bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractObjectivesThe 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).BackgroundThe value of complete revascularization (CR) over incomplete revascularization (IR) in MVD patients is not fully established.MethodsPatients 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.ResultsThe 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.ConclusionsA 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

AbstractBackgroundWe 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).MethodsOverall, 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.ResultsAfter 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.ConclusionsIn 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

AbstractLithium‐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

AbstractSilicoaluminophosphate 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

AbstractThe 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

AbstractAmong 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

AbstractThis 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

AbstractTo 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

AbstractUnprecedented 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

AbstractIn 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

AbstractMatrix 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

AbstractAtroposelective 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

SummaryA 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.
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

AimsTo perform a comprehensive characterization of acute heart failure (AHF) with preserved (HFpEF), versus mildly reduced (HFmrEF) versus reduced ejection fraction (HFrEF).Methods and resultsOf 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).ConclusionIn 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

AbstractThe 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.