bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controversial molecular functions of CBS versus non‐CBS domain variants of PRKAG2 in arrhythmia and cardiomyopathy: A case report and literature review
Authors: Gong Xue , Yu Peiyu , Wu Ting , He Yunru , Zhou Kaiyu , Hua Yimin , Lin Sha , Wang Tao , Huang He , Li Yifei 
Published: May 2022

AbstractBackgroundPRKAG2 cardiac syndrome is a rare autosomal dominant genetic disorder caused by a PRKAG2 gene variant. There are several major adverse cardiac presentations, including hypertrophic cardiomyopathy (HCM) and life‐threatening arrhythmia. Two cases with pathogenic variants in the PRKAG2 gene are reported here who presents different cardiac phenotypes.MethodsExome sequencing and variant analysis of PRKAG2 were performed to obtain genetic data, and clinical characteristics were determined.ResultsThe first proband was a 9‐month‐old female infant (Case 1), and was identified with severe DCM and resistant heart failure. The second proband was a 10‐year‐old female infant (Case 2), and presented with HCM and ventricular preexcitation. Exome sequencing identified a de novo c.425C > T (p.T142I) heterozygous variant in the PRKAG2 gene for Case 1, and a c.869A > T (p.K290I) for Case 2. The mutated sites in the protein were labeled and identified as p.K290 in the CBS domain and p.T142 in the non‐CBS domain. Differences in the molecular functions of CBS and non‐CBS domains have not been resolved, and variants might lead to the different cardiomyopathy phenotypes. Single‐cell RNA analysis demonstrated similar expression levels of PRKAG2 in cardiomyocytes and conductive tissues. These results suggest that the arrhythmia induced by the PRKAG2 variant was the primary change, and not secondary to cardiomyopathy.ConclusionIn summary, this is the first case report to describe a DCM phenotype with early onset in patients possessing a PRKAG2 c.425C > T (p.T142I) pathogenic variant. Our results aid in understanding the molecular function of non‐CBS variants in terms of the disordered sequence of transcripts. Moreover, we used scRNA‐seq to show that electrically conductive cells express a higher level of PRKAG2 than do cardiomyocytes. Therefore, variants in PRKAG2 are expected to also alter the biological function of the conduction system.
Optical Activity of Spin‐Forbidden Electronic Transitions in Metal Complexes from Time‐Dependent Density Functional Theory with Spin‐Orbit Coupling
Authors: Ludowieg Herbert D. , Srebro‐Hooper Monika , Crassous Jeanne , Autschbach Jochen 
Published: May 2022

AbstractThe calculation of magnetic transition dipole moments and rotatory strengths was implemented at the zeroth‐order regular approximation (ZORA) two‐component relativistic time‐dependent density functional theory (TDDFT) level. The circular dichroism of the spin‐forbidden ligand‐field transitions of tris(ethylenediamine)cobalt(III) computed in this way agrees very well with available measurements. Phosphorescence dissymmetry factors
and the corresponding lifetimes are evaluated for three N‐heterocyclic‐carbene‐based iridium complexes, two of which contain helicene moieties, and for two platinahelicenes. The agreement with experimental data is satisfactory. The calculations reproduce the signs and order of magnitude of
, and the large variations of phosphorescence lifetimes among the systems. The electron spin contribution to the magnetic transition dipole moment is shown to be important in all of the computations.
FeO(OH)@C‐Catalyzed Selective Hydrazine Substitution of p‐Nitro‐Aryl Fluorides and their Application for the Synthesis of Phthalazinones
Authors: Li Dingzhong , Zhang Wensheng , Zhu Longzhi , Yin Shuang‐Feng , Kambe Nobuaki , Qiu Renhua 
Published: May 2022

AbstractAn efficient hydrazine substitution of p‐nitro‐aryl fluorides with hydrazine hydrates catalyzed by FeO(OH)@C nanoparticles is described. This hydrazine substitutions of p‐nitro‐aryl fluorides bearing electron‐withdrawing groups proceeded efficiently with high yield and selectivity. Similarly, hydrogenations of p‐nitro‐aryl fluorides containing electron‐donating groups also smoothly proceeded under mild conditions. Furthermore, with these prepared aryl hydrazines, some phthalazinones, interesting as potential structures for pharmaceuticals, have successfully been synthesized in high yields.
Direct Syntheses of Diphenylmethanol Derivatives from Substituted Benzenes and CHCl3 through Friedel‐Crafts Alkylation and Post‐Synthetic Hydrolysis or Alcoholysis Catalyzed by Alumina
Authors: Suri Guga , Liang Fengying , Hu Mixia , Wang Meiling , Bu Ren , Zhang Xiaoying , Wang Hui , Dong Wenyan , Eerdun Chaolu , Tsuda Akihiko 
Published: May 2022

AbstractThe present study reports an innovative finding that alumina containing water or primary alcohol catalyzes the hydrolysis or alcoholysis, respectively, of the product formed through AlCl3‐mediated Friedel‐Crafts alkylation of methyl‐substituted benzenes and CHCl3. The former and later reactions mainly provided hydroxy‐ and alkoxy‐substituted diarylmethanes, respectively, while the reference reactions without alumina provided bisarylchloromethane. This method enables the selective syntheses of diphenylmethanol derivatives with very simple procedures, without expensive reagents and apparatuses. Furthermore, the alumina used in the reaction could be recycled by washing with water and subsequent drying. From the viewpoint of material recycling, this function is very important for the development of sustainable chemical reactions.
Guanfacine for irritability, impulsivity, and agitation in elderly patients: A report of two cases
Authors: Miyoshi Takafumi , Noborio Yayoi , Hoonhwa Chang , Ishimori Yuki 
Published: May 2022

AbstractBackgroundIrritability, impulsivity, and agitation in elderly patients with dementia are highly prevalent and extremely burdening for patients, caregivers, and medical staff. In general hospitals, they have been one of the major problems that develop and disturb care and treatment. However, the mechanisms underlying these symptoms remain unclear, and there is no established treatment. In actual clinical practice, antipsychotic drugs and mood stabilizers have been mainly used as pharmacotherapies for these symptoms, but adverse effects of these drugs have often been problematic.Case PresentationWe report two valuable cases of elderly patients who were admitted to our hospital due to physical disorders and developed irritability, impulsivity, and agitation, which were effectively treated with guanfacine at very low doses and in a short period.ConclusionThe present cases suggest that guanfacine may be a therapeutic option for treating irritability, impulsivity, and agitation in elderly patients.
Effects of material properties of band‐gap‐graded Cu(In,Ga)Se2 thin films on the onset of the quantum efficiency spectra of corresponding solar cells
Authors: Thomas Sinju , Bertram Tobias , Kaufmann Christian , Kodalle Tim , Márquez Prieto José A. , Hempel Hannes , Choubrac Leo , Witte Wolfram , Hariskos Dimitrios , Mainz Roland , Carron Romain , Keller Jan , Reyes‐Figueroa Pablo , Klenk Reiner , Abou‐Ras Daniel 
Published: May 2022

AbstractPolycrystalline Cu(In,Ga)Se2 (CIGSe) thin‐film solar cells exhibit gradual onset in their external quantum efficiency (EQE) spectra whose shape can be affected by various CIGSe material properties. Apart from influences on the charge‐carrier collection, a broadening of the EQE onset leads to enhanced radiative losses in open‐circuit voltage (Voc). In the present work, Gaussian broadening of parameters describing the EQE onset of thin‐film solar cells, represented by the standard deviation, 𝜎total, was evaluated to study the impacts of the effective band‐gap energy, the electron diffusion length, and the Ga/In gradient in the CIGSe absorber. It is shown that 𝜎total can be disentangled into contributions of these material properties, in addition to a residual component 𝜎residual. Effectively, 𝜎total depends only on a contribution related to the Ga/In gradient as well as on 𝜎residual. The present work highlights the connection of this compositional gradient, the microstructure in the polycrystalline CIGSe absorber, and the luminescence emission with the residual component 𝜎residual. It is demonstrated that a flat band‐gap with no compositional gradient in the bulk of the CIGSe absorber is essential to obtain the lowest 𝜎total values and thus result in lower recombination losses and gains in Voc.
The efficacy and safety of fingolimod plus standardized treatment versus standardized treatment alone for acute ischemic stroke: A systematic review and meta‐analysis
Authors: Bai Peng , Zhu Runxiu , Wang Ping , Jiang Feng , Zhen Jin , Yao Yuan , Zhao Chenhui , Liang Zihong , Wang Meiling , Liu Bin , Li Min , Li Na , Yuan Jun 
Published: May 2022

AbstractAcute ischemic stroke (AIS) is the most common type of stroke. Fingolimod is a sphingosine analog that acts on sphingosine‐1‐phosphate receptors (S1PR). Recently, the safety and efficacy of fingolimod in both patients with intracerebral hemorrhage and patients with AIS have been investigated in proof‐of‐concept trials. In this review, we performed a meta‐analysis to evaluate the efficacy and safety of fingolimod for AIS. This study was conducted according to the PRISMA (Preferred Reporting Items for Systemic review and Meta‐Analysis) statement. We searched for publications on the PubMed, Embase, Cochrane Central Register of Controlled Trials, Clinical trials, CNKI, Wanfang Data, VIP, CBM up to August 2021. We compiled five studies; a main meta‐analysis forest plots were conducted for the values of the proportion of patients whose modified Rankin scale (MRS) score was 0–1 at day 90. There were heterogeneities in each study; the method of sensitivity analysis was performed. A sensitivity analysis was performed with a mean difference (MD) of the efficacy of fingolimod plus standardized treatment versus standardized treatment alone. Random effect model is used for meta‐analysis regardless of the I2 index. The analysis was carried out for categorical variables using the risk ratio (RR), LogRR, and its 95% CI. The methodological quality of each randomized controlled trial (RCTs) was assessed according to the Cochrane Collaboration tool to assess the risk of bias (ROB). A meta‐analysis of five studies with 228 participants was conducted. The risk ratio of patients whose MRS score was 0–1 at day 90 between fingolimod plus standardized treatment and standardized treatment alone was 2.59 (95%CI, 1.48–4.56). The Fingolimod plus standard treatment group decreased infarct growth and improved clinical function than the standard treatment.
Output‐feedback Q‐learning for discrete‐time linear H∞ tracking control: A Stackelberg game approach
Authors: Ren Yunxiao , Wang Qishao , Duan Zhisheng 
Published: May 2022

AbstractIn this article, an output‐feedback Q‐learning algorithm is proposed for the discrete‐time linear system to deal with the tracking control problem. The problem is formulated as a zero‐sum game in the Stackelberg game framework with a discount factor to make the value function bounded. According to the principle of optimality, the game algebraic Riccati equation (GARE) is derived and solved by the Q‐learning algorithm to get the optimal solution of the Stackelberg game without requiring the knowledge of system dynamics and state. It is proved that the solution of the algorithm converges to the optimal control input and the worst‐case disturbance with excitation noises during training, and the Stackelberg strategy can achieve a lower disturbance attenuation level than the Nash one. Moreover, the impacts of the discount factor on the stability of the closed‐loop system and solvability of the GARE are analyzed to provide some criteria for the choice of the discount factor. Simulation examples are provided to validate the effectiveness of the algorithm.
Real time monitoring and prediction of time to endpoint maturation in clinical trials
Authors: Wang Li , Liu Yang , Chen Xiaotian , Pulkstenis Erik 
Published: May 2022

AbstractIn clinical trials, almost all key milestone dates can be defined in terms of time to endpoint maturation (TTEM). The real time monitoring and accurate prediction of TTEM have a significant impact on clinical trial planning and execution and can bring significant value to clinical trial practitioners. TTEM is defined as the time to achieve or observe a certain number or percentage of some endpoint of interest. It is a combination of time to site initiation, time to subject enrollment after site initiation and time to event of interest after subject enrollment. To better predict TTEM during the trial, the future site initiation and subject enrollment have to be taken into account while predicting the number of events. In this article, we propose a novel simulation‐based framework combining time to site initiation, time to subject enrollment and time to event in order to predict TTEM. A nonhomogeneous Poisson process with a quadratic time‐varying rate function is used to model site initiation and subject enrollment and more advanced time to event models had been explored and integrated on top of them, such as Weibull, piecewise exponential, and model averaging which is equivalent to a Bayesian model selection strategy. To evaluate the predictive performance of the proposed methodology, we conducted extensive simulations and applied the methodology to 14 randomly selected real oncology phase 2 and phase 3 studies in both solid tumor and hematology with a total 31 study‐endpoint combinations. The predictive performance of the proposed methodology was then compared with popular and commonly available commercial software, for example, East (Cytel, Cambridge, MA, USA). From both simulation and real data, the proposed methodology can significantly improve the prediction accuracy by up to 54% compared to the commonly available method.
Two Different Strategies Based on Three‐Way Analysis Models of UV Spectroscopic and Spectrochromatographic Measurements to Quantify the Acidity Constant of Acetylsalicylic Acid
Authors: Dinç Erdal , Ertekin Zehra Ceren 
Published: May 2022

AbstractA comparative study to quantify acid dissociation constant (pKa) of acetylsalicylic acid by applying the parallel factor analysis (PARAFAC) to three‐way data arrays of UV spectroscopic and spectrochromatographic measurements was presented. In data recording and data collection stages, the spectrochromatograms of 20 μg/mL acetylsalicylic acid in different mobile phases having seven different pH levels were recorded, and a cubic data set was created with time x wavelength x pH dimensions. UV spectra of the analyte in the concentration range of 10–30 μg/mL and in seven different pH media were recorded and arranged as a three‐way array with dimensions, wavelength x concentration x pH. To estimate the pKa by two different chemometric strategies, the cubic data sets were decomposed into trilinear components, which allowed to predict the pKa in the pH profiles. In practice, the three‐way analysis‐based UV spectroscopic and spectrochromatographic methods didn't include a titration procedure and had a second‐order advantage over traditional pKa determination methods. As a result, this investigation on the rapid and accurate estimation of the acidity constant of acetylsalicylic acid provided alternative and practical ways to determine the pKa of active pharmaceutical ingredients in the future.
Synthesis of Xylo‐oligosaccharide from D‐xylose by Catalyst of Oxalate Acid
Authors: Yang Hao , Liu Jingguang , Tao Yanzhi , Zhu Tian , Li Yijing , Nong Guangzai 
Published: May 2022

AbstractXylo‐oligosaccharide (XOS) can stimulate the growth of Bifidobacterium, it is widely used in functional food, nutritional products and other aspects. At present, XOS is mainly prepared by hydrolysis of the hemicellulose in plant materials by enzyme catalyzing, resulting the high cost. In order to find an efficient method to reduce the cost, XOS was prepared by synthesis from D‐xylose through oxalate acid catalyzing in this paper, getting the results as following: a light‐yellow product of XOS was obtained with the max yield of 53.75±3.48 %. Its molecular weight is in the range of 459–1306 g/mol, being oligomers contain 3–9 units of D‐xylose units. In addition, the XOS contains both of the basic units of α‐D‐xylose and β‐D‐xylose, mainly connected by both α1‐β4 and β1‐α4 glycosidic bonds. Therefore, this study develops a new method of XOS generation, doing benefit to the high value‐added utilization of xylose.
Adsorption and Corrosion Inhibition of Cactus cladode Extract and Effect of KI Addition on Mild Steel in 0.5 M H2SO4
Authors: Oulabbas Amel , Abderrahmane Sihem , Salcı Abdullah , Geçibesler İbrahim Halil , Solmaz Ramazan 
Published: May 2022

AbstractAdsorption and corrosion inhibitionof Cactus cladode(CC) extract collectedin eastern Algeria from areas of Chetaibi in Annaba on mild steel (MS) in 0.5 MH2SO4 solution were studied with potentiodynamic polarization (PP) and electrochemical impedance spectroscopy (EIS) measurements. The electrochemical stability of surface inhibitor film was investigated by chronoamperometry (CA) technique. The MS surface exposed to thecorrosive medium in the absence and presence of CC extract was examined by scanning electron microscopy (SEM) and energy dispersive X‐ray spectroscopy (EDX) techniques. The potential of zero charge(Epzc) of MS in the presence of CC extract was determined by EIS methodand excess surface scharge of the metal surface was determined. It was found that CC extract has a high inhibition effeciency on the corrosion of MS. The thermodynamic examinations indicated that Kads was 20.88 L g−1 and ▵G0ads was −24.64 kJ mol−1.Thevalue of Epzc confirmed excess positive charge atthe MS surface. The adsorption of extract molecules obeys to Langmuir isotherm. The inhibition efficiency was 91.8 % at 1000 ppm CC extract concentration, while it iscreased to 97.7 % when 1000 ppm KI was added to this solution.The inhibitor film formed over the metal surface has a hydrophobic character.The addition of KI to the inhibited solution stabilizes the surface film and enhances inhibition efficiency.
One‐pot Synthesis of 3,5‐disubstituted‐2,6‐dicyanoaniline Derivatives using CoFe2O4@SiO2@L‐Arginine as a Magnetically Nanocatalyst
Authors: Yari Mehdi , Shiri Lotfi , Rostami Hedieh 
Published: May 2022

AbstractHerein, we report an appropriate procedure for the synthesis of 3,5‐disubstituted‐2,6‐dicyanoaniline derivatives through a condensation reaction of β‐nitrostyrenes, malononitrile and aldehydes using CoFe2O4@SiO2‐Arginine magnetic nanoparticles as a basic nanocatalyst. In this work, 3,5‐disubstituted‐2,6‐dicyanoaniline derivatives were synthesized in good yields. This catalyst was characterized by FT‐IR, XRD, EDX, TGA, VSM and SEM analysis. Also, this nanocatalyst has advantages such as easy separation and reusability even after five runs without a significant reduction in its activity.
Insight into Reversible Conversion Reactions in SnO2‐Based Anodes for Lithium Storage: A Review
Authors: Lan Xuexia , Xiong Xingyu , Liu Jun , Yuan Bin , Hu Renzong , Zhu Min 
Published: May 2022

AbstractVarious anode materials have been widely studied to pursue higher performance for next generation lithium ion batteries (LIBs). Metal oxides hold the promise for high energy density of LIBs through conversion reactions. Among these, tin dioxide (SnO2) has been typically investigated after the reversible lithium storage of tin‐based oxides is reported by Idota and co‐workers in 1997. Numerous in/ex situ studies suggest that SnO2 stores Li+ through a conversion reaction and an alloying reaction. The difficulty of reversible conversion between Li2O and SnO2 is a great obstacle limiting the utilization of SnO2 with high theoretical capacity of 1494 mA h g−1. Thus, enhancing the reversibility of the conversion reaction has become the research emphasis in recent years. Here, taking SnO2 as a typical representative, the recent progress is summarized and insight into the reverse conversion reaction is elaborated. Promoting Li2O decomposition and maintaining high Sn/Li2O interface density are two effective approaches, which also provide implications for designing other metal oxide anodes. In addition, some in/ex situ characterizations focusing on the conversion reaction are emphatically introduced. This review, from the viewpoint of material design and advanced characterizations, aims to provide a comprehensive understanding and shed light on the development of reversible metal oxide electrodes.
Wood‐Derived High‐Mass‐Loading MnO2 Composite Carbon Electrode Enabling High Energy Density and High‐Rate Supercapacitor
Authors: Chen Lian , Wang Feng , Tian Zhiwei , Guo Hongtao , Cai Chenyang , Wu Qijun , Du Haijuan , Liu Kunming , Hao Zhifei , He Shuijian , Duan Gaigai , Jiang Shaohua 
Published: May 2022

AbstractThe simple design of a high‐energy‐density device with high‐mass‐loading electrode has attracted much attention but is challenging. Manganese oxide (MnO2) with its low cost and excellent electrochemical performance shows high potential for practical application in this regard. Hence, the high‐mass‐loading of the MnO2 electrode with wood‐derived carbon (WC) as the current collector is reported through a convenient hydrothermal reaction for high‐energy‐density devices. Benefiting from the high‐mass‐loading of the MnO2 electrode (WC@MnO2‐20, ≈14.1 mg cm–2) and abundant active sites on the surface of the WC hierarchically porous structure, the WC@MnO2‐20 electrode shows remarkable high‐rate performance of areal/specific capacitance ≈1.56 F cm–2/45 F g–1, compared to the WC electrode even at the high density of 20 mA cm–2. Furthermore, the obtained symmetric supercapacitor exhibits high areal/specific capacitances of 3.62 F cm–2 and 87 F g–1 at 1.0 mA cm–2 and high energy densities of 0.502 mWh cm–2/12.2 Wh kg–1 with capacitance retention of 75.2% after 10 000 long‐term cycles at 20 mA cm–2. This result sheds light on a feasible design strategy for high‐energy‐density supercapacitors with the appropriate mass loading of active materials and low‐tortuosity structural design while also encouraging further investigation into electrochemical storage.
Cyclodextrin‐Confined Supramolecular Lanthanide Photoswitch
Authors: Yu Hua‐Jiang , Wang Haoran , Shen Fang‐Fang , Li Feng‐Qing , Zhang Ying‐Ming , Xu Xiufang , Liu Yu 
Published: May 2022

AbstractThe utilization of azobenzene‐based photoisomerization cannot only control the morphology of supramolecular assemblies, but can also regulate many biological processes. However, the design of azobenzene‐involved nanoconstructs with switchable photoluminescence remains challenging because of the light‐quenching ability of azobenzene. Herein, an azobenzene‐derived multicomponent nanosystem is reported and its function as a supramolecular lanthanide photoswitch is explored. The metal chelation between lanthanide ions (Ln3+ = Eu3+ and Tb3+) and 2,6‐pyridinedicarboxylic acid is utilized as the light‐emitting center but its inherent fluorescence emission is completely suppressed via the disordered motion of the adjoining azophenyl unit. Interestingly, the hydrophobic cavity of α‐cyclodextrin can provide a confined microenvironment to immobilize the molecular conformation of trans‐azobenzene, thus leading to the recovery of characteristic lanthanide luminescence both in aqueous solution and the hydrogel state. Also, the luminescence can be reversibly turned off when the cis‐azobenzene is expelled from the cavity of α‐cyclodextrin upon alternating light irradiation. This mutual cooperation arising from host–guest complexation and metal–ligand coordination confers the desired photoswitchable luminescence abilities on the commonly used azobenzenes, which may hold great promise in the creation of more advanced light‐responsive smart materials.