bluuebunny/crossref_metadata_2025_split huggingface dataset:
Operative and nonoperative management of anterior cruciate ligament injury: Differences in gait biomechanics at 5 years
Authors: Wellsandt Elizabeth , Khandha Ashutosh , Capin Jacob , Buchanan Thomas S. , Snyder‐Mackler Lynn 
Published: March 2020

AbstractGait biomechanics after anterior cruciate ligament (ACL) injury are associated with functional outcomes and the development of posttraumatic knee osteoarthritis. However, biomechanical outcomes between patients treated nonoperatively compared with operatively are not well understood. The primary purpose of this study was to compare knee joint contact forces, angles, and moments during loading response of gait between individuals treated with operative compared with nonoperative management at 5 years after ACL injury. Forty athletes treated operatively and 17 athletes treated nonoperatively completed gait analysis at 5 years after ACL reconstruction or completion of nonoperative rehabilitation. Medial compartment joint contact forces were estimated using a previously validated, patient‐specific electromyography‐driven musculoskeletal model. Knee joint contact forces, angles, and moments were compared between the operative and nonoperative group using mixed model 2 × 2 analyses of variance. Peak medial compartment contact forces were larger in the involved limb of the nonoperative group (Op: 2.37 ± 0.47 BW, Non‐Op: 3.03 ± 0.53 BW; effect size: 1.36). Peak external knee adduction moment was also larger in the involved limb of the nonoperative group (Op: 0.25 ± 0.08 Nm/kg·m, Non‐Op: 0.32 ± 0.09 Nm/kg·m; effect size: 0.89). No differences in radiographic tibiofemoral osteoarthritis were present between the operative and nonoperative groups. Overall, participants treated nonoperatively walked with greater measures of medial compartment joint loading than those treated operatively, while sagittal plane group differences were not present. Statement of clinical relevance: The differences in medial knee joint loading at 5 years after operative and nonoperative management of ACL injury may have implications on the development of posttraumatic knee osteoarthritis.
Evaluation of hydrophobic‐interaction chromatography resins for purification of antibody‐drug conjugates using a mimetic model with adjustable hydrophobicity
Authors: Müller Egbert , Sevilla Manuela , Endres Patrick 
Published: March 2020

AbstractAntibody drug conjugates are cytotoxic pharmaceuticals, designed to destroy malignant cells. A cytotoxic molecule is attached to an antibody that binds specific to a cancer‐cell surface. Given the high toxicity of the drugs, strict safety standards have to be kept. For this reason, an antibody drug conjugates model was developed with fluorescein 5‐isothiocyanate as the nontoxic payload surrogate. Due to the similar hydrophobicity, this model is used to establish a suitable purification process and characterization method for antibody drug conjugates. Because of the pH dependent solubility of fluorescein, the hydrophobicity of conjugates can be modulated by the pH value. Based on the complex heterogeneity and hydrophobicity of the conjugates a chromatographic purification is challenging. Hydrophobic interaction chromatography is used for analytical as well as for preparative separation. Because of the increased hydrophobicity of the conjugates compared to native antibody, hydrophobic interaction chromatography often suffer from resolution and recovery problems. Conjugates were separated differing on the number of payloads attached to the antibody. For this matter, the drug–antibody ratio is determined and used as a quantitative term. The conjugates are purified at high recoveries and resolution by step gradients using suitable resins, allowing the separation of the target drug–antibody ratio.
Amantadine hydrochloride monitoring by dried plasma spot technique: High‐performance liquid chromatography–tandem mass spectrometry based clinical assay
Authors: Li Yanyan , Jiang Yi , Lin Tao , Wan Qi , Yang Xiaoquan , Xu Guoxing , Huang Jing , Li Zhenlan 
Published: March 2020

AbstractAmantadine plasma concentrations correlate well with desired therapeutic effects and adverse outcomes; information on amantadine exposure could be useful when multiple amantadine clearance pathways are impaired or non‐compliance is suspected. Micro‐sampling strategies, like dried plasma spot, would be particularly useful because ambulatory patients that do not attend a clinic can easily sample a few drops of blood by themselves at the required time of the dosing interval. We developed and validated a dried‐plasma‐spot‐based high performance liquid chromatography–tandem mass spectrometry assay to quantify amantadine. This assay met relevant validation requirements within a hematocrit range of 20–50% and was linear from 100 to 2000 ng/mL. Amantadine was stable in dried plasma spots for up to 21 days at room temperature, regardless of whether the dried plasma spot was protected from light or not. The correlation between paired dried and wet plasma concentrations was assessed in 52 patients. Deming regression coefficients between wet plasma and simultaneously pipetted dried plasma spots were used to predict plasma concentrations. Bland–Altman plots revealed a strong agreement between dried and wet plasma concentrations, supporting the clinical usefulness of dried plasma spots for amantadine monitoring with a self‐sampling strategy at a convenient time and place for the patient.
A Lead‐Free All‐Inorganic Metal Halide with Near‐Unity Green Luminescence
Authors: Zhang Ruiling , Mao Xin , Zheng Daoyuan , Yang Yang , Yang Songqiu , Han Keli 
Published: March 2020

AbstractAs the increasing demand of lighting display technology, environmentally‐friendly, economic light‐emitting materials with high performance are required. Herein, a novel solution‐processed, highly emissive copper chloride compound β‐Cs3Cu2Cl5 is reported. The crystal structure determined by the Rietveld refinement of the powder X‐ray diffraction patterns shows that the corner‐sharing tetrahedral Cu–Cl chains are surrounded by Cs+ cations, yielding a one‐dimensional structure at molecular level. The all‐inorganic compound shows excellent photostability, and is thermally stable up to 550 °C. Excitingly, it exhibits room‐temperature photoluminescence in the green region with near‐unity quantum yield. Currently, this appears to be the most efficient lead‐free all‐inorganic green‐light emitting metal halides reported. This work presents a new direction toward the design of high‐efficiency, economic, and environmentally‐friendly light‐emitting materials.
Preparation and Properties of PVDF/Fe3O4 Nanofibers with Magnetic and Electret Effects and their Application in Air Filtration
Authors: Liu Fan , Li Mengying , Li Fang , Weng Kai , Qi Kun , Liu Chunhui , Ni Qingqing , Tao Xuejiao , Zhang Jing , Shao Weili , He Jianxin 
Published: March 2020

AbstractElectrospun electret filter material is widely studied because of its excellent removal effect on particulate matter from air streams. Here, a kind of high efficiency and low pressure drop nanofiber (NF) membrane with both electret effect and magnetic effect is developed, and compounded it with glass fiber mesh and polyester (polyethylene terephthalate) mesh to prepare a sandwich structure of NF anti‐haze window screen. Under the synergistic effect of magnetic particles, when the density is 2.06 g m−2, the filtration efficiency of NF anti‐haze window screen can reach 99.95% for the fine particles below 0.3 µm, while the filtration pressure drop is only 58.5 Pa, with good light transmittance and excellent breaking strength (6.32 MPa). Therefore, polyvinylidene fluoride/Fe3O4 composite NF membrane has a potential application prospect in the field of air filtration.
Is There a Difference in Autonomic Dysfunction Between Multiple System Atrophy Subtypes?
Authors: Garg Divyani , Srivastava Achal Kumar , Jaryal Ashok Kumar , Rajan Roopa , Singh Akanksha , Pandit Awadh Kishor , Vibha Deepti , Shukla Garima , Garg Ajay , Pandey Ravindra Mohan , Prasad Kameshwar 
Published: March 2020

ABSTRACTBackgroundAutonomic dysfunction forms the diagnostic cornerstone in MSA. Data are limited on autonomic dysfunction differences between the two subtypes, MSA‐C and MSA‐P.ObjectivesTo assess autonomic dysfunction in MSA subtypes and Parkinson's disease (PD) and compare it to healthy controls.MethodsWe conducted a cross‐sectional study. A validated questionnaire (Scales for Outcomes in Parkinson's Disease–Autonomic Dysfunction; SCOPA‐AUT) was used for symptom screening. Cardiovascular autonomic testing included deep breathing (change in heart rate, E: I ratio), Valsalva ratio, diastolic blood pressure (BP) rise (hand grip, cold pressor), and postural (tilt, 30:15 ratio) tests. Disease severity was assessed by the Unified MSA Rating Scale (UMSARS), H & Y stage, and International Parkinson and Movement Disorder Society Unified Parkinson's Disease Rating scale part III.ResultsMSA‐P (48 subjects; age, 63.6 ± 9.7 years; UMSARS, 45.0 ± 16.5), MSA‐C (52 subjects; age, 58.0 ± 8.1 years; UMSARS, 44.0 ± 12.8), PD (50 subjects; age, 57.6 ± 6.7 years), and healthy controls (50 subjects; age, 58.0 ± 8.0 years) were enrolled. MSA patients had higher SCOPA‐AUT scores in gastrointestinal, urinary, cardiovascular, and sexual domains than controls and in gastrointestinal, urinary, and cardiovascular domains compared to PD. The two MSA subtypes did not differ in autonomic dysfunction. Heart‐rate change on tilt and deep breathing, and diastolic BP rise on cold pressor test, differed significantly between MSA and PD patients.ConclusionsAutonomic dysfunction symptomatology and cardiovascular autonomic tests were similar between MSA‐P and MSA‐C patients. Autonomic symptoms were more prominent in MSA than PD. Emphasis on these domains may improve likelihood of accurate clinical diagnosis of MSA at earlier stages.
Atypical features and de novo heterozygous mutations in two siblings with Cockayne syndrome
Authors: Wu Shuiyan , Liu Ying , Zhang Qian , Meng Xiangying , Huang Linlin , Xu Zhong , Zhang Chunxu , Li Ying , Chen Ting , Bai Zhenjiang 
Published: March 2020

AbstractBackgroundCockayne syndrome (CS) is a rare autosomal recessive disorder which displays multiorgan dysfunction, especially within the nervous system including psychomotor retardation, cerebral atrophy, microcephaly, cognitive dysfunction, mental retardation, and seizures. Many genetic variations reported were related to this syndrome, but splicing mutations with cardiac anomalies have not been found in previous studies.MethodsHerein, we described a pair of brothers and sisters who present essential manifestations of CS including premature feature, developmental delay, growth failure, microcephaly, and characteristic facial features, such as sunken eyes and a beaked nose. Interestingly, the brother also presented with atypical features which included cardiac anomalies such as left atrioventricular enlargement and cardiac dysfunction such as dilated cardiomyopathy. In addition, whole exome sequencing and RNA sequencing were employed to analyze their genetic landscape.ResultsWES analysis showed that these two cases carried double unreported heterozygous spliced mutations in the excision repair cross‐complementing group 8 (ERCC8, also known as CSA, NM_000082) gene, which were c.78‐2 (IVS1) A>T and c.1042‐1 (IVS10) G>A, respectively. Moreover, transcript sequencing analysis validated these mutation sites. In this study, Gene Ontology enrichment and KEGG pathway analyses from RNA sequencing demonstrated similarities but some differences when compared with previous studies.ConclusionFor patients with Cockayne syndrome, cardiac changes need to be monitored carefully, especially for cases with splicing mutations of the ERCC8 gene.
High‐order cut discontinuous Galerkin methods with local time stepping for acoustics
Authors: Schoeder Svenja , Sticko Simon , Kreiss Gunilla , Kronbichler Martin 
Published: March 2020

SummaryWe propose a method to solve the acoustic wave equation on an immersed domain using the hybridizable discontinuous Galerkin method for spatial discretization and the arbitrary derivative method with local time stepping (LTS) for time integration. The method is based on a cut finite element approach of high order and uses level set functions to describe curved immersed interfaces. We study under which conditions and to what extent small time step sizes balance cut instabilities, which are present especially for high‐order spatial discretizations. This is done by analyzing eigenvalues and critical time steps for representative cuts. If small time steps cannot prevent cut instabilities, stabilization by means of cell agglomeration is applied and its effects are analyzed in combination with local time step sizes. Based on two examples with general cuts, performance gains of the LTS over the global time stepping are evaluated. We find that LTS combined with cell agglomeration is most robust and efficient.
Psychosocial care for children receiving chimeric antigen receptor (CAR) T‐cell therapy
Authors: Steineck Angela , Wiener Lori , Mack Jennifer W. , Shah Nirali N. , Summers Corinne , Rosenberg Abby R. 
Published: March 2020

AbstractChimeric antigen receptor (CAR) T‐cell therapy has transformed the treatment of relapsed/refractory B‐cell acute lymphoblastic leukemia (ALL). However, this new paradigm has introduced unique considerations specific to the patients receiving CAR T‐cell therapy, including prognostic uncertainty, symptom management, and psychosocial support. With increasing availability, there is a growing need for evidence‐based recommendations that address the specific psychosocial needs of the children who receive CAR T‐cell therapy and their families. To guide and standardize the psychosocial care offered for patients receiving CAR T‐cell therapy, we propose the following recommendations for addressing psychosocial support.
Theoretical investigation on the structure and stability of some neutral noble gas compounds containing Xe‐Xe bond
Authors: Abdeveiszadeh Zeinab , Noorizadeh Siamak 
Published: March 2020

AbstractDFT calculations are performed to investigate the structure, stability, and nature of chemical bonding of some neutral noble gas insertion compounds containing a Xe‐Xe bond; including HXeXeR, FXeXeR as well as RXeXeR (R = CN, NC, CCH, and BS). Geometry optimization of the considered molecules anticipate the existence of just four stable compounds (HXeXeCN, HXeXeNC, FXeXeCN, and FXeXeCCH); and rest of the molecules dissociate during the structural optimization. The results of NBO and AIM calculations show that a H(F)XeXeR molecule has a covalent H(F)‐Xe bond in the H(F)XeXe+ fragment, which is bonded to R− mainly through columbic interaction. Thermodynamic study indicates that all of the considered unimolecular dissociation channels for decomposition of H(F)XeXeR molecules to neutral fragments are both exothermic and exorergic; but dissociation to ionic species (H(F)XeXe+ and R−) is endothermic. Also kinetic study of the most probable dissociation reaction shows that FXeXeR molecules are metastable with respect to the global minimum F‐R + 2Xe. Therefore, FXeXeCN molecule is more kinetically protected against the decomposition reaction than the other molecules and its experimental detection is more likely.
Fragmentation study of clerodane diterpenes from Casearia species by tandem mass spectrometry (quadrupole time‐of‐flight and ion trap)
Authors: Danuello Amanda , de Castro Rogério Cardoso , Pilon Alan Cesar , Bueno Paula Carolina Pires , Pivatto Marcos , Vieira Júnior Gerardo Magela , Carvalho Flávio Alexandre , Oda Fernando Bombarda , Perez Consuelo Javiera , Lopes Norberto Peporine , Dos Santos André Gonzaga , Ifa Demian Rocha , Cavalheiro Alberto José 
Published: March 2020

RationaleClerodane‐type diterpenes from Casearia species show important pharmacological activites such as antitumor, antimicrobial and anti‐inflamatory. There are several mass spectrometry (MS)‐based methods for identification of diterpenes; however, there is still a lack of MS procedures capable of providing characteristic fragmentation pathways for a rapid and unambiguous elucidation of casearin‐like compounds.MethodsCasearin‐like compounds were investigated by electrospray ionization tandem mass spectrometry (ESI‐MS/MS). The fragmentation studies were carried out by tandem mass spectrometry in space (quadrupole time‐of‐flight (QTOF)) using different collision energies and also by tandem mass spectrometry in time (QIT) by selective isolation of product ions.ResultsCasearin‐like compounds presented a predominance of sodium‐ and potassium‐cationized precursor ions. Both QIT and QTOF techniques provided sequential neutral losses of esters related to the R1 to R5 substituents linked to the nucleus of the clerodane diterpenes. The fragmentation pathway is initiated with a cleavage of the ester moieties R2 followed by the elimination of the ester groups R3, both losing neutral carboxylic acids. Using QIT, it was also possible to observe the cleavage of the ester groups R1 or R5 by MS4 experiments.ConclusionsThrough a rational analysis of the fragmentation mechanisms of Casearia diterpenes it was possible to suggest an annotation strategy based on the sequential cleavages of the ester groups related to the R2, R3 and R5 substituents. These results will assist studies of the dereplication and metabolomics involving casearin‐like compounds present in complex extracts of Casearia species.
Polydopamine‐Functionalized Carbon Nanotubes for Pipette‐Tip Micro‐Solid Phase Extraction of Malathion and Parathion from Environmental Samples
Authors: Esrafili Ali , Ghambarian Mahnaz , Tajik Mohammad , Baharfar Mahroo , Tabibpour Mahmoud 
Published: March 2020

AbstractIn this study, a polydopamine‐functionalized multi‐walled carbon nanotube was utilized in an efficient pipette‐tip micro‐solid phase extraction followed by gas chromatography‐mass spectrometry for determination of two organophosphorus pesticides called malathion and parathion. All the effective parameters were optimized using a one variable at‐a‐time protocol. Under the optimal conditions, broad calibration curves were obtained with the linearity in the range between 0.30–200 ng mL−1. Preconcentration factors as high as 42.7 and 47.3 for malathion and parathion, respectively, were obtained along with the relative standard deviations (RSD%) lower than 6.37 %. Real samples analysis was carried out using the optimized technique for quantitative analysis of the target analytes in environmental water samples. Relative recoveries in the range between 89.37–101.22 % show the capability of the method in real sample analysis.
Catalytic Pyrolysis of Guaiacol over Ni/La–Modified Hierarchical HZSM‐5
Authors: Fu Zewu , Shen Qingru , Yao Chunli , Li Rui , Wu Yulong 
Published: March 2020

AbstractCatalytic pyrolysis of guaiacol as a model compound of lignin was conducted to explore the lignin pyrolysis mechanism in this study. The effects of catalyst and temperature on product distribution were studied. Five catalysts were tested including HZSM‐5, hierarchical HZSM‐5, metal‐modified hierarchical HZSM‐5 catalysts. And the Ni/La bimetallic hierarchical HZSM‐5 (NiLa/HZ‐SH) contributes to the achievement of high conversion and selectivity in catalytic pyrolysis of guaiacol. we obtained the yields of monocyclic aromatic hydrocarbons over NiLa/HZ‐SH (550°C): Phenol (23.01%), Benzofuran (6.68%), Salicylaldehyde (1.54%), 2‐Methylphenol (31.48%), 4‐Methylphenol (6.54%), 2‐Ethylphenol (14.89%), 4‐Vinylphenol (1.45%) and Catechol (8.67%), and the maximal yields of these monocyclic aromatic hydrocarbons is 94.26%. Moreover, the yield of polycyclic aromatic hydrocarbons (PAH) as the non‐target product reached a minimum of 1.46% over NiLa/HZ‐SH, while it was 16.88% without catalyst. In addition, catalyst stability was investigated, the reason that led to the decrease of target products could be the acidity and surface area of catalysts decreased as the coke blocked the pore channels, spent catalyst can be successfully regenerated through calcination treatment. Finally, based on the experiment results in this work and other published studies, a guaiacol pyrolysis mechanism was summarized and proposed aiming to understand the lignin pyrolysis process.
Synthesis of 1H‐Indazoles and Quinazolines Using Additive Intermediates of Grignard Reagents to 2‐Amino Benzonitriles
Authors: Zhao Huantian , Huang Jiefang , Zhang Jing , Tang Yu , Zhang Yuanming 
Published: March 2020

AbstractWe have developed a convenient and efficient approach to 1H‐indazoles in one pot under air atmosphere, using additive intermediates of Grignard reagents to 2‐aminobenzonitriles via a FeCl3/Bpy catalyzed N–N coupling. Besides, such intermediates could react with esters in one pot to yield quinazolines promoted by BiCl3/Ph3P. Both 1H‐indazoles and quinazolines were prepared in good to excellent yields. The possible mechanisms for the formation of 1H‐indazoles and quinazolines were proposed.
Determination of Mechanical Properties of Composite Supports Used in Catalytic Membranes for Hydrogen Production and Separation
Authors: DENİZ C. Utku , TÜZÜN F. Nihal 
Published: March 2020

AbstractThis study includes the determination of mechanical properties involving equibiaxial flexural strength, elastic modulus, strain and hardness for composite supports developed to be used in catalytic membranes in order to produce and separate hydrogen. Composite supports are fabricated by mixing acidic, neutral and basic activated alumina types and sodium silicate binder. Three different Si /Al ratios are employed in the study. After preparing the support samples, they are calcined at the temperatures of 6000C and 12000C for 11 hours and 22 hours respectively. At the end of calcination, equibiaxial flexural strength, elastic modulus, strain, hardness and solid density of supports are tested for both temperatures. Generally, higher mechanical properties and solid density results are obtained at 6000C and it is found that neutral alumina gives the best mechanical properties and solid density for Si /Al ratio of 0.648 at 6000C.
A BODIPY‐Hemicyanine‐Based Water‐Soluble Dual‐Color Fluorescence Probe for Colorimetric Monitoring of Intracellular Endogenous Sulfur Dioxide and Bioimaging Applications
Authors: Liu Ying , Wu Yong‐Xiang , Zhang Dailiang , Xi Yang , Yu Shengrong , Zhong Hongmei , He Kangdi , Li Dian , Wei Wen‐Ting , Cao Yuting , Gan Ning 
Published: March 2020

AbstractWe conjugated aldehyde‐BODIPY with the water‐soluble iodopropionic‐acid‐hemicyanine to develop a new dual‐color fluorescence probe (BHC) for selective and sensitive monitoring of endogenous SO2 for the first time. Through excellent water solubility and the unique nucleophilic addition reaction, BHC has a higher selectivity for the colorimetric monitoring of SO2 than other related substances. The resulting probe BHC has red emission, and can be converted to green emission after reacting with SO2. Then the dual‐color fluorescence probe was further applied to image intracellular endogenous generated SO32−/HSO3− by the metabolism of living cells with satisfactory results. This strategy provides a new tool for revealing the metabolism of SO32−/HSO3− and quantifying their distribution in living cells.