bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interaction of KCNA5, CX43, and CX40 proteins in the atrial muscle of patients with atrial fibrillation
Authors: Wang Keke , Zhao Juntao , Guo Zhikun 
Published: July 2022

AbstractThe objective of the study was to investigate the expression levels of potassium voltage‐gated channel subfamily A member 5 (KCNA5), connexin 43 (Cx43), and connexin 40 (Cx40) in the left atrial appendage of patients with atrial fibrillation (AF) and the interactions between them. We gathered tissue samples from patients with persistent AF and sinus rhythm and used fluorescence quantitative polymerase chain reaction to evaluate messenger RNA (mRNA) changes of KCNA5, Cx43, and Cx40. Then, we studied the protein levels of KCNA5, Cx43, and Cx40 by immunofluorescence and western blot analysis and the interactions between these proteins were identified by immunoprecipitation and immunofluorescence colocation, respectively. Compared with the control group, the mRNA and protein levels of KCNA5, Cx43, and Cx40 in the AF group were decreased and the positive expression of KCNA5, Cx43, and Cx40 protein was also decreased by immunofluorescence staining in the AF group. In addition, immunoprecipitation and immunofluorescence colocation revealed that KCNA5 was coexpressed with Cx43 and Cx40 proteins. The expressions of KCNA5, Cx43, and Cx40 were substantially downregulated in the myocardium of patients with AF and KCNA5 interacted with Cx43 and Cx40 proteins, respectively.
Management of severe low back pain with a focused vibro‐percussion wave treatment: A case report
Authors: Alsalamah Norah M. , Bartel Lee 
Published: July 2022

AbstractA 49‐year‐old male with severe low back pain (LBP) showed multilevel disc bulges with spinal stenosis. After 18 novel low‐frequency sound wave treatments, initial VAS pain score of 9.5 reduced to 2.5 and the Rolland‐Morris score of 13 reduced to 3. MRI showed some resolution of L3–L4 and L4–L5.
Pitfall of isolated superior mesenteric artery dissection with normal D‐dimer level
Authors: Uno Sumika , Yamashita Shun , Tago Masaki , Yamashita Shu‐ichi 
Published: July 2022

AbstractA 51‐year‐old man with untreated hypertension developed sudden‐onset epigastric pain. Despite a normal D‐dimer level, abdominal contrast‐enhanced computed tomography revealed superior mesenteric artery dissection. Abdominal contrast‐enhanced computed tomography is mandatory when examining patients with sudden‐onset abdominal pain, even those with a normal D‐dimer level.
Intrusion of overerupted molars with temporary anchorage devices before prosthetic reconstruction: A case report
Authors: Kučera Josef , Marek Ivo , Tomeček Martin , Foltán René , Foltánová Barbara 
Published: July 2022

AbstractExtraction of teeth without adequate prosthetic rehabilitation frequently can lead to overeruption of opposing teeth, which may cause occlusal disturbances and complicate dental restoration. Equilibration with consequent need of endodontic treatment, surgical intrusion or extraction are often indicated as a remedy in such cases. The article proposes a method of orthodontic intrusion with the use of temporary anchorage devices as a predictable and less invasive option. Important clinical aspects of molar intrusion with respect to surrounding anatomical structures are also discussed.
Acute reversible monoparesis in multiple neurocysticercosis: A case report and review of literature
Authors: Dhakal Bishal , Sapkota Sachin , Shrestha Sheetal , Acharya Suchita , Parajuli Aakriti , Baniya Aashish , Paudel Raju 
Published: July 2022

AbstractFocal neurological deficit like monoparesis due to cortical lesions is a rare entity. In spite of the common presentations like seizures and headaches in neurocysticercosis, occurrence of reversible monoparesis is an atypical phenomenon. Even in the absence of infarct or hemorrhages, manifestation of neural deficit due to compressive effect only is an interesting finding. And on top of that, reversible nature of the deficit in space occupying lesion is a rare occurrence in the existing literature. Here, we describe a known case of neurocysticercosis with reversible acute monoparesis secondary to multiple neurocysticercosis. The variations with which neurocysticercosis can present broaden our understanding in its pathophysiology and management protocol.
Encapsulation Enhances the Catalytic Activity of C‐N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst
Authors: Talmazan Radu A. , Refugio Monroy J. , del Río‐Portilla Federico , Castillo Ivan , Podewitz Maren 
Published: July 2022

AbstractDevelopment of C−N coupling methodologies based on Earth‐abundant metals is a promising strategy in homogeneous catalysis for sustainable processes. However, such systems suffer from deactivation and low catalytic activity. We here report that encapsulation of Cu(I) within the phenanthroyl‐containing calix[8]arene derivative 1,5‐(2,9‐dimethyl‐1,10‐phenanthroyl)‐2,3,4,6,7,8‐hexamethyl‐p‐tert‐butylcalix[8]arene (C8PhenMe6) significantly enhances C−N coupling activity up to 92 % yield in the reaction of aryl halides and aryl amines, with low catalyst loadings (2.5 % mol). A tailored multiscale computational protocol based on Molecular Dynamics simulations and DFT investigations revealed an oxidative addition/reductive elimination process of the supramolecular catalyst [Cu(C8PhenMe6)I]. The computational investigations uncovered the origins of the enhanced catalytic activity over its molecular analogues: Catalyst deactivation through dimerization is prevented, and product release facilitated. Capturing the dynamic profile of the macrocycle and the impact of non‐covalent interactions on reactivity allows for the rationalization of the behavior of the flexible supramolecular catalysts employed.
Bidentate Rh(I)‐Phosphine Complexes for the C−H Activation of Alkanes: Computational Modelling and Mechanistic Insight
Authors: Huang Tianbai , Kupfer Stephan , Richter Martin , Gräfe Stefanie , Geitner Robert 
Published: July 2022

AbstractThe C−H activation and subsequent carbonylation mediated by metal complexes, i. e., Rh(I) complexes, has drawn considerable attention in the past. To extend the mechanistic insight from Rh complexes featuring monodentate ligands like P(Me)3 towards more active bisphosphines (PLP), a computationally derived fully conclusive mechanistic picture of the Rh(I)‐catalyzed C−H activation and carbonylation is presented here. Depending on the nature of the bisphosphine ligand, the highest lying transition state (TS) is associated either to the initial C−H activation in [Rh(PLP)(CO)(Cl)] or to the rearrangement of the chloride in [Rh(PLP)(H)(R)(Cl)]. The chloride rearrangement was found to play a key role in the subsequent carbonylation. A set of 20 complexes of different architectures was studied, in order to fine tune the C−H activation in a knowledge‐driven approach. The computational analysis suggests that a flexible ligand architecture with aromatic rings can potentially increase the performance of Rh‐based catalysts for the C−H activation.
Molecular Design of Silicon‐Containing Diazenes: Absorbance ofEandZIsomers in the Near‐Infrared Region
Authors: Doronina Evgeniya P. , Jouikov Viatcheslav , Sidorkin Valery F. 
Published: July 2022

AbstractThe effective use of photochromic systems based on azo compounds in a number of applications, especially biomedical and pharmacological ones, is impeded by the unresolved problem of theirE⇆Zisomerization in the near‐IR region, NIR (780–1400 nm). We have demonstrated at the TD‐DFT, STEOM‐DLPNO‐CCSD and CASSCF‐NEVPT2 levels of theory that the presence of a silylated diazene core −Si−N=N−Si− with three‐, tetra‐ or five‐coordinated silicon atoms practically guarantees the absorption of theEandZforms of such derivatives in NIR and the amazing (185–400 nm) separation of their first absorption bands. In particular, the maximumλ1of the first n→π* band of theEisomer of azosilabenzeneASiBis at ∼1030 nm, while for theZisomerλ1≅1340 nm. Based on the found bistable azo compounds (ASiB, bis(silyl)‐SiDand bis(silatranyl)‐SaDdiazenes) and their derivatives withEandZabsorption in NIR, unique photoswitches can be created for a number of applications, in particular, for photothermal therapy.
Enantiomeric separation of bupropion by liquid chromatography on derivatized cyclofructan chiral stationary phase
Authors: Kozlov Oleksandr , Záhoráková Daniela , Armstrong Daniel W. , Gondová Taťána 
Published: July 2022

AbstractHigh‐performance liquid chromatography (HPLC) is an ideal tool for enantiomeric separations of different drugs. In this study, the direct enantioseparation of bupropion, an atypical antidepressant structurally related to cathinone, was explored by using five chiral columns, including three based on derivatized cyclofructans, macrocyclic glycopeptide teicoplanin, and an immobilized amylose derivative under multimodal elution conditions. Baseline enantioseparation was obtained on the LarihcShell CF6‐RN column, with derivatized cyclofructan 6, in the polar organic mode. The effects of the mobile‐phase composition, type and content of major components, the nature and the amount of mobile‐phase additives, and the column temperature on the retention, selectivity, and resolution were investigated to optimize enantioseparation. The calibration curve was linear in the range of 10–125 μg/ml for each enantiomer. The limits of detection and quantification were 0.1 and 0.3 μg/ml for both enantiomers of bupropion. The chiral recognition was controlled especially by H bonds, π–π, dipole–dipole interactions, and steric effects. Finally, the developed method was applied to the determination of bupropion in the commercially available drug.
Impact of cell spreading on second‐life of lithium‐ion batteries
Authors: Galatro Daniela , Romero David A. , Da Silva Carlos , Trescases Olivier , Amon Cristina H. 
Published: July 2022

AbstractThe evolution of the degradation paths of the cells in battery packs is shaped by both intrinsic cell‐to‐cell variations, also known as cell spreading, and spatial–temporal cell‐to‐cell differences in temperature and other stress factors. To account for these variations and differences in degradation, we propose a statistical approach for modelling the degradation of lithium‐ion batteries (LIBs) that utilizes a three‐parameter non‐homogeneous gamma process, allowing for the prediction of the capacity fade or time‐to‐failure for any LIB architecture. This degradation modelling approach has been integrated into a cost model to investigate the sensitivity of the battery lifetime's economic outcome, aiming to maximize the added value of stationary battery storage composed of degraded electric vehicle batteries. Thus, the impact of cell spreading was quantified for three simulation scenarios on second‐life applications: (i) performing a simplified cost analysis to evaluate the business case for second‐life, (ii) performing an economic analysis to visualize the impact of spreading, and (iii) evaluating an existing power flow control strategy between LIB modules. The information derived from the spreading‐cost integration approach is valuable to support the technical and economic analyses in the decision‐making process of designing, installing, and running efficiently second‐life applications.
Kernels‐Different Au25Nanoclusters Enhanced Catalytic Performance via Modification of Ligand and Electronic Effects
Authors: Qu Mei , Xue Fang , Wei Jiang‐Yu , Qiao Miao‐Miao , Ren Wei‐Qi , Li Shi‐Li , Zhang Xian‐Ming 
Published: July 2022

Comprehensive SummaryUltrasmall atomically precise thiolate‐protected gold nanoclusters with surface open sites are crucial for practical applications in catalysis. However, there is a lack of systematic studies that unify the kernels‐isomerization, modification of peripheral ligands and electronic effects into one system, as well as their correlation to catalytic performances. In this work, three structurally related Au25nanoclusters with reported star Au25 kernels, Au25‐i‐FTP, Au25‐bi‐FTP, and Au25‐bi‐CHT have been synthesized through two different methods: one‐pot direct reduction and two‐step reduction by using AsPh3 as converter. Their structures and catalytic performance have been comparatively investigated. Au25‐i‐FTP has a classic Au13 core capped by six dimeric RS‐Au‐SR‐Au‐SRs, while Au25‐bi‐FTP and Au25‐bi‐CHT feature typical rod‐shaped biicosahedral geometric kernel. All of the three Au25 clusters were effective catalysts for oxidation of organosilanes, different from conclusions obtained in literature. Especially, the nanorod‐type Au25‐bi‐CHT clusters protected by flexible thiol ligands showed very good catalytic performance in this reaction, the conversion and selectivity were close to 100% within 5 min. The ligand rigidity and electron effects work together to modulate the catalytic properties. The findings inspire us to rethink kernel and ligand effects on catalytic property, and the principle demonstrated here will possibly be widely‐used in high active atom‐precise catalysts modification.
Palladium‐Catalyzed Methionine‐Facilitated β and γ C(sp3)–H Arylation of N‐Terminal Aliphatic Amino Acids of Peptides
Authors: Chen Xiangxiang , Li Bo , Tong Huarong , Qi Liping , He Gang , Chen Gong 
Published: July 2022

Comprehensive SummaryA new method for post‐assembly modification of peptides via the Pd‐catalyzed endogenous group‐directed sp3 C—H arylation with aryl iodides is developed. The sulfide side chain of methionine (Met) residue can facilitate the arylation of both β and γ methyl C—H bonds of N‐terminal aliphatic amino acids of peptides via formation of 5 or 6‐membered palladacycle intermediates. The reactions can proceed in moderate to good yield and with excellent diastereoselectivity.
Crystalline Germanium‐Dipyrromethene Radicals: from a Delocalized Neutral to a Localized Cation
Authors: Dai Yuyang , Bao Manling , Wang Wenjuan , Xie Zhuofeng , Liu Chunmeng , Su Yuanting 
Published: July 2022

Comprehensive SummaryBoth dipyrromethene complexes and radicals of heavier main group elements have been of high interest. However, cationic germanium radicals and dipyrromethene‐based radicals of heavier main group elements are still escaped to be isolated. Herein, we report the isolation and full characterization of a neutral Ge(I)‐masked dipyrromethene‐based radical 3 and the first cationic Ge(III)‐centered radical 5·+ as stable crystalline solids. 3 behaves as a germanium(I) radical in its reaction with diphenyl disulfide to form the Ge—S bond, although X‐ray crystallographic, EPR spectroscopic, computational studies revealed that the unpaired electron of 3 is mainly delocalized over the C9N2Ge backbone and the allylic radical character is also significant in 3. In contrast to 3, the spin density of 5·+ is mainly localized at the Ge center with minor contribution from the dipyrromethene ligand. Moreover, reduction of 5·+ with potassium graphite quantitatively regenerates 5, illustrating a reversible one‐electron redox pair.
Initiating ivabradine during hospitalization in patients with acute heart failure: A real‐world experience in China
Authors: Liu Ying‐Xian , Chen Wei , Lin Xue , Zhu Yan‐Lin , Lai Jing‐Zhi , Li Jin‐Yi , Guo Xiao‐Xiao , Yang Jing , Qian Hao , Zhu Yuan‐Yuan , Wu Wei , Fang Li‐Gang 
Published: July 2022

AbstractBackgroundInitiating ivabradine in acute heart failure (HF) is still controversial.HypothesisIvabradine might be effective to be added in acute but hemodynamically stable HF.MethodsA retrospective cohort of hemodynamically stable acute HF patients was enrolled from January 2018 to January 2020 and followed until July 2020. The primary endpoints were all‐cause mortality and rehospitalization for HF. Secondary endpoints included heart rate (HR), cardiac function measured by New York Heart Association (NYHA) class, and left ventricular ejection fraction (LVEF) and adverse events, which were compared between patients with or without ivabradine.ResultsA total of 126 patients were enrolled (50 males, median age 54 years, 81% with decompensated HF, median follow‐up of 9 months). In patients treated with ivabradine, although baseline HRs were higher than the reference group (96 vs. 80 bpm), they were comparable after 3 months; more patients tolerated high doses of β‐blockers (27% vs. 7.9%), improved to NYHA class I function (55.6% vs. 23.8%) and exhibited normal LVEFs (37.8% vs. 14.3%) than the reference group (all p < .05). Ivabradine was associated with a significant reduction of rehospitalization for HF than the reference group (25.4% vs.61.9%), with longer event‐free survival times (hazard ratio: 0.45, 95% confidence interval [CI]: 0.25–0.79), and was related with primary endpoints negatively (hazard ratio 0.51, 95% CI: 0.28–0.91) (all p < .05).ConclusionIn patients with acute but hemodynamically stable HF, ivabradine may significantly reduce HR, improve cardiac function, and reduce HF rehospitalization.
CO2‐Assisted Fabrication of 2D Amorphous CeO2 and Its Application in Photoluminescence Enhancement
Authors: Guo Ziye , Yang Huanhuan , Tian Qingyong , Ma Wenjie , Xu Qun , Han Buxing 
Published: July 2022

AbstractTwo‐dimensional (2D) non‐van der Waals (non‐vdW) amorphous nanomaterials have attracted much attention for optical, catalytic and biomedical applications owing to their rich dangling bonds and unsaturated coordination. CeO2, a typical non‐vdW material, with amorphous 2D structure and intrinsic optical properties have rarely been prepared via a top‐down method due to the lack of anisotropy in its 3D bonding network. Herein, we develop an environmentally‐friendly top‐down method to achieve ultrathin 2D amorphous CeO2−x with controllable defects from bulk CeO2 by utilizing supercritical CO2. The unique CeO2−x nanosheets exhibit outstanding ultraviolet‐visible adsorption and photoluminescence (PL) properties due to the disordered atomic structure and increased vacancy defects resulting from the cleavage of Ce−O covalent bonds and amorphization of CeO2. In addition, the defect‐related emission mechanism of the visible PL for the as‐prepared 2D CeO2−x nanosheets has been proposed.
Safe performance of cytoreductive surgery and hyperthermic intraperitoneal chemotherapy in patients with HIV infection
Authors: Coghill Anna , Sanchez Julian , Sinha Sweta , Permuth Jennifer B. , Laskowitz Danielle , Powers Benjamin D. , Dineen Sean P. 
Published: July 2022

AbstractBackgroundPatients with HIV (PHIV) are living longer with the adoption of anti‐retroviral therapy. As such, more patients are presenting with advanced cancer diagnoses, including peritoneal surface malignancies. The objective of this study was to assess the safety of CRS/HIPEC in this cohort of patients.CaseFive PHIV were identified, four of whom underwent CRS/HIPEC. Primary sites of disease were low‐grade appendiceal mucinous tumors in three patients and peritoneal mesothelioma in the other. Operative time ranged from 7 to 14 h. One patient developed a Clavien grade II complication postoperatively. There was no instance of neutropenia identified. One patient died of disease 19 months after surgery; the remaining three patients are alive 11, 21, and 33 months postoperatively.ConclusionThis study demonstrates that CRS/HIPEC can be performed in PHIV without prohibitive complications and operative recovery approximates that of non‐HIV patients. Though more study is needed, HIV should not preclude a patient from being offered CRS/HIPEC.
Continuity Equation and Characteristic Flow for Scalar Hencky Plasticity
Authors: Babadjian J.‐F. , Francfort G. A. 
Published: July 2022

AbstractWe investigate uniqueness issues for a continuity equation arising out of the simplest model for plasticity, Hencky plasticity. The associated system is of the form where 𝜇 is a nonnegative measure and 𝜎 a two‐dimensional divergence‐free unit vector field. After establishing the Sobolev regularity of that field, we provide a precise description of all possible geometries of the characteristic flow, as well as of the associated solutions. © 2022 Courant Institute of Mathematics and Wiley Periodicals LLC.
Construction of CoMo2S4 Nanorods/Nanosheets Electrodes with Enhanced Electrochemical Properties for Asymmetric Pseudocapacitors
Authors: Zhang Yuyu , Guo Chunli , Li Gang , Xu Lichun , Guo Meiqing 
Published: July 2022

AbstractThe construction of hierarchical nanostructures and the synergistic effect of bimetal compounds provide effective strategies to address the low energy density of supercapacitors. Herein, CoMo2S4 (CMS) nanosheets anchored on homogeneous nanorods vertically distributed on nickel foam (NF) were fabricated using a two‐step hydrothermal method. The hierarchical homostructure CMS materials heavily depend on the vulcanization parameter of the second step synthesis. As an electrode of supercapacitors, CoMo2S4 exhibits a large specific capacity of 1992.85 F g−1 at 2 mA cm−2, and specific capacity retention of 106 % through 8000 cycles when sulfurization condition was at 120 °C for 6 h (CMS/NF‐120). Such excellent performances benefit from hierarchical homostructure, which can provide a large reaction surface area, fast ion/electron diffusion channels and rich active sites. Furthermore, the asymmetric pseudocapacitors device constructed with CMS/NF‐120 and active carbon exhibits a maximum energy density of 39.8 Wh kg−1, and good long‐term stability (80.1 % capacitance retention after 10,000 cycles).
Relationship between occlusal force and endothelial function in community‐dwelling elderly women: A pilot study
Authors: Kato Kanna , Matsuda Naoko , Takahata Miki , Koseki Chika , Yamaki Michiyasu , Sato Toshiaki 
Published: July 2022

AbstractObjectiveIn this study, age, endothelial function as flow‐mediated dilation (FMD), occlusal force, grip strength, and advanced glycation end products (AGEs) were obtained. AGEs were measured as indicators of aging, while grip strength was measured as an indicator of muscle strength. This study aimed to explain the relationship between occlusal force and endothelial function and determine whether occlusal force can be a new indicator in community preventative care projects.Materials and MethodsIn 38 community‐dwelling women (age, 76.7 ± 5.7 years), the occlusal force and grip strength were measured, the endothelial function was evaluated by FMD, and AGEs were obtained. The relationship between occlusal force, measurement items, and factors were investigated independently related to endothelial function.ResultsThere were significant correlations between occlusal force and grip strength (r = .54, p < .01). The degree of FMD was significantly associated with occlusal force (r = .60, p < .01) and grip strength (r = .35, p < .05) or increase in AGEs (r = −.37, p < .05). Multiple regression analysis revealed that occlusal force was significantly associated with the degree of FMD (p < .01).ConclusionOcclusal force can be an important indicator of endothelial function in the community‐dwelling elderly. This study may help understand the general health of the elderly in communities.