bluuebunny/crossref_metadata_2025 huggingface dataset:
Potential Mechanisms of Methylglyoxal‐Induced Human Embryonic Kidney Cells Damage: Regulation of Oxidative Stress, DNA Damage, and Apoptosis
Authors: Liu Dan , Cheng Ye , Tang Zhipeng , Chen Junliang , Xia Ying , Xu Chengbin , Cao Xiangyu
Published: December 2021

Methylglyoxal (MGO) is a reactive carbonyl species that can cause cellular damage and is closely related to kidney disease, especially diabetic nephropathy. The toxic effect of MGO (0.5, 1, and 2 mM) on human embryonic kidney (HEK293) cells and its underlying mechanisms were explored in this study. Cell viability, apoptosis and the signaling pathways were measured with MTT, fluorescent staining and western blot experiments, the results showed that MGO could induce oxidative stress and cell inflammation, the level of reactive oxygen species (ROS) increased, and p38MAPK, JNK and NF‐κB signaling pathways were activated. Meanwhile, MGO also induced DNA damage. The expression of DNA oxidative damage marker 8‐hydroxy‐2’‐deoxyguanosine (8‐OHdG) increased, the expression of double‐strand break marker γH2AX increased significantly, and ATM/Chk2/p53 DNA damage response signaling pathway was activated. Furthermore, the expression of the receptor for advanced glycation end products (RAGE) also increased. Finally, mitochondrial membrane potential (MMP) decreased, fluorescence intensity of Hoechst33258 increased, and the protein expression ratio of Bax/Bcl‐2 increased significantly after the treatment of MGO. These results demonstrated that MGO might induce HEK293 cells damage by regulating oxidative stress, inflammation, DNA damage, and cell apoptosis, which revealed the specific mechanisms of MGO‐induced damage to HEK293 cells.
Dose‐Dependent Effect of Wedelia trilobata Essential Oil (EO) on Lettuce (Lactuca sativa L.) with Multivariate Analysis
Authors: Azlan Azizan Kamalrul , Izzairy Zamani Arief , Azlan Nor Muhammad Nor , Khairudin Khairunisa , Yusoff Nornasuha , Firdaus Nawawi Mohamad
Published: December 2021

Understanding metabolite changes and underlying metabolic pathways that may be affected in target plants following essential oils (EOs) exposure is of great importance. In this study, a gas chromatography‐mass spectrometry (GC/MS) based metabolomics approach was used to determine the metabolite changes in lettuce (Lactuca sativa L.) shoot and root after exposure to different concentrations of W. trilobata EO. Multivariate analyses of principal component analysis (PCA) and orthogonal partial least‐discriminant analysis (OPLS‐DA) corroborated that shoot and root of lettuce responded differently to W. trilobata EO. In EO‐exposed shoot samples, an increase in the levels of malic acid, glutamine, serine, lactose and α‐glucopyranose affected important metabolism pathways such as glycolysis, fructose and mannose metabolism and galactose metabolism. The findings suggest that lettuce may be up‐regulating these metabolites to increase tolerance against W. trilobata EO. In EO‐exposed root samples, changes in fatty acid biosynthesis, elongation, degradation, phenylalanine, tyrosine and tryptophan metabolism were linked to a decrease in lyxose, palmitic acid, octadecanoic acid, aspartic acid, phenylalanine and myo‐inositol. These results indicate that W. trilobata EO could cause alterations in fatty acid compositions and lead to inhibition of roots growth. Together, these findings provide insight into the metabolic responses of lettuce upon W. trilobata EO exposure, as well as potential mechanisms of action of W. trilobata EO as bio‐herbicides.
Complete revascularization optimizes patient outcomes in multivessel coronary artery disease: Data from the e‐Ultimaster registry
Authors: Williams Timothy , Mittal Aaina , Karageorgiev Dimitar , Iniguez Romo Andres , Aminian Adel , Fernandez Portalese Javier , Kharrat Elyes , Gómez‐Hospital Joan Antoni , Firman Doni , Trillo Nouche Ramiro , Hildick‐Smith David ,   e‐Ultimaster investigators
Published: December 2021

Objectives

The aim of this analysis was to assess the effect of the coronary revascularization strategy during index admission on clinical outcomes among patients undergoing percutaneous coronary intervention (PCI) with multivessel coronary artery disease (MVD).

Background

The value of complete revascularization (CR) over incomplete revascularization (IR) in MVD patients is not fully established.

Methods

Patients with MVD defined as ≥2 major epicardial vessels with ≥50% stenosis were selected from the observational all‐comer e‐Ultimaster registry. Patients were treated with a sirolimus‐eluting thin‐strut coronary stent. Completeness of revascularization was physician assessed at the index procedure or an eventually staged procedure during the index hospitalization. Outcomes measures at 1 year were target lesion failure (TLF) (composite of cardiac death, target vessel‐related myocardial infarction [MI], and clinically driven target lesion revascularization [TLR]), and patient‐oriented composite endpoint (POCE) (all‐cause mortality, MI, or revascularization). The inverse probability of treatment weights (IPTW) methodology was used to perform a matched analysis.

Results

The registry recruited 37,198 patients of whom 15,441 (41.5%) had MVD. CR on hospital discharge was achieved in 7413 (48.0%) patients and IR in 8028 (52.0%) patients. Mean age was 64.6 ± 11.1 versus 65.7 ± 11.0 years (p < 0.01), male gender 77.9% and 77.3% (p = 0.41) and diabetes 31.3% versus 33.4% (p = 0.01) for CR and IR, respectively. Chronic stable angina patients more commonly underwent CR (47.6% vs. 36.8%, p < 0.01). After propensity weighted analysis, 90.5% of CR patients were angina‐free at 1 year compared with 87.5% of IR patients (p < 0.01). TLF (3.3% vs. 4.4%; p < 0.01), POCE (6.8% vs. 10.8%; p < .01), and all‐cause mortality (2.3% vs. 3.1%; p < .01) were all lower in CR patients.

Conclusions

A physician‐directed use of a CR strategy utilizing sirolimus‐eluting thin‐strut stent results in optimized clinical outcomes and less angina in an all‐comer population. Our findings suggest that a CR should be aimed for.
Two‐year outcomes between ST‐elevation and non‐ST‐elevation myocardial infarction in patients with chronic kidney disease undergoing newer‐generation drug‐eluting stent implantation
Authors: Kim Yong Hoon , Her Ae‐Young , Jeong Myung Ho , Kim Byeong‐Keuk , Hong Sung‐Jin , Lee Seung‐Jun , Ahn Chul‐Min , Kim Jung‐Sun , Ko Young‐Guk , Choi Donghoon , Hong Myeong‐Ki , Jang Yangsoo
Published: December 2021

Background

We evaluated the 2‐year clinical outcomes of ST‐elevation myocardial infarction (STEMI) and non‐STEMI (NSTEMI) in patients with chronic kidney disease (CKD) who received newer‐generation drug‐eluting stents (DES).

Methods

Overall, 18,875 acute myocardial infarction patients were divided into two groups: CKD (STEMI, n = 1707; NSTEMI, n = 1648) and non‐CKD (STEMI, n = 8660; NSTEMI, n = 6860). The occurrence of major adverse cardiac events (MACE), defined as all‐cause death, recurrent myocardial infarction (re‐MI), any repeat coronary revascularization, and definite or probable stent thrombosis (ST), was evaluated.

Results

After multivariable‐adjusted analysis, in the CKD group, the MACE (adjusted hazard ratio [aHR]: 1.365, p = 0.004), all‐cause death (aHR: 1.503, p = 0.004), noncardiac death (non‐CD; aHR: 1.960, p = 0.004), and all‐cause death or MI rates (aHR: 1.458, p = 0.002) were significantly higher in the NSTEMI group than in the STEMI group. In the non‐CKD group, the non‐CD rate (aHR: 1.78, p = 0.006) was also higher in the NSTEMI group. The CD, re‐MI, any repeat revascularization, and ST rates were similar between groups. In the CKD group, from 6 months to 2 years after the index procedure, all‐cause death, non‐CD, and all‐cause death or MI rates were significantly higher in the NSTEMI group than in the STEMI group. These results may be related to the higher non‐CD rate in the NSTEMI group.

Conclusions

In the era of contemporary newer‐generation DES, NSTEMI showed a relatively higher non‐CD rate than STEMI in both CKD and non‐CKD groups.
Cathode Materials for Rechargeable Lithium‐Sulfur Batteries: Current Progress and Future Prospects
Authors: Dong Shihong , Liu Hongji , Hu Yingzhen , Chong Shaokun
Published: December 2021

Lithium‐sulfur (Li‐S) batteries are considered one of the most competitive candidates for the next generation of energy storage devices due to the high theoretical specific capacity and energy density of the sulfur cathode, the abundant resource reserves, and environmental friendliness. However, the S cathode still faces many challenges, such as large volume expansion, low conductivity, and the “shuttle effect” caused by the dissolution and migration of polysulfides. Studies on the cathode are mainly focused on the construction of novel S‐based composites to alleviate the problems mentioned above via physical protection, chemical integration, and electrocatalysts, including S/C, S/metal compounds, and S/conductive polymers. In this Review, the remaining challenges and possible solutions existing in S cathodes are summarized, and the current research progress on various materials design and electrochemical performances improvement are discussed. The future development trend is also proposed.
Synthesis and Applications of SAPO‐34 Molecular Sieves
Authors: Yu Wenhe , Wu Xiaowen , Cheng Bohao , Tao Tianyi , Min Xin , Mi Ruiyu , Huang Zhaohui , Fang Minghao , Liu Yangai
Published: December 2021

Silicoaluminophosphate zeolite (SAPO‐34) has been attracting increasing attention due to its excellent form selection and controllability in the chemical industry, as well as being one of the best industrial catalysts for methanol‐to‐olefin (MTO) reaction conversion. However, as a microporous molecular sieve, SAPO‐34 easily generates carbon deposition and rapidly becomes inactivated. Therefore, it is necessary to reduce the crystal size of the zeolite or to introduce secondary macropores into the zeolite crystal to form a hierarchical structure in order to improve the catalytic effect. In this review, the synthesis methods of conventional SAPO‐34 molecular sieves, hierarchical SAPO‐34 molecular sieves and nanosized SAPO‐34 molecular sieves are introduced, and the properties of the synthesized SAPO‐34 molecular sieves are described, including the phase, morphology, pore structure, acid source, and catalytic performance, in particular with respect to the synthesis of hierarchical SAPO‐34 molecular sieves. We hope that the review can provide guidance to the preparation of the SAPO‐34 catalysts, and stimulate the future development of high‐performance hierarchical SAPO‐34 catalysts to meet the growing demands of the material and chemical industries.
Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)
Authors: Shu Shan , Huang Junben , Hu Chenhui , Pan Shilie , Yang Zhihua
Published: December 2021

The enhancement mechanism of birefringence is very important to modulate optical anisotropy and materials design. Herein, the different cations extending from alkaline‐earth to alkaline‐earth, d10 electron configuration, and 6s2 lone pair cations are highlighted to explore the influence on the birefringence. A flexible fluorooxoborate framework from AEB4O6F2 (AE=Ca, Sr) is adopted for UV/deep‐UV birefringent structures, namely, MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd). The maximal enhancement on birefringence can reach 46.6 % with the cation substitution from Ca, Sr to Be, Mg (route‐I), Pb (route‐II), and Zn, Cd (route‐III). The influence of the cation size, the stereochemically active lone pair, and the binding capability of metal cation polyhedra is investigated for the hierarchical improvement on birefringence. Significantly, the BeB4O6F2 structure features the shortest UV cutoff edge 146 nm among the available anhydrous beryllium borates with birefringence over 0.1 at 1064 nm, and the PbB4O6F2 structure has the shortest UV cutoff edge 194 nm within the reported anhydrous lead borates that hold birefringence larger than 0.1 at 1064 nm. This work sheds light on how metal cation polyhedra modulate birefringence, which suggests a credible design strategy to obtain desirable birefringent structures by cation control.
Solid‐State NMR‐Driven Crystal Structure Prediction of Molecular Crystals: The Case of Mebendazole
Authors: Bravetti Federica , Bordignon Simone , Alig Edith , Eisenbeil Daniel , Fink Lothar , Nervi Carlo , Gobetto Roberto , Schmidt Martin U. , Chierotti Michele R.
Published: December 2021

Among all possible NMR crystallography approaches for crystal‐structure determination, crystal structure prediction – NMR crystallography (CSP‐NMRX) has recently turned out to be a powerful method. In the latter, the original procedure exploited solid‐state NMR (SSNMR) information during the final steps of the prediction. In particular, it used the comparison of computed and experimental chemical shifts for the selection of the correct crystal packing. Still, the prediction procedure, generally carried out with DFT methods, may require important computational resources and be quite time‐consuming, especially if there are no available constraints to use at the initial stage. Herein, the successful application of this combined prediction method, which exploits NMR information also in the input step to reduce the search space of the predictive algorithm, is presented. Herein, this method was applied on mebendazole, which is characterized by desmotropism. The use of SSNMR data as constraints for the selection of the right tautomer and the determination of the number of independent molecules in the unit cell led to a considerably faster process, reducing the number of calculations to be performed. In this way, the crystal packing was successfully predicted for the three known phases of mebendazole. To evaluate the quality of the predicted structures, these were compared to the experimental ones. The crystal structure of phase B of mebendazole, in particular, was determined de novo by powder diffraction and is presented for the first time in this paper.
Cyanide‐Free Cyanation of sp2 and sp‐Carbon Atoms by an Oxazole‐Based Masked CN Source Using Flow Microreactors
Authors: Sharma Brijesh M. , Nikam Arun V. , Lahore Santosh , Ahn Gwang‐Noh , Kim Dong‐Pyo
Published: December 2021

This work reports a cyanide‐free continuous‐flow process for cyanation of sp2 and sp carbons to synthesize aryl, vinyl and acetylenic nitriles from (5‐methyl‐2‐phenyloxazol‐4‐yl) boronic acid [OxBA] reagent as a sole source of carbon‐bound masked −CN source. Non‐toxic and stable OxBA reagent is generated by lithiation‐borylation of bromo‐oxazole, and the consecutive Suzuki‐Miyaura cross‐coupling with aryl, vinyl, or acetylenic halides and demasking [4+2]/retro‐[4+2] sequence were successfully accomplished to give the desired cyano compounds with reasonably good yields in a four‐step flow manner. A unique feature of this cyanation protocol in flow enables to cyanate a variety of sp2 and sp carbons to produce a broad spectrum of aryl acetonitrile. It is envisaged that the OxBA based cyanation would replace existing unstable and toxic approaches as well as non‐toxic cyanation using two different sources of “C” and “N” to incorporate the −CN group.
Selective Encapsulation and Unusual Stabilization of cis‐Isomers by a Spherical Polyaromatic Cavity
Authors: Yuasa Mana , Sumida Ryuki , Tanaka Yuya , Yoshizawa Michito
Published: December 2021

To explore new cavity functions, we herein employed cis‐trans stereoisomers with a N=N, C=C, or C=N unit as guest indicators for a polyaromatic capsule. Thanks to the rigid, spherical cavity with a diameter of ∼1 nm, azobenzene and stilbene derivatives are quantitatively encapsulated by the capsule with 100 % cis‐selectivity in water. The isomerization of the cis‐azo compound is suppressed against heat and light in the cavity, due to the confinement effect. Furthermore, C,N‐diphenyl imine derivatives are quantitatively encapsulated by the capsule in water and adopt an otherwise unstable cis‐form. The polyaromatic cavity suppresses the hydrolysis of the imines in water, even at elevated temperature, due to the shielding effect. Accordingly, the properties of the cis‐trans isomers could be largely altered through supramolecular manipulation.
Asymmetric Catalytic Assembly of Triple‐Columned and Multilayered Chiral Folding Polymers Showing Aggregation‐Induced Emission (AIE)
Authors: Wang Jia‐Yin , Tang Yao , Wu Guan‐Zhao , Zhang Sai , Rouh Hossein , Jin Shengzhou , Xu Ting , Wang Yu , Unruh Daniel , Surowiec Kazimierz , Ma Yanzhang , Li Yunze , Katz Courtney , Liang Hongjun , Cong Weilong , Li Guigen
Published: December 2021

Unprecedented chiral multilayer folding 3D polymers have been assembled and regulated by uniform and differentiated aromatic chromophore units between naphthyl piers. Screening catalysts, catalytic systems and monomers were proven to be crucial for asymmetric catalytic Suzuki–Miyaura polycouplings for this assembly. X‐ray crystallography of the corresponding dimers and trimers revealed the absolute configuration and the intermolecular packing pattern. Up to 61 960 Mw/41 900 Mn and m/z 4317 for polymers and oligomers, as confirmed by gel permeation chromatography (GPC) and MALDI‐TOF MS, indicated that these frameworks were composed of multiple stacked layers. The resulting multiple π‐assemblies exhibited remarkable optical properties in aggregated states (photoluminescence in solids and aggregation‐induced emission in solutions), as well as reversible redox properties in electrochemical performance.
The effect of pharmaceutical nanoparticles and atherosclerosis in aorta artery on the instable blood velocity based on numerical method
Authors: Motaghedifar Mohammad Reza , Fakhar Ahmad , Tabatabaei Hamidreza , Mazochi Majid
Published: December 2021

In medicine field, dynamic investigation of aorta artery has received attention due to its notable functions and significance upon performance of heart and individual health. Because, aortic injuries cause lethal occurrences having numerous mortality rates. Therefore, more probes, in particular, dynamic response of aorta arteries conveying blood flow containing pharmaceutical nanoparticles is essential. In present research, we attempt to model biomechanically the dynamic instability assessment of aorta arteries with atherosclerosis in tissue matrix conveying blood including pharmaceutical magnetic nanoparticles. Thus, according to classical cylindrical shell theory, the aorta arteries will be considered as elastic cylindrical vessels and symmetric lipid tissue is utilized in order to model atherosclerosis in the artery. Applying magnetic field to nanoparticles results in attraction of lipid tissue in artery. Moreover, the nature of blood flow is regarded non‐Newtonian based on Casson, Carreau, and power law models. Using Hamilton's principle, the motion equations are derived and based on differential quadrature method, the dynamic instability region of aorta artery is obtained. The influences of different variables such as magnetic field, magnetic nanoparticle's volume percent, combined effects of the tissue, lipid's height and length, and non‐Newtonian models upon dynamic behavior of aorta artery are investigated. According to the results, increase in lipid's height leads to increase in resonance frequency of aorta arteries.
Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies
Authors: Varghese Ann , Chaturvedi Shobhit S. , DiCastri Bella , Mehler Emerald , Fields Gregg B. , Karabencheva‐Christova Tatyana G.
Published: December 2021

Matrix metalloproteinase‐1 (MMP‐1) is a Zn(II) dependent endopeptidase involved in the degradation of collagen, the most abundant structural protein in the extracellular matrix of connective tissues and the human body. Herein we performed a multilevel computational analysis including molecular dynamics (MD), combined quantum mechanics/molecular mechanics (QM/MM), and quantum mechanics (QM) calculations to characterize the structure and geometry of the catalytic Zn(II) within the MMP‐1 protein environment in comparison to crystallographic and spectroscopic data. The substrate‘s removal fine‐tuned impact on the conformational dynamics and geometry of the catalytic Zn(II) center was also explored. Finally, the study examined the effect of substituting catalytic Zn(II) by Co(II) on the overall structure and dynamics of the MMP‐1 ⋅ THP complex and specifically, on the geometry of the catalytic metal center. Overall, our QM/MM and QM studies were in good agreement with the MM description of the Zn(II) centers in the MD simulations.
Attrition‐Enhanced Asymmetric Transformation of Axially Chiral Nicotinamides by Dynamic Chiral Salt Formation
Authors: Nakamura Takumi , Ishikawa Hiroki , Ban Kazuma , Yoshida Yasushi , Mino Takashi , Kasashima Yoshio , Sakamoto Masami
Published: December 2021

Atroposelective resolution for axially chiral nicotinamides was achieved by dynamic chiral salt formation with L‐DBTA using six types of nicotinamides that could not be optically resolved by the preferential crystallization method. Kinetic studies of their racemization indicated that the chiral conformation was retained for a significant period of time. Two methods of crystallization‐induced asymmetric transformation were examined by dynamic diastereomeric salt formation: solvent evaporation from a supersaturated solution, and attrition‐enhanced asymmetric transformation. The attrition method was more effective for asymmetric amplification of diastereomeric salts of axially chiral materials. Attrition of equimolar amount of the nicotinamide salts with L‐DBTA converged to one diastereomer salts, and the corresponding enantiomers in 87–99 % ee were obtained after the chiral acid was removed. Changing the ratio of two of the nicotinamides with L‐DBTA to 1 : 2 inverted the axial chirality.
Broadband reduction of phase noise in a spatially extended tunnel‐diode oscillator through multiple self‐injection locking
Authors: Narahara Koichi
Published: December 2021

A self‐injection locking scheme is proposed to reduce phase noise in a spatially extended oscillator that uses a tunnel‐diode (TD) transmission line. When a linear transmission line is connected to each cell of the TD line, a part of the oscillating edge flows through the linear line. This wave on the linear line is reflected at its far end and flows back to the point of connection of the TD and linear transmission lines. By matching the time taken by the reflected wave on the linear transmission line to reach the point of connection with the time taken by the forward‐moving oscillating edge to return to the point, the edge can be synchronized with the wave that flows back through each linear line. This multiple self‐injection locking significantly reduces the phase noise of the oscillating edge. In this work, the technique of phase noise reduction is explained through numerical phase noise analysis using the perturbation projection vector of the system. Several experimental observations were made to validate the reduction of the phase noise in the oscillating edge traveling on the TD line.
Recent Advances on Polyoxometalate‐Based Ion‐Conducting Electrolytes for Energy‐Related Devices
Authors: Cheng Dongming , Li Ke , Zang Hongying , Chen Jiajia
Published: December 2021

Solid‐state electrolytes have attracted considerable attention in new energy‐related devices due to their high safety and broad application platform. Polyoxometalates (POMs) are a kind of molecular‐level cluster compounds with unique structures. In recent years, owing to their abundant physicochemical properties (including high ionic conductivity and reversible redox activity), POMs have shown great potential in becoming a new generation of solid‐state electrolytes. In this review, an overview is investigated about how POMs have evolved as ion‐conducting materials from basic research to novel solid‐state electrolytes in energy devices. First, some expressive POM‐based ion‐conducting materials in recent years are introduced and classified, mainly inspecting their structural and functional relationship. After that, it is further focused on the application of these ion‐conducting electrolytes in the fields of proton exchange membranes, supercapacitors, and ion batteries. In addition, some properties of POMs (such as inherent dimension, capable of forming stable hydrogen bonds, and reversible bonding to water molecules) enable these functional POM‐based electrolytes to be employed in innovative applications such as ion selection, humidity sensing, and smart materials. Finally, some fundamental recommendations are given on the current opportunities and challenges of POM‐based ion‐conducting electrolytes.
A comprehensive characterization of acute heart failure with preserved versus mildly reduced versus reduced ejection fraction – insights from the ESC‐HFA EORP Heart Failure Long‐Term Registry
Authors: Kapłon‐Cieślicka Agnieszka , Benson Lina , Chioncel Ovidiu , Crespo‐Leiro Maria G. , Coats Andrew J.S. , Anker Stefan D. , Filippatos Gerasimos , Ruschitzka Frank , Hage Camilla , Drożdż Jarosław , Seferovic Petar , Rosano Giuseppe M.C. , Piepoli Massimo , Mebazaa Alexandre , McDonagh Theresa , Lainscak Mitja , Savarese Gianluigi , Ferrari Roberto , Maggioni Aldo P. , Lund Lars H. ,   on behalf of the Heart Failure Association (HFA) of the European Society of Cardiology (ESC) and the ESC Heart Failure Long‐Term Registry Investigators
Published: December 2021

Aims

To perform a comprehensive characterization of acute heart failure (AHF) with preserved (HFpEF), versus mildly reduced (HFmrEF) versus reduced ejection fraction (HFrEF).

Methods and results

Of 5951 participants in the ESC HF Long‐Term Registry hospitalized for AHF (acute coronary syndromes excluded), 29% had HFpEF, 18% HFmrEF, and 53% HFrEF. Hospitalization reasons were most commonly atrial fibrillation (more in HFmrEF and HFpEF), followed by ischaemia (HFmrEF), infection (HFmrEF and HFpEF), worsening renal function (HFrEF), and uncontrolled hypertension (HFmrEF and HFpEF). Hospitalization characteristics included lower blood pressure, more oedema and higher natriuretic peptides with lower ejection fraction, similar pulmonary congestion, more mitral regurgitation in HFrEF and HFmrEF and more tricuspid regurgitation in HFrEF. In‐hospital mortality was 3.4% in HFrEF, 2.1% in HFmrEF and 2.2% in HFpEF. Intravenous diuretic (∼80%) and nitrate (∼15%) use was similar but inotrope use greater in HFrEF (16%, vs. HFmrEF 7.4% vs. HFpEF 5.3%). Weight loss and estimated glomerular filtration rate improvement were greater in HFrEF, whereas reduction in natriuretic peptides was similar. Over 1 year post‐discharge, events per 100 patient‐years (95% confidence interval) in HFrEF versus HFmrEF versus HFpEF were: all‐cause death 22 (20–24) versus 17 (14–20) versus 17 (15–20); cardiovascular (CV) death 12 (10–13) versus 8.6 (6.6–11) versus 8.4 (6.9–10); non‐CV death 2.4 (1.8–3.1) versus 3.3 (2.1–4.8) versus 4.5 (3.5–5.9); all‐cause hospitalization 48 (45–51) versus 35 (31–40) versus 42 (39–46); HF hospitalization 29 (27–32) versus 19 (16–22) versus 17 (15–20); and non‐CV hospitalization 7.7 (6.6–8.9) versus 9.6 (7.5–12) versus 15 (13–17).

Conclusion

In AHF, HFrEF is more severe and has greater in‐hospital mortality. Post‐discharge, HFrEF has greater CV risk, HFpEF greater non‐CV risk, and HFmrEF lower overall risk.
2‐ and 6‐Purinylmagnesium Halides in Dichloromethane: Scope and New Insights into the Solvent Influence on the C−Mg Bond
Authors: Fusi Giovanni M. , Lim Zelong , Lindell Stephen D. , Gomez‐Bengoa Enrique , Gordon Malcolm R. , Gazzola Silvia
Published: December 2021

The generation of positionally stable purin‐2‐ and 6‐yl magnesium halides is complicated by the often very rapid isomerization to give the 8‐yl Grignards. By conducting the reaction in dichloromethane (DCM), we demonstrated that the anion isomerization can be stopped and these stable purin‐2‐ and 6‐yl Grignards react directly with a broad scope of aldehydes in good yields. Furthermore, purine functionalization with ketones has been achieved for the first time in the presence of LaCl3 ⋅ 2LiCl. Density functional theory calculations offer a possible explanation of the special role played by solvent in this chemistry and show that in DCM the C−Mg bond has a less polar character, whereas in THF it is predominantly ionic and much more basic in nature.
Metal‐Free Cascade Annulation Approach for Modular Assembly of Alkynyl/Benzoyl Functionalized Quinolines
Authors: Tang Qiang , Yuan Meng , Duan Jiahui , Xu Keke , Li Ruxue , Xie Mengqing , Kong Shuwen , He Xinwei , Shang Yongjia
Published: December 2021

A concise and efficient synthetic method for alkynyl quinolines through TfOH‐promoted cascade 1,4‐conjugate addition/intramolecular annulation/aromatization process is established. By virtue of reactive aza‐o‐AQM (in situ generated from modular propargylamine), this reaction proceeds smoothly to afford a variety of alkynyl quinolines in good to excellent yields. This transition‐metal‐free process features halogen groups tolerance, such as the −Cl, −Br, and −I groups; thus, this protocol circumvents the inherent shortcomings of the existing Sonogashira coupling of halogenated quinolines.
Organocatalytic Asymmetric Double Addition of Kojic Acids to 2‐Nitroallylic Carbonates
Authors: Kovalevsky Ruslan A. , Smirnov Maxim V. , Kucherenko Alexander S. , Bykova Kseniya A. , Shikina Elizaveta V. , Zlotin Sergei G.
Published: December 2021

2‐Nitroallylic carbonates were first applied as promising bis‐electrophilic C3 synthons for bifunctional squaramide catalyzed asymmetric domino reaction with kojic acid derivatives to afford so far inaccessible nitro compounds bearing two hydroxypyranone units. The reaction products undergo non‐catalytic epimerization at the carbon atom next to the nitro group. Plausible mechanism of the epimerization based on reversible formation of intermediate aci‐nitro compound is proposed. The double addition products were transformed to configurationally stable acetates and to chiral nitro glutarates, promising precursors to chiral amino glutaric acid derivatives.
Recent advances of energy storage technologies for grid: A comprehensive review
Authors: Rahman Md. Arafat , Kim Jin‐Hyuk , Hossain Shakhawat
Published: December 2021

Energy storage is an idea that dates back over two thousand years. Engineers, investors, and politicians are increasingly researching energy storage solutions in response to growing concerns about fossil fuels' environmental effects as well as the capacity and reliability of global power systems. Various energy storage technologies are explored in depth in this study, with a focus on their application to the energy storage of electric grids. Specific consideration is paid to a few chosen technologies including flywheel energy storage, pumped hydro energy storage, compressed air energy storage, thermal energy storage in molten salt, hydrogen energy storage, battery energy storages, and capacitor and supercapacitor energy storage. Furthermore, this article delves into the concept of energy storage, focusing on a comprehensive examination of various deployments of these technologies around the world. Some of the barriers to commercial adoption of energy storage technologies, as well as the future, are covered in the article’s conclusion.
3D‐printed microneedles with open groove channels for liquid extraction
Authors: Leng Fang , Zheng Mengjia , Xu Chenjie
Published: December 2021

Microneedles (MNs) offer a simple and minimally invasive way to sample skin interstitial fluid for bioanalysis. Through the integration with portable or wearable sensing devices, it allows us to get qualitative information about some biomarkers in situ. This work is to show a MN platform with open groove channels that are manufactured using photopolymerization 3D printing. The grooves on the needle surface permit that liquid flows from the tips to the base under the influence of capillary force. The ultimate MN device can penetrate skin and tissues and sample liquid in the skin model. By taking the glucose as the model biomarker, we demonstrate that the biomarkers in the extracted liquid can be analyzed in situ by the commercial test strips attached to the back.
Effects of different phosphorus‐free water‐retaining agents on the quality of frozen tilapia fillets
Authors: Li Min , Luo Jing , Zhang Ying , Zhang Ke , Guan Zhi Qiang , Ling Chang Ming
Published: December 2021

Tilapia is an economically important fish worldwide, but its quality is affected by storage practices. To improve the quality of tilapia fillets during frozen storage, we examined the effect of pretreatment with various combinations of different concentrations of trehalose, potassium bicarbonate, and chitosan. Following pretreatment, we analyzed the tilapia fillets using quality indicators, including soaking weight gain, coating weight gain, water‐holding capacity, thawing loss, pH, Ca2+‐ATPase activity, and texture characteristics. Water distribution was analyzed using low‐field nuclear magnetic resonance and the optimal combination of water‐retaining agents was obtained using an L8(27) orthogonal experiment. The results showed that trehalose, potassium bicarbonate, and chitosan improved fillet quality at pretreatment concentrations of 5%–8%, 1.0%, and 0.5%, respectively. The optimal combination was 4% trehalose plus 1.2% potassium bicarbonate plus 0.2% chitosan. The Ca2+‐ATPase activity and mastication property of the frozen fillets that were pretreated with the optimized formulation were 1.39 μmol Pi/mg protein·h and 8.55 mJ, respectively, which were 43.3% and 80.0% greater, respectively, than that of the control group. Using a suitable concentration and combination of water‐retaining agents cannot only lock‐in the internal water content of frozen tilapia fillets but also improve their quality during frozen storage. These results can inform practical storage practices of similar aquatic products.
Influence of cooking process on the content of water‐soluble B vitamins in rice marketed in Iran
Authors: Rezaei Mohammad , Alizadeh Sani Mahmood , Amini Mohsen , Shariatifar Nabi , Alikord Mahsa , Arabameri Majid , Chalipour Anita , Hazrati Reziabad Reza
Published: December 2021

The aim of this study was to analyze the effect of cooking method on thiamin (B1), riboflavin (B2), and pyridoxine (B6) vitamin content of rice samples consumed in Iran by using high‐performance liquid chromatography technique. The amount of B1, B2, and B6 obtained ranged from 2.98 to 15.89, 1.15 to 22.19, and 0.96 to 4.44 μg/g, respectively, for the boiling method. In the traditional method, these vitamins had a concentration between 4.09 and 29.55, 4.87 and 16.19, and 1.52 and 12.18 μg/g, respectively. However, limit of detection (LOD) values for B1, B2, and B6 vitamins were 0.159, 0.090, and 0.041 μg/ml, respectively. Multivariate methods and heatmap visualization were applied to estimate the correlation among the type and amount of vitamins and cooking methods. According to heatmap findings, B1 and B6 vitamins and the cooking method had the closest accessions, representing that this variable had similar trends. Nevertheless, it can be concluded that the traditional cooking method can maintain more vitamins in rice samples.
Plasma 5‐HIAA activity indicative of serotonergic disturbances in cognitively impaired, elderly patients experiencing postoperative delirium
Authors: Heylen Annelies , Vermeiren Yannick , De Rooij Sophia E. , Scholtens Rikie M. , Van Munster Barbara C. , Van Dam Debby , De Deyn Peter P.
Published: December 2021

Objectives

Delirium frequently arises in older demented and non‐demented patients in postoperative, clinical settings. To date, the underlying pathophysiological mechanisms remain poorly understood. Monoamine neurotransmitter alterations have been linked to delirium and cognitive impairment. Our aim was to investigate if this holds true in cognitively normal and impaired patients experiencing delirium following hip surgery.

Methods

Monoamines and metabolites were measured in plasma samples of 181 individuals by means of reversed‐phase ultra‐high‐performance liquid chromatography with electrochemical detection. Delirium and delirium severity were scored with the Confusion Assessment Method and Delirium Rating Scale‐Revised‐1998. Cognitive function was assessed using the Informant Questionnaire on Cognitive Decline and the Mini‐Mental State Examination, multimorbidity with the Charlson Comorbidity Index.

Results

Plasma 5‐hydroxyindoleacetic acid (5‐HIAA), the major metabolite of serotonin (5‐HT), was significantly higher in delirious and non‐delirious cognitively impaired subjects as compared to control individuals without delirium and cognitive impairment (p < 0.001 andp = 0.007), which remained highly significant after excluding patients taking psychotropic medication (p < 0.0001 andp = 0.003). No significant differences were found for cognitively normal delirious patients, although serotonergic levels were numerically higher compared to control counterparts.

Conclusions

Our findings indicate a general serotonergic disturbance in delirious and non‐delirious postoperative patients suffering from cognitive impairment. We observed a similar, but less pronounced difference in delirious patients, which suggests serotonergic disturbances may be further aggravated by the co‐occurrence of delirium and cognitive impairment.
Fear of COVID‐19 contagion and consumption: Evidence from a survey of Italian households
Authors: Immordino Giovanni , Jappelli Tullio , Oliviero Tommaso , Zazzaro Alberto
Published: December 2021

Using a new survey of Italian households, we study the effect of fear of COVID‐19 contagion and income risk on consumption. The survey elicits individual‐level indicators of fear of contagion, distinguishing between worries while working, shopping, traveling, eating out and meeting relatives or friends. We find that the probabilities of consumption drops and increased saving after the pandemics are positively associated to fear of contagion, particularly while shopping. Income uncertainty also contributes to savings increase and consumption drop. Our findings suggest that fear of contagion and income risk limits the effectiveness of policies aimed at stimulating consumption during the pandemic.
Serum Proteomics Uncovers Biomarkers of Clinical Portal Hypertension in Children With Biliary Atresia
Authors: Osborn Julie , Mourya Reena , Thanekar Unmesha , Su Weizhe , Fei Lin , Shivakumar Pranavkumar , Bezerra Jorge A.
Published: December 2021

Children with biliary atresia (BA) often develop portal hypertension (PHT) and its complications, which are associated with high morbidity and mortality. The goal of this study was to identify serum biomarkers of PHT by using large‐scale proteomics. We applied the slow off‐rate modified aptamer scan (SOMAscan) to measure 1,305 proteins in serum samples of children with BA with and without clinical evidence of PHT in validation and discovery cohorts enrolled in the Biliary Atresia Study of Infants and Children. Serum proteomics data was analyzed using logistic regression to identify protein(s) with an area under the receiver operating characteristic curve (AUROC) ≥ 0.90. Immunostaining was used to characterize the cellular localization of the new biomarker proteins in liver tissues. We identified nine proteins in the discovery cohort (n = 40 subjects) and five proteins in the validation cohort (n = 80 subjects) that individually or in combination predicted clinical PHT with AUROCs ≥ 0.90. Merging the two cohorts, we found that semaphorin 6B (SEMA6B) alone and three other protein combinations (SEMA6B+secreted frizzle protein 3 [SFRP3], SEMA6B+COMM domain containing 7 [COMMD7], and vascular cell adhesion molecule 1 [VCAM1]+BMX nonreceptor tyrosine kinase [BMX]) had AUROCs ≥ 0.90 in both cohorts, with high positive‐ and negative‐predictive values. Immunostaining of the new protein biomarkers showed increased expression in hepatic endothelial cells, cholangiocytes, and immune cells within portal triads in BA livers with clinical PHT compared to healthy livers. Conclusion: Large‐scale proteomics identified SEMA6B, SFRP3, COMMD7, BMX, and VCAM1 as biomarkers highly associated with clinical PHT in BA. The expression of the biomarkers in hepatic epithelial, endothelial, and immune cells support their potential role in the pathophysiology of PHT.
When the Bough Breaks: A systematic review and meta‐analysis of mental health symptoms in mothers of young children during the COVID‐19 pandemic
Authors: Racine Nicole , Eirich Rachel , Cooke Jessica , Zhu Jenney , Pador Paolo , Dunnewold Nicole , Madigan Sheri
Published: December 2021

Parents have experienced considerable challenges and stress during the COVID‐19 pandemic, which may impact their well‐being. This meta‐analysis sought to identify: (1) the prevalence of depression and anxiety in parents of young children (<age 5) during the COVID‐19 pandemic, and (2) sociodemographic (e.g., parent age, being racially minoritized) and methodological moderators (e.g., study quality) that explain heterogeneity among studies. A systematic search was conducted across four databases from January 1, 2020 to March 3, 2021. A total of 18 non‐overlapping studies (8981 participants), all focused on maternal mental health, met inclusion criteria. Random‐effect meta‐analyses were conducted. Pooled prevalence estimates for clinically significant depression and anxiety symptoms for mothers of young children during the COVID‐19 pandemic were 26.9% (95% CI: 21.3–33.4) and 41.9% (95% CI: 26.7–58.8), respectively. Prevalence of clinically elevated depression and anxiety symptoms were higher in Europe and North America and among older mothers. Clinically elevated depressive symptoms were lower in studies with a higher percentage of individuals who were racially minoritized. In comparison, clinically elevated anxiety symptoms were higher among studies of low study quality and in samples with highly educated mothers. Policies and resources targeting improvements in maternal mental health are essential.
The effects of 1,25(OH)2D3 treatment on immune responses and intracellular metabolic pathways of bone marrow‐derived dendritic cells from lean and obese mice
Authors: Cho Da Hye , Lee Ga Young , An Jeong Hee , Han Sung Nim
Published: December 2021

Vitamin D affects differentiation, maturation, and activation of dendritic cells (DCs). Obesity‐related immune dysfunction is associated with metabolic changes in immune cells. Objectives of the study are to investigate the effects of vitamin D and obesity on immune responses and markers related to immunometabolism of bone marrow‐derived dendritic cells (BMDCs). Bone marrow cells (BMCs) were isolated from lean and obese mice, and BMDCs were generated by culturing BMCs with rmGM‐CSF. BMDCs were treated with 1 or 10 nM of 1,25‐dihydroxyvitamin D3 (1,25(OH)2D3), and maturation was induced by LPS (50 ng/ml) stimulation for 24 hr. Cell phenotypes, cytokine productions, and expression of proteins and genes involved in Akt/mTOR signaling pathway and glycolytic pathway were determined. 1,25(OH)2D3 treatment inhibited differentiation of BMDCs (CD11c+ %), expression of phenotypes related with DC function (MHC class II and CD86) and production of IL‐12p70 in both lean and obese mice. The expression of PD‐L1 and the ratio of IL‐10/IL‐12p70 were increased by 1,25(OH)2D3. With 1,25(OH)2D3 treatment, Akt/mTOR signaling pathway was suppressed, and expression of genes related to glycolysis (Glut1, Pfkfb4, and Hif1A) was increased. The upregulation of glycolysis‐related genes observed with 1,25(OH)2D3 treatment seems to be associated with the induction of tolerogenic features of BMDCs from lean and obese mice, and Hif1A seems to have a potential role in conveying the effect of 1,25(OH)2D3 on glycolysis.
Analysis of changes of cavity volumes in predefined directions of protein motions and cavity flexibility
Authors: Barletta German P. , Barletta Matias , Saldaño Tadeo E. , Fernandez‐Alberti Sebastian
Published: December 2021

Dynamics of protein cavities associated with protein fluctuations and conformational plasticity is essential for their biological function. NMR ensembles, molecular dynamics (MD) simulations, and normal mode analysis (NMA) provide appropriate frameworks to explore functionally relevant protein dynamics and cavity changes relationships. Within this context, we have recently developed analysis of null areas (ANA), an efficient method to calculate cavity volumes. ANA is based on a combination of algorithms that guarantees its robustness against numerical differentiations. This is a unique feature with respect to other methods. Herein, we present an updated and improved version that expands it use to quantify changes in cavity features, like volume and flexibility, due to protein structural distortions performed on predefined biologically relevant directions, for example, directions of largest contribution to protein fluctuations (principal component analysis [PCA modes]) obtained by MD simulations or ensembles of NMR structures, collective NMA modes or any other direction of motion associated with specific conformational changes. A web page has been developed where its facilities are explained in detail. First, we show that ANA can be useful to explore gradual changes of cavity volume and flexibility associated with protein ligand binding. Secondly, we perform a comparison study of the extent of variability between protein backbone structural distortions, and changes in cavity volumes and flexibilities evaluated for an ensemble of NMR active and inactive conformers of the epidermal growth factor receptor structures. Finally, we compare changes in size and flexibility between sets of NMR structures for different homologous chains of dynein.
Facile synthesis of zwitterionic surfactant‐assisted molybdenum oxide/reduced graphene oxide nanocomposite with enhanced photocatalytic and antimicrobial activities
Authors: Ishtiaq Aisha , Farrukh Muhammad Akhyar , Rehman Atta ur , Karim Shafqat , Chong Kok‐Keong
Published: December 2021

Reduced graphene oxide (rGO) was synthesized by chemical reduction method and molybdenum oxide (MoO3) was synthesized by sol–gel method, separately. Molybdenum oxide/reduced graphene oxide (MoO3/rGO) nanocomposite was synthesized by sol–gel method followed by sonication method in the presence of zwitterionic surfactant, myristyl sulfobetaine (SB3‐14) at its critical micelle concentration. The optical properties of nanocomposite were studied by calculating the bandgap. The average crystallite size of the nanocomposite was calculated as 22.16 nm using XRD. Direct allowed bandgap of MoO3/rGO nanocomposite was found 3.69 eV and its photocatalytic activity under the irradiation of sunlight showed 97.64% degradation against methylene blue. Antimicrobial activities were also checked against different bacterial strains.