial therapy. Herein, we illustrate a one‐step reprecipitation‐encapsulation strategy to incorporate hydrophobic photosensitizers (ZnPc) and photothemal agents (dopamine hydrochloride) with a cationic poly‐L‐lysine (PLL) layer. Upon light irradiation, the polymeric nanohybrid exhibits high photo‐to‐thermal conversion efficiency (30.3%) and effective 1O2 generation capability. To further enhance the antibacterial efficiency, Ag nanoparticle, a typical broad‐spectrum antibacterial agent, was decorated on the surface of PLL layer by in‐situ reduction. The as‐synthesized nanohybrids, referred to as ZnPc/DA@Ag, achieved a robust photodynamic/photothermal/Ag antibacterial capability without apparent systemic toxicity, thus holding great potential for broad‐spectrum eradication of pathogenic bacteria.
Strong Structural and Electronic Binding of Bovine Serum Albumin to ZnO via Specific Amino Acid Residues and Zinc Atoms
Authors: Hematian Hadi , Ukraintsev Egor , Rezek Bohuslav
Published: November 2021

ZnO biointerfaces with serum albumin have attracted noticeable attention due to the increasing interest in developing ZnO‐based materials for biomedical applications. ZnO surface morphology and chemistry are expected to play a critical role on the structural, optical, and electronic properties of albumin‐ZnO complexes. Yet there are still large gaps in the understanding of these biological interfaces. Herein we comprehensively elucidate the interactions at such interfaces by using atomic force microscopy and nanoshaving experiments to determine roughness, thickness, and adhesion properties of BSA layers adsorbed on the most typical polar and non‐polar ZnO single‐crystal facets. These experiments are corroborated by force field (FF) and density‐functional tight‐binding (DFTB) calculations on ZnO‐BSA interfaces. We show that BSA adsorbs on all the studied ZnO surfaces while interactions of BSA with ZnO are found to be considerably affected by the atomic surface structure of ZnO. BSA layers on thesurface have the highest roughness and thickness, hinting at a specific upright BSA arrangement. BSA layers onsurface have the strongest binding, which is well correlated with DFTB simulations showing atomic rearrangement and bonding between specific amino acids (AAs) and ZnO. Besides the structural properties, the ZnO interaction with these AAs also controls the charge transfer and HOMO‐LUMO energy positions in the BSA‐ZnO complexes. This ZnO facet‐specific protein binding and related structural and electronic effects can be useful for improving the design and functionality of ZnO‐based materials and devices.
Naphthalenyl‐Substituted α,α′‐Bisimino‐2,3 : 5,6‐Bis(pentamethylene)pyridines as Thermally Robust Supports for Iron Ethylene Polymerization Catalysts
Authors: Lin Wenhua , Zhang Liping , Solan Gregory A. , Ma Yanping , Liang Tongling , Sun Wen‐Hua
Published: November 2021

Six examples of N,N,N‐chelated iron(II) chloride complex, [2,3 : 5,6‐{C4H8C(NAr)}2C5H3N]FeCl2 (Ar=1‐C10H7 Fe1, 2‐Me‐1‐C10H6 Fe2, 2‐(CHMePh)‐1‐C10H6 Fe3, 2‐Cl‐1‐C10H6 Fe4, 4‐Br‐1‐C10H6 Fe5, 4‐NO2‐1‐C10H6 Fe6), differing in the steric/electronic properties of the substituents appended to the N‐naphthalen‐1‐yl groups, have been synthesized in reasonable yield via a facile one‐pot route. The molecular structure of five‐coordinate Fe3 emphasizes the steric hindrance imposed on the iron center by the CHMePh‐substituted bicyclic aromatic groups. With either methylaluminoxane (MAO) or modified methylaluminoxane (MMAO) as activator, the complexes displayed a wide range in catalytic activities for ethylene polymerization with the order for MMAO being: Fe3>Fe2≫Fe1>Fe4≫Fe5 while Fe6 was almost inactive. In particular, Fe3/MMAO exhibited exceptionally high activity at 70 °C (up to 15.7×106 g (PE) mol−1 (Fe) h−1) affording low molecular weight (2.97 kg mol−1) polyethylene of high linearity and narrow dispersity (Mw/Mn=1.38). Moreover, the same catalyst displayed excellent thermostability by maintaining high activity at 90 °C (up to 9.26×106 g (PE) mol−1 (Fe) h−1). Similar activity trends were observed with MAO though the catalysts were in general less active but formed distinctly higher molecular weight polyethylene.
Substituent Dependent Cyclization Reactions of 1,1'‐Bis(alkynyl)ferrocenes with the (C6F5)BH2 ⋅ SMe2 Hydroboration Reagent
Authors: Škoch Karel , Daniliuc Constantin G. , Kehr Gerald , Erker Gerhard
Published: November 2021

The reaction of 1,1'‐bis(tert‐butylethynyl)ferrocene (4 a) with the (C6F5)BH2 ⋅ SMe2 reagent results in two‐fold hydroboration to give the boron containing [3]ferrocenophane 5. It reacts with xylylisocyanide by insertion into the boron‐carbon bond to give the ring enlarged boron containing [4]ferrocenophane derivative 8. 1,1'‐Bis(trimethylsilylethynyl)ferrocene (4 b) undergoes the hydroboration reaction with (C6F5)BH2 with inverted regioselectivity. This results in the formation of the 16‐membered dimeric bis‐boron containing macrocyclic bridged bis‐ferrocene system 10.
Access to 2‐Arylquinazolin‐4(3H)‐ones through Intramolecular Oxidative C(sp3)−H/N−H Cross‐Coupling Mediated by I2/DMSO
Authors: Wen Simiaomiao , Du Yifan , Liu Yiwen , Cui Xiaofeng , Liu Qixing , Zhou Haifeng
Published: November 2021

A novel approach for the synthesis of 2‐arylquinazolin‐4(3H)‐ones was developed. A series of title compounds were obtained with good functional group tolerance and good yields by I2/DMSO‐mediated intramolecular oxidative cross‐coupling of 2‐(benzylamino)benzamides to form C=N double bonds. This method was applicable for gram‐scale synthesis. A proposed reaction pathway based on some control experiments was also provided.
Expanding the clinicopathological spectrum of TGFBR3‐PLAG1 rearranged salivary gland neoplasms with myoepithelial differentiation including evidence of high‐grade transformation
Authors: Rupp Niels J. , Höller Sylvia , Brada Muriel , Vital Domenic , Morand Grégoire B. , Broglie Martina A. , Huellner Martin W. , Freiberger Sandra N.
Published: November 2021

PLAG1 rearrangements have been described as a molecular hallmark of salivary gland pleomorphic adenoma (PA), carcinoma ex pleomorphic adenoma (CEPA), and myoepithelial carcinoma (MECA). Several fusion partners have been described, however, commonly no further assignment to the aforementioned entities or a morphological prediction can be made based on the knowledge of the fusion partner alone. In contrast, TGFBR3‐PLAG1 fusion has been specifically described and characterized as an oncogenic driver in MECA, and less common in MECA ex PA. Here, we describe the clinicopathological features of three TGFBR3‐PLAG1 fusion‐positive salivary gland neoplasms, all of which arose in the deep lobe of the parotid gland. Histopathology showed high morphological similarities, encompassing encapsulation, a polylobular growth pattern, bland basaloid and oncocytoid cells with myoepithelial differentiation, and a distinct sclerotic background. All cases showed at least limited, unusual foci of minimal invasion into adjacent salivary gland tissue, including one case with ERBB2 (Her2/neu) amplified, TP53 mutated high‐grade transformation, and lymph node metastases. Of note, all cases illustrated focal ductal differentiation. Classification remains difficult, as morphological overlaps between myoepithelial‐rich cellular PA, myoepithelioma, and MECA were observed. However, evidence of minimal invasion advocates classification as low‐grade MECA. This case series further characterizes the spectrum of uncommon cellular myoepithelial neoplasms harboring TGFBR3‐PLAG1 fusion, which show recurrent minimal invasion of the adjacent salivary gland tissue, a predilection to the deep lobe of the parotid gland, and potential high‐grade transformation.
Health literacy: What lessons can be learned from the experiences and policies of different countries?
Authors: Adriaenssens Jef , Rondia Karin , Van den Broucke Stephan , Kohn Laurence
Published: November 2021

Background

Adequate levels of health literacy (HL) are crucial to ensure good quality of health, social life and wellbeing. HL is a mediating factor in health disparities. Low HL hampers interaction with healthcare. HL is a shared responsibility of individuals and the healthcare system. Multi‐dimensional programs and policies should be set up.

Aim

To learn from current HL policies and action plans and to identify elements to consider for the development of national HL plans.

Method

Transversal analysis of HL policies in six countries, based on a preliminary scoping review. A combination of document analysis and key informant approach. Local experts validated and completed information for their country. A transversal comparison was performed.

Results

Several approaches were identified, often influenced by contextual factors, healthcare reforms and existence of centers of expertise. Some governments developed full‐fledged, standalone plans, while others developed broader plans covering the entire health and care sector. Some took a conceptually driven, high level approach. Others took a pragmatic approach. And some did not have a governmental plan at all.

Conclusion

Policy makers should analyse their state structure and health system, and search for local ‘pockets of excellence’, to develop a well‐planned, substantiated HL approach for their country.
Adalimumab and sulfasalazine in alleviating sacroiliac and aortic inflammation detected in PET/CT in patients with axial spondyloarthritis: PETSPA
Authors: Kaijasilta Juha‐Pekka , Kerola Anne M. , Tuompo Riitta , Relas Heikki , Loimaala Antti , Koivu Hannu , Schildt Jukka , Kerola Tuomas , Eklund Kari , Kauppi Markku J. , Nieminen Tuomo V. M.
Published: November 2021

Aim

Inflammatory signals in the sacroiliac (SI) joints and the aorta of patients with axial spondyloarthritis (axSpA) were graded by positron emission tomography/computed tomography (PET/CT) imaging before and after treatment with sulfasalazine (SSZ) or adalimumab (ADA).

Methods

Patients with axSpA, Bath Ankylosing Spondylitis Disease Activity Index (BASDAI) ≥ 4, were recruited. Disease‐modifying antirheumatic drug‐naïve patients started SSZ for 12 weeks, whereas those with prestudy treatment with or contraindication to SSZ commenced ADA for 16 weeks. In addition, those patients in the SSZ group with insufficient response commenced ADA for 16 weeks. 18F‐fluorodeoxyglucose PET/CT was performed after inclusion and after treatment with SSZ and ADA. Maximum standardized uptake value (SUVmax) was assessed for the aorta and the SI joints, and maximal target‐to‐blood‐pool ratio (TBRmax) only for the aorta.

Results

Among five SSZ patients, mean ± SD BASDAI was 4.7 ± 1.6 before and 3.5 ± 1.4 after treatment (p = .101). In 13 ADA patients, the BASDAI decreased from 5.4 ± 1.6 to 2.8 ± 2.2 (p < .001). Among the SSZ patients, SUVmax in SI joints decreased from 2.35 ± 0.55 to 1.51 ± 0.22 (−35.8%, p = .029). Aortic TBRmax decreased from 1.59 ± 0.43 to 1.26 ± 0.26 (−33.2%, p = .087). In the ADA patients, SUVmax in the SI joints was 1.92 ± 0.65 before and 1.88 ± 0.54 after treatment (−1.8%, p = .808) and TBRmax in the aorta 1.50 ± 0.60 before and 1.40 ± 0.26 after treatment (−6.7%, p = .485).

Conclusions

Our small open‐label study showed that SSZ may reduce PET‐CT‐detectable inflammation in the SI joints, with a trend towards a reduction in the aorta.
Antiviral drugs suppress infection of 2019‐nCoV spike pseudotyped virus by interacting with ACE2 protein
Authors: Wang Jue , Zhang Yongjing , Hu Shiling , Bai Haoyun , Xue Zhuoyin , Liu Yanhong , Ma Weina
Published: November 2021

The outbreak of coronavirus disease 2019 (COVID‐19) has induced a large number of deaths worldwide. Angiotensin‐converting enzyme 2 (ACE2) is the entry receptor for the 2019 novel coronavirus (2019‐nCoV) to infect the host cells. Therefore, ACE2 may be an important target for the prevention and treatment of COVID‐19. The aim of this study was to investigate the inhibition effect of valaciclovir hydrochloride (VACV), zidovudine (ZDV), saquinavir (SQV), and efavirenz (EFV) on 2019‐nCoV infection. The results of molecule docking and surface plasmon resonance showed that VACV, ZDV, SQV, and EFV could bind to ACE2 protein, with the KD value of (4.33 ± 0.09) e−8, (6.29 ± 1.12) e−6, (2.37 ± 0.59) e−5, and (4.85 ± 1.57) e−5 M, respectively. But only ZDV and EFV prevent the 2019‐nCoV spike pseudotyped virus to enter ACE2‐HEK293T cells with an EC50 value of 4.30 ± 1.46 and 3.92 ± 1.36 μM, respectively. ZDV and EFV also have a synergistic effect on preventing entry of virus into cells. In conclusion, ZDV and EFV suppress 2019‐nCoV infection of ACE2‐HEK293T cells by interacting with ACE2.
Data on multiple regression analysis between boron, nickel, arsenic, antimony, and biological substrates in horses: The role of hematological biomarkers
Authors: Giannetto Claudia , Fazio Francesco , Nava Vincenzo , Arfuso Francesca , Piccione Giuseppe , Coelho Clarisse , Gugliandolo Enrico , Licata Patrizia
Published: November 2021

The objective of this study was to evaluate the biomarkers of exposure to boron, nickel, arsenic, and antimony in an industrial region, evaluating the bioaccumulation in biological substrates and the correlation with biomarkers such as hematological parameters. Through indication of the accumulation of some minerals in the horse's biological substrates reflects environmental pollution. Moreover, an additional aim of the study was to show whether these contaminants have an influence on the hematological parameters in horses. Blood, serum, mane, and tail samples from 20 horses from an industrial area were analyzed to determine boron (B), nickel (Ni), arsenic (As), antimony (Sb) concentration. Hematological parameters (red blood cell [RBC], white blood cells [WBC], hemoglobin [Hb], hematocrit [Hct], mean corpuscular volume [MCV], mean corpuscular hemoglobin [MCH], mean corpuscular hemoglobin concentration [MCHC], platelet [PLT]) as a biomarker of blood in relation to the bioaccumulation of these elements were analyzed also. Descriptive statistical analysis was performed and single regression analysis (Pearson) and multiple regression analysis (p < 0.05) between blood factors, As, B, Ni, and Sb concentrations, and for each mineral in different substrate, respectively. Results showed a significant correlation between tail and mane concentrations with serum and blood for boron concentration (r = −1 p < 0.05). No significant correlation between sample (feed, hay, mane, tail, and water) concentrations and As, Ni, and Sb were found. A significantly negative correlation with blood parameters (r = −1 p < 0.05) was observed in Boron concentration for mane and tail. This suggests that the mane and tail may be a potential means to investigate suspected exposure to excessive levels of trace minerals.
Activation of SGLT3a in endometrial epithelial cells induces paracrine stromal cell decidualization
Authors: Liu Min , Wang Yicheng , Ma Yongdan , Zhang Xueqin , Zhang Lixue , Nie Li , Guo Wenjing , Zhao Dan , Zhang Jinhu , Yuan Dongzhi , Yue Limin
Published: November 2021

Endometrial epithelial cells (EECs) and stromal cells (ESCs) have a close functional association. During the peri‐implantation period, EECs with enhanced functional activities secrete a variety of paracrine factors to promote the decidualization of ESCs. However, little is known about the specific process by which EECs secrete paracrine factors to induce the decidualization of ESCs. Some evidence suggests that the activation of sodium‐glucose cotransporter 3a (SGLT3a) induces the depolarization of ESCs to affect their function. Therefore, SGLT3a acts as a sensor molecule in certain cell types. In this study, the expression of SGLT3a was investigated in EECs to determine whether its levels increased during the peri‐implantation period in female mice. The activation of SGLT3a in mouse EECs induced Na+‐dependent depolarization of the cell membrane and an influx of extracellular Ca2+, which further promoted the expression and release of the paracrine factors prostaglandin E2 (PGE2) and F2‐alpha (PGF2α) by upregulating the expression of cyclooxygenase‐2. In turn, PGE2 and PGF2α induced the decidualization of ESCs. Importantly, we identified SGLT3a as a key molecule involved in the cross‐talk between EECs and ESCs during the process of uterine decidualization.
Red meat consumption and risk of frailty in older women
Authors: Struijk Ellen A. , Fung Teresa T. , Sotos‐Prieto Mercedes , Rodriguez‐Artalejo Fernando , Willett Walter C. , Hu Frank B. , Lopez‐Garcia Esther
Published: November 2021

Background

Red meat is a nutrient‐dense source of protein fundamental for older adults; however, red meat is also high in detrimental components, including saturated fat. It is unclear whether habitual red meat consumption is associated with risk of frailty. This study aimed to examine the prospective association between the consumption of total, unprocessed, and processed red meat and the risk of frailty in older adults.

Methods

We analysed data from 85 871 women aged ≥60 participating in the Nurses' Health Study. Consumption of total, unprocessed, and processed red meat was obtained from repeated food frequency questionnaires administered between 1980 and 2010. Frailty was defined as having at least three of the following five criteria from the FRAIL scale: fatigue, low strength, reduced aerobic capacity, having ≥5 chronic illnesses, and unintentional weight loss ≥5%. The occurrence of frailty was assessed every four years from 1992 to 2014.

Results

During 22 years of follow‐up (median follow‐up 14 years), we identified 13 279 incident cases of frailty. Women with a higher intake of red meat showed an increased risk of frailty after adjustment for lifestyle factors, medication use, and dietary factors. The relative risk (95% confidence interval) for one serving/day increment in consumption was 1.13 (1.08, 1.18) for total red meat, 1.08 (1.02, 1.15) for unprocessed red meat, and 1.26 (1.15, 1.39) for processed red meat. When each component of the frailty syndrome was individually examined, each of them was positively associated with total red meat consumption, except for the weight loss criterion. Replacing one serving/day of unprocessed red meat with other protein sources was associated with significantly lower risk of frailty; the risk reduction estimates were 22% for fish and 14% for nuts, while for replacement of processed red meat, the percentages were 33% for fish, 26% for nuts, 13% for legumes, and 16% for low‐fat dairy.

Conclusions

Habitual consumption of unprocessed and processed red meat was associated with a higher risk of frailty. Replacement of red meat by other protein sources might reduce the risk of frailty. These findings are in line with dietary guidelines promoting diets that emphasize plant‐based sources of protein.
The importance of selection bias in prospective birth cohort studies
Authors: Larsson Henrik
Published: November 2021

Sophisticated statistical analyses of data from large‐scale prospective birth cohort studies combined with thoughtful study designs have advanced understanding about the causes, consequences and developmental course of child and adolescent mental health problems. Available large‐scale prospective cohort studies, such as ALSPAC, MoBA, and TEDS have many noteworthy strengths, but they all suffer from non‐random non‐participation and attrition over time. Recent findings have highlighted that prospective birth cohort studies need to carefully consider the importance of selection bias.
Effects of in utero exposure to monosodium glutamate on locomotion, anxiety, depression, memory and KCC2 expression in offspring
Authors: Biney Robert Peter , Djankpa Francis Tanam , Osei Silas Acheampong , Egbenya Daniel Lawer , Aboagye Benjamin , Karikari Akua Afriyie , Ussif Abdala , Wiafe Gideon Akuamoah , Nuertey David
Published: November 2021

In pregnancy, there is a significant risk for developing embryos to be adversely affected by everyday chemicals such as food additives and environmental toxins. In recent times, several studies have documented the detrimental effect of exposure to such chemicals on the behaviour and neurodevelopment of the offspring. This study evaluated the influence of the food additive, monosodium glutamate (MSG), on behaviour and development in mice. Pregnant dams were exposed to MSG 2 or 4 g/kg or distilled water from gestation day 10–20. On delivery, postnatal day 1 (PN 1), 3 pups were sacrificed and whole brain samples assayed for KCC2 expression by western blot. The remaining pups were housed until PN 43 before commencing behavioural assessment. Their weights were measured at birth and at 3 days intervals until PN 42. The impact of prenatal exposure to MSG on baseline exploratory, anxiety and depression behaviours as well as spatial and working memory was assessed. In utero exposure to 4 g/kg MSG significantly reduced exploratory drive and increased depression‐like behaviours but did not exert any significant impact on anxiety‐like behaviours (p < 0.01). Additionally, there was a two‐fold increase in KCC2 expression in both 2 and 4 g/kg MSG‐exposed offspring.

Conclusion

This study indicates that, in utero exposure to MSG increases the expression of KCC2 and causes significant effect on locomotion and depression‐like behaviours but only marginally affects memory function.
Coloring count cones of planar graphs
Authors: Dvořák Zdeněk , Lidický Bernard
Published: November 2021

For a plane near‐triangulation with the outer face bounded by a cycle , let denote the function that to each 4‐coloring of assigns the number of ways extends to a 4‐coloring of . The Block‐count reducibility argument (which has been developed in connection with attempted proofs of the Four Color Theorem) is equivalent to the statement that the function belongs to a certain cone in the space of all functions from 4‐colorings of to real numbers. We investigate the properties of this cone for , formulate a conjecture strengthening the Four Color Theorem, and present evidence supporting this conjecture.
Immune Response to Silk Sericin–Fibroin Composites: Potential Immunogenic Elements and Alternatives for Immunomodulation
Authors: Ode Boni Biaou Oscar , Bakadia Bianza Moïse , Osi Amarachi Rosemary , Shi Zhijun , Chen Hong , Gauthier Mario , Yang Guang
Published: November 2021

The unique properties of silk proteins (SPs), particularly silk sericin (SS) and silk fibroin (SF), have attracted attention in the design of scaffolds for tissue engineering over the past decades. Since SF has good mechanical properties, while SS displays bioactivity, scaffolds combining both proteins should exhibit complementary properties enhancing the potential of these materials. Unfortunately, SS–SF composites can generate chronic immune responses and their immunogenic element is not completely clear. The potential of SS–SF composites in tissue engineering, elements which may contribute to their immunogenicity, and alternatives for their preparation and design, to modulate the immune response and take advantage of their useful properties, are discussed in this review. It is known that SS can enhance β‐sheet formation in SF, which may act as hydrophobic regions with a strong affinity for adsorption proteins inducing the chronic recruitment of inflammatory cells. Therefore, tailoring the exposure of hydrophobic regions at the scaffold surface should represent a viable strategy to modulate the immune response. This can be achieved by coating SS–SF composites with SS or other hydrophilic polymers, to take advantage of their antibiofouling properties. Research is still needed to realize the full potential of these composites for tissue engineering.
Colorectal cancer risk susceptibility loci in a Swedish population
Authors: Liu Wen , Mahdessian Hovsep , Helgadottir Hafdis , Zhou Xingwu , Thutkawkorapin Jessada , Jiao Xiang ,   The Swedish Low‐risk Colorectal Cancer Study Group, Wolk Alicja , Lindblom Annika
Published: November 2021

To search for colorectal cancer (CRC) risk loci, Swedish samples were used for a genome‐wide haplotype analysis. A logistic regression model was employed in 2663 CRC cases and 1642 controls in the discovery analysis. Three analyses were done, on all, familial‐, and nonfamilial CRC samples and only results with odds ratio (OR) > 1 were analyzed. single nucleotide polymorphism (SNP) analysis did not generate any statistically significant results. Haplotype analysis suggested novel loci, on chromosome 2q36.1 (OR = 1.71, p value = 5.6924 × 10−8) in all CRC samples, chromosome 1q43 (OR = 4.04 p value = 3.24 × 10−8) in familial CRC samples, and two hits in nonfamilial CRC samples, chromosomes 2q36.1 (OR = 1.71 p value = 5.69 × 10−8) and 3p24.3 (OR = 1.62 p value = 6.21 × 10−9). Moreover, one locus on chromosome 20q13.33 was suggested in analyses of all samples, and five more novel loci were suggested on chromosomes 10q25.3, 15q,22.31, 17p11.2, 1p34.2, and 3q24. The haplotypes from the analysis of all samples were replicated in a second study of CRC cases and controls from the same part of Sweden. In summary, using haplotype analysis in Swedish CRC samples, the best hits were novel loci and the locus on chromosomes 2q36.1 and 20q13.33 suggested in the analysis of all samples were confirmed in a second cohort. The ORs were often higher than ORs from published genome‐wide association study (GWAS). The study suggested it was possible that a risk locus could involve more than one gene, and that haplotypes could give information on the gene or genes possibly involved in the risk at specific locus.
Rose petal effect: A subtle combination of nano‐scale roughness and chemical variability
Authors: Almonte Lisa , Pimentel Carlos , Rodríguez‐Cañas Enrique , Abad José , Fernández Victoria , Colchero Jaime
Published: November 2021

Rose petals may involve high water contact angles together with drop adhesion which are antagonistic wetting properties. Petal surfaces have a cuticle which is generally considered a continuous, hydrophobic lipid coating. The peculiar properties of rose petals are not fully understood and have been associated with high surface roughness at different scales. Here, the chemical and structural features of natural upper and lower petal surfaces are analyzed by atomic force microscopy (AFM). Both rose petal surfaces are statistically equivalent and have very high roughness at all scales from 5 nm to 10 μm. At the nanoscale, surfaces are fractal‐like with an extreme fractal dimension close to df = 2.5. A major nanoscale variability is also observed which leads to large (nanoscale) wettability changes. To model the effect of roughness and chemical variability on wetting properties, a single wetting parameter is introduced. This approach enables to explain the Rose petal effect using a conceptually simple scheme. The described fundamental mechanisms leading to high contact angles together with drop adhesion can be applied to any natural and synthetic surface. Apart from introducing a new approach for characterizing a biological surface, these results can trigger new developments on nanoscale wetting and bio‐inspired functional surfaces.
Islamism in Turkey from a socio‐political aspect: Post‐Islamism oriented approaches
Authors: Aykaç Burhan , Durgun Şenol
Published: November 2021

Because Islamism emerged as a local socio‐political movement in the Turkish modernisation history as an alternative solution to problems in addition to modern ideologies transferred from the West, Islamism has always been a subject of discussion as an important socio‐political movement in Turkish political life. However, this movement that emerged in the early periods of the Turkish modernisation history has gone through significant changes in the process to date. Domestic and foreign developments have had an important effect on these changes. Until recently, Islamism claimed to be an alternative to Western political understanding and civilisation, but as a result of being in power lately, it has sought to have a part in the system and to Islamise modernity. This situation constitutes the most important change the Islamic movement has gone through to date. This situation, that is, the transition from being an alternative to being within the system, has brought along debates about whether this can be considered as the end of the Islamic movement, or whether the emerging new situation represents a post‐Islamist period. The purpose of this article is to investigate whether the current era of Turkish Islamism indicates a post‐Islamist era considering the social and political changes it has undergone from its start to the present day, and to examine the main characteristics of this new era.
Study on Improving Low‐Temperature Mechanical Properties of Nitroguanidine Propellant by Triethanolamine
Authors: Xu Bin , Zhu Deng‐pan , Liu Zhi‐tao , Liao Xin
Published: November 2021

Nitroguanidine (NQ) is one of the most popular ingredients in propellant formula, and always contributes a high weight content due to its outstanding capability in flame temperature controlling. But the mechanical properties of these NQ propellants are usually not good, especially at low temperatures. In order to improve the low‐temperature mechanical properties of the NQ propellant, triethanolamine (TEA) is used to coat NQ before propellant manufacturing. Infrared spectra show that TEA forms hydrogen bond with NQ, and the mechanical properties of the corresponding propellant at low temperatures are improved. Compared with the original NQ propellant, the anti‐impact strength, the compressive resistance and the extension strength of the modified propellant are raised by 44.6 %, 20.6 % and 7.1 % at −40°C, respectively. The low‐temperature maximum burning rate and maximum pressure of TEA‐coated NQ propellant obtained from closed bomb test are 29.6 % and 4.06 % lower than those of the original propellant, which can be attributed to the changes in the combustion process caused by TEA. No accidental combustion occurred during the entire combustion process, indicating that TEA can be considered to improve the low‐temperature mechanical properties of NQ propellant.
Optimized Selective‐Area p‐Type Diffusion for the Back‐Illuminated Planar InGaAs/InP Avalanche Photodiodes by a Single Diffusion Process
Authors: Chen Yiren , Zhang Zhiwei , Miao Guoqing , Jiang Hong , Song Hang
Published: November 2021

Herein, an alternative approach of selective‐area zinc diffusion technique by single rapid thermal diffusion (RTD) using a Zn3P2/Zn/SiO2 multilayer structure is proposed to realize p‐type doping in the InP cap so as to fabricate planar InGaAs/InP avalanche photodiodes (APDs). Through the optimization of selective‐area zinc diffusion in the InP cap, a low dark current, high responsivity, fast transient response, and high reliability near‐infrared back‐illuminated planar InGaAs/InP APD is obtained, which demonstrates a simple and efficient method for the development of high‐performance planar InGaAs/InP APD focal plane arrays.
A Study of Thermoelectric Performance of TlGaSe2 Layered Dichalcogenides from First‐Principles Calculations: Vacancy Defects Modeling and Engineering
Authors: Çaydaşı Murat , Mintaş Mehmet Fatih , Chumakov Yurii M. , Volz Sebastian , Cengiz Asuman , Seyidov MirHasan Yu.
Published: November 2021

Herein, the thermoelectric performance of ternary layered dichalcogenides is evaluated by applying ab initio density functional theory calculations combined with Boltzmann's transport equation. A novel approach to design the intrinsic structural defects via Se‐anion vacancies in unit cell has been developed. Two kinds of ‐vacancy defects in host crystal lattice are engineered: the single vacancy defect induced intrinsically in the unit cell () and in the supercell lattice (). It is found that the electrical transport properties and thermoelectric efficiency of this semiconductor could be significantly altered by introducing Se‐vacancy states into crystalline structure. In addition, simulation shows that inclusion of Se‐vacancy defects significantly improves the thermoelectric efficiency as well as the thermoelectric power factor and figure of merit () values of this compound. Additionally, the thermoelectric performance of is estimated by means of the electronic fitness function calculations in the valence and conduction edges. The results demonstrate that with introduced ‐vacancies may be a perspective material for thermoelectric applications.