bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimization of quasi‐diffusion magnetic resonance imaging for quantitative accuracy and time‐efficient acquisition
Authors: Spilling Catherine A. , Howe Franklyn A. , Barrick Thomas R. 
Published: September 2022

PurposeQuasi‐diffusion MRI (QDI) is a novel quantitative technique based on the continuous time random walk model of diffusion dynamics. QDI provides estimates of the diffusion coefficient, in mm2 s−1 and a fractional exponent, , defining the non‐Gaussianity of the diffusion signal decay. Here, the b‐value selection for rapid clinical acquisition of QDI tensor imaging (QDTI) data is optimized.MethodsClinically appropriate QDTI acquisitions were optimized in healthy volunteers with respect to a multi‐b‐value reference (MbR) dataset comprising 29 diffusion‐sensitized images arrayed between and 5000 s mm−2. The effects of varying maximum b‐value (), number of b‐value shells, and the effects of Rician noise were investigated.ResultsQDTI measures showed dependence, most significantly for in white matter, which monotonically decreased with higher leading to improved tissue contrast. Optimized 2 b‐value shell acquisitions showed small systematic differences in QDTI measures relative to MbR values, with overestimation of and underestimation of in white matter, and overestimation of and anisotropies in gray and white matter. Additional shells improved the accuracy, precision, and reliability of QDTI estimates with 3 and 4 shells at s mm−2, and 4 b‐value shells at s mm−2, providing minimal bias in and compared to the MbR.ConclusionA highly detailed optimization of non‐Gaussian dMRI for in vivo brain imaging was performed. QDI provided robust parameterization of non‐Gaussian diffusion signal decay in clinically feasible imaging times with high reliability, accuracy, and precision of QDTI measures.
Dosimetric comparison of AcurosBV with AAPM TG43 dose calculation formalism in cervical intraductal high‐dose‐rate brachytherapy using three different applicators
Authors: Bi Su‐yan , Chen Zhi‐jian , Sun Xing‐ru , Dai Zhi‐tao 
Published: September 2022

AbstractPurposeTo compare the dosimetric effects of American Association of Physicists in Medicine (AAPM) TG43 dose formalism and AcurosBV (grid‐based Boltzmann solver, GBBS) formalism on high‐dose‐rate (HDR) brachytherapy planning for cervical cancer patients irradiated using three different applicators.MethodsA TG43 plan and a AcurosBV plan were generated for each of the 30 patients. Twenty patients who had undergone whole pelvic radiotherapy followed by cervical HDR brachytherapy and the remaining 10 patients who underwent total hysterectomy only gave HDR brachytherapy also were enrolled in this study. The patients were divided into three groups according to the types of applicators used: tandem and ovoid (T&O), tandem and ring (T&R), and cylinder. To compare the dosimetric parameters, the cumulative dose‐volume histograms (DVHs) were measured. We also compared the doses at 90% of the volume (D90%), the volume receiving 100% and 150% of the prescribed dose (V100% and V150%) for the clinical target volume (CTV‐HR), and the doses of point A, the dose receiving 0.1 and 2 cc of the volume (D0.1cc and D2cc) for the organs‐at‐risk (OARs).ResultsCompared with the AcurosBV plans, TG43 plans predicted higher D90%, V100%, and V150% of CTV‐HR, dose of point A, and D0.1cc and D2cc of OARs in three types of applicators. Except D2cc of sigmoid in T&R and cylinder applicators, the D90%, V100%, and V150% of CTV‐HR; the dose of point A and the D0.1cc and D2cc of bladder, rectum, and small bowel exhibited significant discrepancies (all p < 0.05). The effects of the three types of applicators on the dose distribution were quite different due to the differences in the materials: The dose difference of CTV‐HR and OARs was greatest (around 10%) for T&O applicators but only 1–5% for T&R and cylinder applicators.ConclusionsAcurosBV was more accurate in calculating the doses in the air cavity and high‐density substance than TG43. In the clinical setting, AcurosBV exhibited different dosimetric distributions in the cervix plans for HDR brachytherapy, especially in treatment planning when using T&O applicators. The AcurosBV algorithm should be considered when using T&O applicators or other materials with a much higher or lower density (metal or air) than soft tissue. However, If the density is close to that of soft tissue, considering AcurosBV algorithm requires more calculation time, TG43 could still be selected when using applicators in clinical.
Metabolic clearance of select opioids and opioid antagonists using hepatic spheroids and recombinant cytochrome P450 enzymes
Authors: Tuet Wing Y. , Pierce Samuel A. , Conroy Matthieu , Vignola Justin N. , Tressler Justin , diTargiani Robert C. , McCranor Bryan J. , Wong Benjamin 
Published: September 2022

AbstractThe opioid crisis is a pressing public health issue, exacerbated by the emergence of more potent synthetic opioids, particularly fentanyl and its analogs. While competitive antagonists exist, their efficacy against synthetic opioids is largely unknown. Furthermore, due to the short durations of action of current antagonists, renarcotization remains a concern. In this study, metabolic activity was characterized for fentanyl‐class opioids and common opioid antagonists using multiple in vitro systems, namely, cytochrome P450 (CYP) enzymes and hepatic spheroids, after which an in vitro‐in vivo correlation was applied to convert in vitro metabolic activity to predictive in vivo intrinsic clearance. For all substrates, intrinsic hepatic metabolism was higher than the composite of CYP activities, due to fundamental differences between whole cells and single enzymatic reactions. Of the CYP isozymes investigated, 3A4 yielded the highest absolute and relative metabolism across all substrates, with largely negligible contributions from 2D6 and 2C19. Comparative analysis highlighted elevated lipophilicity and diminished CYP3A4 activity as potential considerations for the development of more efficacious opioid antagonists. Finally, antagonists with a high degree of molecular similarity exhibited comparable clearance, providing a basis for structure‐metabolism relationships. Together, these results provide multiple screening criteria for early stage drug discovery involving opioid countermeasures.
Age patterns of net migration and urbanisation dynamics across European municipalities
Authors: Ghio Daniela , Bosco Claudio , Natale Fabrizio , Loeschner Jan , Goujon Anne 
Published: September 2022

AbstractAcross the European Union (EU) Local Administrative Units (LAUs), populations are experiencing persisting differences in their age structures that can only be interpreted accounting for migration and mobility components. Yet, in the absence of census data, migration patterns of local populations are not available from EU‐official statistics. To fill the gaps, we firstly combine census data with statistics available from the National Statistical Institutes of the EU‐Member Sates in a harmonised database on age‐specific population structures, covering all EU‐LAUs for the period 2011−2019. Secondly, we apply model life tables to assess changes by cohort over the intercensal period and provide estimates of age‐specific net migration rates at LAU levels. The analysis reveals how migration dynamics vary along demographic patterns and to what extent differences are related to the degree of urbanisation and territorial characteristics (distance from city centres, remoteness, population change, GDP per‐capita and poverty level) across the EU municipalities.
An exposure‐response analysis of ponesimod clinical efficacy in a randomized phase III study in patients with relapsing multiple sclerosis
Authors: Valenzuela Belén , Olsson Gisleskog Per , Poggesi Italo , Sidorenko Tatiana , Burcklen Michel , Kracker Hilke , Pérez‐Ruixo Juan Jose 
Published: September 2022

AbstractThe efficacy of ponesimod and teriflunomide for the treatment of relapsing multiple sclerosis (MS) was compared in a randomized phase III trial. This study explores the exposure‐response (E‐R) relationships of efficacy end points (annualized relapse rate [ARR] and combined unique active lesions [CUALs]) of ponesimod observed in this trial. The E‐R relationships were described using nonlinear mixed effects models for count data. The effect of baseline covariates (demography and prognostic factors) was also explored. Ponesimod 20 mg reduced ARR (primary end point) by 30.5% (95% confidence interval [CI]: 9.8% to 46.4%) and the number of CUALs by 56% (95% CI: 46% to 64%) between baseline and week 108 compared to teriflunomide 14 mg. The E‐R analyses indicated a significant relationship between ARR and CUAL. In turn, CUAL was significantly related to ponesimod systemic exposure. Based on these relationships, the predicted reduction of ARR was relatively flat in the range of ponesimod systemic exposure achieved with the 20 mg clinical dose: the expected ARR decrease ranged from 28% (95% CI: 11% to 42%) at the 5th percentile of ponesimod exposure to 34% (95% CI: 19% to 47%) at the 95th percentile. No significant baseline covariates affected the ponesimod effects and, consequently, dosage adjustments are not warranted by these analyses. Although significant relationships were found between ARR and CUAL and between ponesimod exposure and CUAL, these analyses were supportive of the use of a flat 20 mg maintenance dose for ponesimod in adult patients with MS.
The impact of the COVID‐19 pandemic on the care of pulmonary hypertension patients outside the Hubei province in China
Authors: Chen Yuqin , Zhong Bihua , Jiang Qian , Chen Yilin , He Wenjun , Lai Ning , Zhou Dansha , He Jiahao , Yao Yiting , Shen Yi , Li Juan , Yang Jianuo , Zhang Zhe , Ma Ran , Wang Jian , Liu Chunli 
Published: September 2022

AbstractThe Coronavirus disease 2019 (COVID‐19) pandemic has severely affected the lives of people around the world, especially some patients with severe chronic diseases. This study aims to evaluate the impact of the COVID‐19 outbreak from December 2019 to April 2020 on treating patients with PH. A questionnaire regarding the medical condition of PH patients during the COVID‐19 pandemic was designed by PH diagnostic experts in The First Affiliated Hospital of Guangzhou Medical University, China Respiratory Center. One hundred and fifty‐six subjects with PH from non‐Hubei regions in China were invited to participate in this survey online. 63.4% (n = 99) of them had difficulty seeing a doctor, and the main reason was fear of contracting severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) in the hospital. Medical treatment was affected in 25% (n = 39) of patients, and who lived in rural areas, and discontinued medical therapy for financial reasons were at a higher risk of medical treatment being affected. Patients who reduced nutrition, and had difficulty seeing a doctor were more likely to get deteriorated. During the epidemic, the hospitalization rate of PH patients was 33.33%. Patients with aggravated PH had a high risk of hospitalization (odds ratio [OR] = 2.844), while patients who visited a doctor during the epidemic reduced the risk of hospitalization (OR = 0.33). In conclusion, during the COVID‐19 pandemic, PH patients had difficulty seeing a doctor, and their medical treatment was affected, even worsened, and increased the risk of hospitalization.
Association between income and likelihood of right heart catheterization in individuals with pulmonary hypertension: A US claims database analysis
Authors: Schikowski Erin M. , Swabe Gretchen , Chan Stephen Y. , Magnani Jared W. 
Published: September 2022

AbstractWe used a US‐based administrative claims database to determine associations between annual household income and the likelihood of right heart catheterization (RHC) among individuals with pulmonary hypertension. Those with annual household income < $40,000 were 19% less likely to receive RHC compared to individuals with annual household income ≥ $100,000 (p < 0.0001).
Riociguat in children with pulmonary arterial hypertension: The PATENT–CHILD study
Authors: García Aguilar Humberto , Gorenflo Matthias , Ivy D. Dunbar , Moledina Shahin , Castaldi Biagio , Ishida Hidekazu , Cześniewicz Paweł , Kusa Jacek , Miera Oliver , Pattathu Joseph , Weng Ken‐Pen , Ablonczy Laszlo , Apitz Christian , Katona Marta , Kurosaki Kenichi , Pulido Tomas , Yamagishi Hiroyuki , Yasuda Kazushi , Cisternas Galia , Goth Melanie , Lippert Susanne , Radomskyj Anna , Saleh Soundos , Willmann Stefan , Wirsching Gabriela , Bonnet Damien , Beghetti Maurice 
Published: September 2022

AbstractRiociguat, a soluble guanylate cyclase stimulator, is approved for treatment of adults with pulmonary arterial hypertension (PAH). The safety, tolerability, and pharmacokinetics (PK) of oral riociguat in a pediatric population with PAH was assessed in PATENT–CHILD (NCT02562235), a multicenter, single‐arm, 24‐week, open‐label, Phase 3 study. Patients aged 6–17 years in World Health Organization functional class (WHO‐FC) I–III treated with stable endothelin receptor antagonists and/or prostacyclin analogs received riociguat equivalent to 0.5–2.5 mg three times daily in adults, as either oral pediatric suspension or tablets, based on bodyweight. Primary outcomes were safety, tolerability, and PK of riociguat. Twenty‐four patients (mean age 12.8 years), 18 of whom were in WHO‐FC II, were enrolled. Adverse events (AEs), mostly mild or moderate, were reported in 20 patients (83%). Four patients (17%) experienced a serious AE; all resolved by study end and two (8%) were considered study‐drug related. Hypotension was reported in three patients and hemoptysis in one (all mild/moderate intensity). Riociguat plasma concentrations in pediatric patients were consistent with those published in adult patients. From baseline to Week 24, mean ± standard deviation increase in 6‐minute walking distance was 23 ± 69 m (n = 19), and mean decrease in NT‐proBNP was –66 ± 585 pg/ml (n = 14). There was no change in WHO‐FC. Two patients experienced clinical worsening events of hospitalization for right heart failure. PK results confirmed a suitable riociguat dosing strategy for pediatric patients with PAH. The data suggest an acceptable safety profile with potential efficacy signals.
Photo‐Mediated Reduction of Carbon Dioxide to Formic and Other Carboxylic Acids by Ni‐Catalysis with Chelating Ligand
Authors: Das Anjan , Mondal Moumita 
Published: September 2022

AbstractWith ever increasing demand of carbon capture and utilization (CCU), conversion of CO2 to fuel and fine chemicals by light mediated process has become a topic of outmost importance. Several catalytic systems have been developed to overcome the thermodynamic and kinetic barrier of conversion of abundant and sustainable carbon feed stock CO2 to value added chemicals such as CO, HCOOH, CH3OH, carboxylic acids and others. Ni is often found in center of such catalytic systems for photo mediated conversion of CO2, giving good yield and selectivity. Reduction of CO2 to CO is most common while discussing such catalytic systems encompassing Ni. But insertion of CO2 into Ni−H/Ni−C bond leading to formic or other carboxylic acids has established its own importance in green chemistry. Formic acid is a prospective green fuel as well as it is an important starting material for many industries. Similarly carboxylic acids and derivatives are widely used in the manufacture of pharmaceutical, pesticide, dye, and other fine chemicals. Alternative green synthesis of these chemicals via photo‐mediated nickel catalysis using CO2 is highly desirable. Several energetically accessible oxidation states of nickel promote single electron transfer (SET) with help of chelating ligands, which are the key steps for this process to occur. This review will focus on photo assisted conversion of CO2 to formic and other carboxylic acids by nickel catalysis with chelating ligand.
Strategies Involved in Enhancing the Capacitive Energy Storage Characteristics of Poly(vinylidene fluoride) Based Flexible Composites
Authors: Sasmal Abhishek , Sen Shrabanee , Arockiarajan Arunachalakasi 
Published: September 2022

AbstractFunctional Materials and Devices Division (FMDD) With the progress of the daily lifestyle of modern human being, the need for flexible dielectric energy storage devices for high field applications has become inevitable. PVDF and its co‐polymers, which exhibit excellent flexibility, high breakdown strength, good piezoelectric and ferroelectric properties and low cost, have become very useful in this purpose and hence being investigated widely all over the world. Different strategies including versatile device fabrication techniques and momentous materials engineering have been employed to promote the energy storage characteristics of PVDF based composites. In this paper, we review the current trend of research in the field of PVDF based energy storage devices with the main focus on the strategies involved in enhancing their energy storage performance. Upon extensive literature survey, it has been found that the breakdown characteristics of the composite films are the main determining factor of their high field energy storage applications. The strategies, which can enhance the said performance of PVDF‐based composites, have been elaborately discussed here step‐by‐step and the fruitful approaches for the desired performance enhancement have been proposed. Considering the numerous attraction of research in this field, the gaps and huge future scopes of research have also been comprehensively discussed here.
Highly Selective Adsorption of Cationic Dye by An Anionic Zinc‐Organic Framework
Authors: Zhao Si‐Si , Sun Qi , Liu Tong , Zhang Hang , Wang Yi‐Peng , Zhang Tong‐Xin , Liu Xin‐Xin , Li Wen‐Cui , Zhao Zhen 
Published: September 2022

AbstractA MOF named [(CH3)NH2] [H2N(CH3)2][ZnTNC4A] ⋅ 4H2O (ZnTNC4A) was synthesized by a resorcinol[4]arene functionalized tetracarboxylic acid ligand (TNC4A=2,8,14,20‐tetra‐1‐naphthalene‐6,12,18,24‐tetramethoxy‐4,10,16,22‐ tetracarboxyl‐methoxy‐resorin[4]arene). The three‐dimensional framework with one‐dimensional channels of ZnTNC4A was characterized by elemental analysis, powder X‐ray diffraction, thermogravimetry, UV‐vis diffuse reflection spectrum, infrared spectrum and N2 adsorption analyse. In addition, ZnTNC4A shows the ability of selective adsorption of methylene blue with a pseudo‐second order kinetic model. The selective adsorption kinetics of a series of dyes showed that the ion exchanged separation process was related to the size and charge of organic dyes.
Synthesis of Isoquinolines via the [4+2] Cycloaddition Reaction of Oxazoles and Arynes
Authors: Silva Tamiris R. C. , Souza Vinícius V. , Raminelli Cristiano 
Published: September 2022

AbstractHerein, we report our investigations on the reaction of a variety of substituted oxazoles with o‐(trimethylsilyl)aryl triflates promoted by potassium fluoride and 18‐crown‐6‐ether. Several functionalized isoquinoline compounds were obtained in moderate to good yields when the transformation was carried out at room temperature, followed by acidic workup, presumably via a [4+2] cycloaddition‐ring‐opening reaction pathway. Alternatively, bicyclic ethers were produced in reasonable yields when performing the transformation at 60 °C via a sequence of [4+2] cycloaddition, retro‐Diels‐Alder, and [4+2] cycloaddition reactions.
Highly Efficient and Selective Visible‐Light Driven Photoreduction of CO2 to CO by Metal–Organic Frameworks‐Derived NiCoO Porous Microrods
Authors: Yang Hongli , Zhang Dongdong , Luo Yong , Yang Wenxiang , Zhan Xiaoqiang , Yang Weiyou , Hou Huilin 
Published: September 2022

AbstractPhotocatalytic CO2 reduction by solar energy into carbonaceous feedstock chemicals is recognized as one of the effective ways to mitigate both the energy crisis and greenhouse effect, which fundamentally relies on the development of advanced photocatalysts. Here, the exploration of porous microrod photocatalysts based on novel NiCoO solid solutions derived from bimetallic metal–organic frameworks (MOFs) is reported. They exhibit overall enhanced photocatalytic performance with both high activity and remarkable selectivity for reducing CO2 into CO under visible‐light irradiation, which are superior to most related photocatalysts reported. Accordingly, the Ni0.2‐Co0.8‐O microrod (MR‐N0.2C0.8O) photocatalyst delivers high efficiency for photocatalytic CO2 reduction into CO at a rate up to ≈277 µmol g–1 h–1, which is ≈35 times to that of its NiO counterpart. Furthermore, they display a high selectivity of ≈85.12%, which is not only better than that of synthesized Co3O4 (61.25%) but also superior to that of reported Co3O4‐based photocatalysts. It is confirmed that the Co and Ni species are responsible for CO2CO conversion activity and selectivity, respectively. In addition, it is verified, by adjusting the Ni contents, that the band structure of NiCoO microrods can be tailored with favorable reduction band potentials, which thus enhance the selectivity toward CO2 photoreduction.
Highly Photosensitive Lead Sulfide Thin Films Grown by H2S Free MOCVD Using a Single Source Metal‐Organic Precursor
Authors: Agbenyeke Raphael Edem , Shin Sunyoung , Song Dasom , Yeo Sojeong , Park Bo Keun , Chung Taek‐Mo , Lim Jongsun , Song Wooseok , Kim Chang Gyoun 
Published: September 2022

AbstractHigh‐quality lead sulfide (PbS) films are deposited on selected substrate chemistries by an H2S‐free metal‐organic chemical vapor deposition (MOCVD) process using a single‐source metal‐organic complex (Pb(dmampS)2). The complex is synthesized via a salt metathesis reaction between PbCl2 and lithium 1‐(dimethylamino)‐2‐methylpropane‐2‐thiolate (Li(dmampS)) in diethyl ether. Subsequent film deposition is conducted by a simple thermolysis process in the absence of H2S, yet chemical and structural analysis confirm chemically stoichiometric and homogenous films. Mechanistic studies with electron impact mass spectroscopy (EIMS) and gas chromatography mass spectroscopy (GCMS) suggest the selective cleavage of C−S bonds in the complex as the reason for the facile PbS formation with negligible impurity incorporation. The high crystallinity, low hole concentrations, and charge transport properties comparable and in many cases superior to films produced by atomic layer deposition (ALD) testify to the quality of the films. Lastly, rigid and flexible photodetectors fabricated with the PbS films exhibit considerably high photocurrents, reliable switching characteristics, and high sensitivity over a broad spectral bandwidth, highlighting the potential for realizing practical broadband photodetectors.
1D@2D Hierarchical Structures of Co(OH)x Nanosheets on NiMoOx Nanorods Can Mediate Alkaline Hydrogen Evolution with Industry‐Level Current Density and Stability
Authors: Sun Kai Zhi , Wen Chun Fang , Qu Xue , Liu Peng Fei , Yang Hua Gui 
Published: September 2022

AbstractDeveloping efficient electrocatalysts at ampere‐scale current densities is of paramount importance to advance industrial applications of alkaline water electrolysis. Herein, a hierarchical nanostructured electrocatalyst with two‐dimensional Co(OH)x nanosheets grown on one‐dimensional NiMoOx nanorods over three‐dimensional porous Ni foam substrate is designed. The resulting catalyst delivers ultrahigh hydrogen evolution reaction (HER) activity in the alkaline solution, which only requires overpotentials of 185 and 332 mV to achieve the current densities of −500 and −1000 mA cm–2 in 1.0 m KOH, respectively, and shows robust stability at −1000 mA cm–2 for 11 days. The unique 1D @ 2D hierarchical structures with abundant hetero‐interfaces can not only expose sufficient active sites but also boost alkaline HER kinetics with fast water dissociation ability. This present work may pave a new insight to design efficient electrocatalysts with hierarchical structures for alkaline HER with industry‐level current density and stability.