bluuebunny/crossref_metadata_2025_split huggingface dataset:
Viscosity model of deep eutectic solvents from group contribution method
Authors: Yu Liu‐Ying , Hou Xiao‐Jing , Ren Gao‐Peng , Wu Ke‐Jun , He Chao‐Hong 
Published: May 2022

AbstractDeep eutectic solvents (DESs), a novel category of sustainable solvents, are expected to achieve the design of the chemical processes without utilizing or generating harmful chemicals. In this work, based on the mathematical model inspired by the transition state theory, the group contribution method is used to accurately predict the viscosity of DESs. The model is constrained by Eyring rate theory and hard sphere free volume theory. A dataset of 2229 experimental viscosity data points of 183 DESs from literature is used to determine the model parameters and subsequently verify the model. The rules introduced by this model are simple and easy to follow. The results show that the proposed model is capable to predict the viscosity of DESs with very high accuracy, using only temperature and composition as inputs. The average absolute relative deviations (AARDs) of the model are 8.12% and 8.64% over the training and test sets, respectively, and the maximum ARD is 34.63%. Therefore, the as‐proposed model can be considered a highly reliable tool for predicting the viscosity of DESs when experimental data are absent. It will provide useful guidance for the synthesis of DESs with specific viscosity to meet different application requirements and promote their industrial‐scale implementation.
Higher Dietary Inflammatory Index scores are associated with brain MRI markers of brain aging: Results from the Framingham Heart Study Offspring cohort*
Authors: Melo Van Lent Debora , Gokingco Hannah , Short Meghan I. , Yuan Changzheng , Jacques Paul F. , Romero José R. , DeCarli Charles S. , Beiser Alexa S. , Seshadri Sudha , Himali Jayandra J. , Jacob Mini E. 
Published: May 2022

AbstractIntroductionWe investigated cross‐sectional associations between the Dietary Inflammatory Index (DII) and measures of brain volume and cerebral small vessel disease among participants of the Framingham Heart Study Offspring cohort.MethodsA total of 1897 participants (mean ± standard deviation, age 62±9) completed Food Frequency Questionnaires and brain magnetic resonance imaging (MRI).ResultsHigher (pro‐inflammatory) DII scores, averaged across a maximum of three time points, were associated with smaller total brain volume (beta ± standard error: –0.16 ± 0.03; P < .0001) after adjustment for demographic, clinical, and lifestyle covariates. In addition, higher DII scores were associated with smaller total gray matter volume (–0.08 ± 0.03; P = .003) and larger lateral ventricular volume (0.04 ± 0.02; P = .03). No associations were observed with other brain MRI measures.
DiscussionOur findings showed associations between higher DII scores and global brain MRI measures. As we are one of the first groups to report on the associations between higher DII scores and brain volume, replication is needed to confirm our findings.
Direct Measurement of Atomic Entanglement via Cavity Photon Statistics
Authors: Meher Nilakantha , Bhattacharya Mishkatul , Jha Anand K. 
Published: May 2022

AbstractAn experimental scheme for the measurement of entanglement between two two‐level atoms is proposed. This scheme requires one of the two entangled atoms to interact with a cavity field dispersively, and it is shown that by measuring the zero time‐delay second‐order coherence function of the cavity field, one can measure the concurrence of an arbitrary Bell‐like atomic two‐qubit state. As this scheme requires only one of the atoms to interact with the measured cavity, the entanglement quantification becomes independent of the location of the other atom. Therefore, this scheme can have important implications for entanglement quantification in distributed quantum systems.
Preparation of Distant Quaternary Carbon Stereocenters by Double Selective Ring‐Opening of 1,1‐Biscyclopropyl Methanol Derivatives
Authors: Siddaraju Yogesh , Sabbatani Juliette , Cohen Anthony , Marek Ilan 
Published: May 2022

AbstractThe diastereoselective double carbometalation reaction of cyclopropenes provides, in a single‐pot operation, two ω‐ene‐[1,1]‐bicyclopropyl ester derivatives. One regioisomer then undergoes a Pd‐catalyzed addition of aryl iodide to provide skipped dienes possessing several distant stereocenters including two congested quaternary carbon centers with excellent diastereoselectivity.
PdFe Single‐Atom Alloy Metallene for N2 Electroreduction
Authors: Li Xingchuan , Shen Peng , Luo Yaojing , Li Yunhe , Guo Yali , Zhang Hu , Chu Ke 
Published: May 2022

AbstractSingle‐atom alloys hold great promise for electrocatalytic nitrogen reduction reaction (NRR), while the comprehensive experimental/theoretical investigations of SAAs for the NRR are still missing. Herein, PdFe1 single‐atom alloy metallene, in which the Fe single atoms are confined on a Pd metallene support, is first developed as an effective and robust NRR electrocatalyst, delivering exceptional NRR performance with an NH3 yield of 111.9 μg h−1 mg−1, a Faradaic efficiency of 37.8 % at −0.2 V (RHE), as well as a long‐term stability for 100 h electrolysis. In‐depth mechanistic investigations by theoretical computations and operando X‐ray absorption/Raman spectroscopy indentify Pd‐coordinated Fe single atoms as active centers to enable efficient N2 activation via N2‐to‐Fe σ‐donation, reduced protonation energy barriers, suppressed hydrogen evolution and excellent thermodynamic stability, thus accounting for the high activity, selectivity and stability of PdFe1 for the NRR.
Atomically Dispersed Janus Nickel Sites on Red Phosphorus for Photocatalytic Overall Water Splitting
Authors: Wang Menglong , Xu Shuai , Zhou Zhaohui , Dong Chung‐Li , Guo Xu , Chen Jeng‐Lung , Huang Yu‐Cheng , Shen Shaohua , Chen Yubin , Guo Liejin , Burda Clemens 
Published: May 2022

AbstractSingle‐atom nickel catalysts hold great promise for photocatalytic water splitting due to their plentiful active sites and cost‐effectiveness. Herein, we adopt a reactive‐group guided strategy to prepare atomically dispersed nickel catalysts on red phosphorus. The hydrothermal treatment of red phosphorus leads to the formation of P−H and P−OH groups, which behave as the reactive functionalities to generate the dual structure of single‐atom P−Ni and P−O−Ni catalytic sites. The produced single‐atom sites provide two different functions: P−Ni for water reduction and P−O−Ni for water oxidation. Benefitting from this specific Janus structure, Ni‐red phosphorus shows an elevated hydrogen evolution rate compared to Ni nanoparticle‐modified red phosphorus under visible‐light irradiation. The hydrogen evolution rate was additionally enhanced with increased reaction temperature, reaching 91.51 μmol h−1 at 70 °C, corresponding to an apparent quantum efficiency of 8.9 % at 420 nm excitation wavelength.
Reusable water‐soluble homogeneous catalyst in aqueous‐phase transfer hydrogenation of N‐heteroarenes with formic acid: Uracil‐based bifunctional Ir‐NHC catalyst is the key
Authors: Maji Babulal , Choudhury Joyanta 
Published: May 2022

AbstractTransfer hydrogenation of N‐heteroarenes was successfully achieved using a water‐soluble half‐sandwich Cp*Ir‐based catalyst containing a uracil‐based bifunctional abnormal NHC ligand, using HCOOH/HCOONa buffer solution as the hydrogen source. Reduction of N‐heteroarenes was shown to be highly pH‐dependent, and an acidic pH = 3.0 was found to be suitable for the best activity. The catalyst showed excellent functional group compatibility and high turnover number (up to 10,400), with catalyst loadings as low as 0.005 mol%. Finally, we demonstrated the catalyst's efficacy and applicability toward reusable and repetitive transfer hydrogenation using liquid/liquid extraction methodology, which underscored the significance of sustainable usage of noble metal catalysts in such transformations.
Transferable shadow cure: A new approach to achieving cationic photopolymerization in light‐restricted areas
Authors: Schissel Sage M. , Jessop Julie L. P. 
Published: May 2022

AbstractTransferable shadow cure is presented as an improved method of shadow cure. In this new method, active centers are formed in one space, and active‐center‐containing monomer is then moved to another space where the bulk of the polymerization proceeds. This transference enables inclusion of pigments and fillers, layering in thick systems, and polymerization in complex geometries. Kinetic analysis of shadow‐cure samples shows conversions consistently ~15% less than comparable light‐cure samples. In addition, shadow‐cure films have a higher Tg and crosslink density than light‐cure films, likely driven by annealing that occurs during the first dynamic mechanical analyzer temperature ramp sequence. A central‐composite design explored the effect of sample depth, effective irradiance, exposure area, and exposure time on conversion and the weight percent of the light‐cure section. The model predicts both responses are maximized by increasing effective irradiance and exposure time and decreasing sample depth, which is consistent with classical photopolymerization kinetics.
Implicit discrete‐time fast terminal sliding mode control with disturbance compensation
Authors: Wang Cong , Xia Hongwei , Wang Yanmin , Ren Shunqing 
Published: May 2022

AbstractIn this paper, an implicit discrete‐time fast terminal sliding mode (DFTSM) control with disturbance compensation is designed and analyzed for uncertain high‐order systems. First, a recursive discrete sliding surface is constructed based on implicit Euler technique, which can completely eliminate discretization chattering so as to significantly reduce the boundary layer of sliding mode motion. With the help of a high‐order disturbance compensator, the accuracy limitation of implicit DFTSM control systems is overcome by increasing the order of sliding mode. Then the finite‐time convergence of implicit DFTSM is proved for the first time, and the influence relationship of control parameters on the convergence speed and control accuracy of the algorithm is established. Finally, two numerical examples are provided to demonstrate the effectiveness and superiority of the proposed design approach.
Speed control strategy of dual flexible servo system considering time‐varying parameters for flexible manipulator with an axially translating arm
Authors: Shang Dongyang , Li Xiaopeng , Yin Meng , Li Fanjie 
Published: May 2022

AbstractMany factors lead to fluctuations of output speed in the motor side during the movement processes in a flexible manipulator with an axially translating arm. These factors include the time‐varying characteristics of manipulator parameters, external disturbance, and flexibility in the manipulator. The vibration of flexible manipulators is strengthened by fluctuations of output speed, which seriously affects the motion accuracy. Therefore, a variable parameters proportional–integral (PI) control strategy based on disturbance observer is adopted to reduce fluctuations of output speed in a dual flexible servo system. First, the dynamic model of the dual flexible servo system is established by the assumed mode method. Then, the variable parameters PI control strategy is applied to the servo system, and the controller parameters in different conditions are selected by pole placement strategies. Finally, numerical simulations and control experiments of the servo system are carried out. The results show that the control strategy using the variable parameters and disturbance observer could reduce fluctuations of output speed and improve the motion accuracy of flexible manipulators.
Developing a consensus statement for psychosocial support in active surveillance for prostate cancer
Authors: Beckmann Kerri , Cahill Declan , Brown Christian , Van Hemelrijck Mieke , Kinsella Netty 
Published: May 2022

AbstractPurposeOur objective was to prioritise the psychosocial support needs of men on active surveillance for prostate cancer and to develop a consensus statement to provide guidance on best practice psychosocial support for men choosing active surveillance and their families.Subjects and methodsWe undertook a patient and public involvement Delphi process over two rounds, informed by qualitative data and a comprehensive literature review, to prioritise the information and support needs of men on active surveillance for prostate cancer. Two panels were surveyed, a patient/carer panel (n = 55) and a health care provider panel (n = 114). Based on the findings of the Delphi surveys, an expert active surveillance discussion group developed a consensus statement to guide best practice.ResultsPatients and health care professionals differed slightly in their ideas concerning priorities for active surveillance psychosocial support. Broadly, agreed priority areas included ‐patients being involved in decision‐making, continuity of care, more streamlined access to health care teams, improved understanding of the risk of prostate cancer progression and information and support provided through both health care professionals and peers. Based on the identified priorities, the expert discussion group agreed on 22 consensus statements for best practice in psychosocial care for active surveillance in respect of (1) principles of an active surveillance programme; (2) structure of consultations; (3) content of information and support; and (4) delivery of information.ConclusionThis consensus statement provides a framework for patient‐focused psychosocial support, which, if adopted, should increase uptake and adherence to active surveillance among men with prostate cancer.
Two spectroscopic methods for estimation of anti‐migraine medications: Sumatriptan and Zolmitriptan based on nucleophilic substitution reaction
Authors: Abo El Abass Samah , Abo Zaid Mona H. , El‐Enany Nahed , Aly Fatma 
Published: May 2022

AbstractSensitive and selective spectrophotometric and spectrofluorimetric methods have been developed for the estimation of two anti‐migraine drugs, namely sumatriptan succinate (SUM) and zolmitriptan (ZOL). These methods depend on producing a yellow‐coloured product after the reaction of the two drugs with 7‐chloro‐4‐nitrobenz‐2‐oxa‐1,3‐diazole (NBD‐Cl). The reaction products exhibited maximum absorbance at 481 nm in borate buffer of pH 9 and fluorescence emission peak at 540 nm after excitation at 470 nm for the two drugs. The linear ranges were 5–60 μg/ml for SUM and 5–50 μg/ml for ZOL in the spectrophotometric method (Method I), whereas this was 0.4–4 μg/ml for SUM and 0.5–5 μg/ml for ZOL in the spectrofluorimetric method (Method II). The method validity was assessed according to International Council for Harmonisation (ICH) guidelines. Statistical analysis of the results obtained from the proposed and comparison methods confirmed that the proposed methods were highly accurate and precise. The suggested methods could be used for the determination of the mentioned drugs in both pure form and in tablets.
Relationship between tumor mutational burden, gene mutation status, and clinical characteristics in 340 cases of lung adenocarcinoma
Authors: Ma Kai , Huang Fengxiang , Wang Yin , Kang Yan , Wang Qilong , Tang Jiaqi , Sun Panfeng , Lou Jiaojiao , Qiao Ruiping , Si Jiming , Cao Jian , Miao Lijun 
Published: May 2022

AbstractTumor mutational burden (TMB) is an emerging predictive marker of response to immune checkpoint inhibitor therapies. We evaluated the correlation between clinical indicators and high‐throughput sequencing results and TMB in lung adenocarcinoma patients, with the aim of finding simpler and more economical factors as surrogate markers for TMB.The medical records, next‐generation sequencing data, and immunohistochemistry results of 340 lung adenocarcinoma patients who were admitted to the First Affiliated Hospital of Zhengzhou University between 2019 and 2020 were collected. The mutated genes were screened for, and the obtained mutated genes were subjected to functional enrichment analysis using R software. A protein–protein interaction (PPI) network was also constructed, and significant modules in the network were identified. Gene Ontology (GO) analyses were performed for the core genes. Univariate and multivariate correlation analyses were performed to judge the correlation between gene mutations and TMB.Genes with a junction mutation rate >1 were selected to construct PPI network and 13 high‐connection core genes were screened. The results of GO enrichment analysis showed that the biological processes related to mutant core genes mainly included mitotic cell cycle and cell aging. Subsequently, ATM (p = 0.006) and PIK3CA (p = 0.008) mutation positivity were identified by univariate and multivariate correlation analysis, while TP53 (p = 0.003) and EGFR (p = 0.008) mutation negativity were significantly associated with elevated TMB.The results of this study demonstrate that ATM‐ and PIK3CA‐positive and EGFR‐negative mutation status are strongly associated with high levels of TMB and have the potential to be predictive biomarkers of response to immune checkpoint inhibitors in lung adenocarcinoma patients.
Case of impacted subglottic metallic foreign body removal without tracheostomy through an endotracheal tube
Authors: Kim Minju , Park Haechan , Kwon Seong Keun 
Published: May 2022

AbstractA foreign body in the upper airway can cause serious morbidity and mortality, especially in pediatric patients. This case report describes an innovative way to remove an impacted foreign body distal to the vocal folds through an endotracheal tube without tracheostomy.
A very rare case of splenosis and acquired chronic non‐cirrhotic portal vein thrombosis with cavernous transformation
Authors: Kadyrova Aliya , Baudinov Iliar , Mamytova Elmira , Ibraimov Kubat , Arzykulov Tynarbek , Mamatov Sagynali , Vityala Yethindra , Tagaev Tugolbai 
Published: May 2022

AbstractWe present a clinical case of a young woman who underwent splenectomy for thrombocytopenic splenomegaly at the age of 7 years. An acute diagnostic picture of splenosis of the left epigastric region and chronic non‐cirrhotic portal vein thrombosis with cavernous transformation was found 20 years later.
X‐Ray‐Based Tomographic Imaging for the Investigation of Laminar Mixing in Capillaries
Authors: Schuler Julia , Herath Jakob , Kockmann Norbert 
Published: May 2022

AbstractMicro‐computed tomography is a promising non‐invasive imaging technology that offers high spatial resolution without requiring optical access. This opens the opportunity to analyze concentration fields in mixing equipment in 3D. To demonstrate the potential of the methodology, laminar mixing in helically coiled capillaries is investigated by tracking the radial distribution of potassium iodide along the main flow direction. Dean flow can be observed in the helically coiled capillaries, which intensifies with Reynolds number and decreasing effect of gravity.
Sensitive Detection of Halides and Nitrate in Organic and Aqueous Solvents through Selective Halogen Bonding on TTF‐SAM‐Modified Platinum Electrodes
Authors: Hijazi Hussein , Levillain Eric , Schöllhorn Bernd , Fave Claire 
Published: May 2022

AbstractTetrathiafulvalene derivatives were chemisorbed on platinum electrodes. The electrochemical behavior and the stability of the resulting redox active self‐assembled monolayers in the presence of various anions was studied by cyclic voltammetry. The particularly stable modified electrodes showed a high sensitivity for the detection of halides and nitrate in aprotic and aqueous solvents.
Electrooxidation of Alcohols on Mixed Copper–Cobalt Hydroxycarbonates in Alkaline Solution
Authors: Braun Michael , Behrendt Gereon , Krebs Moritz L. , Dimitri Patricia , Kumar Piyush , Sanjuán Ignacio , Cychy Steffen , Brix Ann Cathrin , Morales Dulce M. , Hörlöck Jennifer , Hartke Bernd , Muhler Martin , Schuhmann Wolfgang , Behrens Malte , Andronescu Corina 
Published: May 2022

AbstractMixed Cu‐Co hydroxycarbonates of the type (Cu1–xCox)2CO3(OH)2 have been synthesized over the whole range of Cu‐Co substitution (0≤x≤1) by co‐precipitation and their electrocatalytic activity in the oxidation reactions of ethanol (EOR), ethylene glycol (EGOR) and glycerol (GOR) in alkaline environment was evaluated to retrieve composition–activity correlations. Generally, cobalt incorporation led to higher activities for the alcohol oxidation (AOR) compared to the Cu‐only material and the results are compared with the competing oxygen evolution reaction (OER). On the Cu‐Co hydroxycarbonates, the electrooxidation of vicinal alcohols such as glycerol and ethylene glycol requires lower overpotentials than EOR and OER. Cu leaching from the hydroxycarbonate structure was observed in the presence of vicinal alcohols. The impact of chemical and electrochemical leaching of copper from the catalysts has been studied. The chemically leached catalyst was found to show increased AOR activity compared to other hydroxycarbonates, enabling the formation of larger amounts of formic acid during GOR measured in a circular flow cell electrolyzer. The results highlight that Cu‐Co hydroxycarbonates can be used as precursors to generate electrocatalytically active materials from Cu‐Co hydroxycarbonates for the AOR in alkaline solution.
Luminescent Organic‐Inorganic Hybrid Metal Halides: An Emerging Class of Stimuli‐Responsive Materials
Authors: Wang Zeping , Huang Xiaoying 
Published: May 2022

AbstractLuminescent organic‐inorganic metal halides (OIMHs) are well known as a new materials family in recent years. Novel materials and applications of luminescent OIMHs have been explored by changing either the organic component or the metal halide species. Thereinto, the stimuli‐responsive (SR) phenomena in OIMHs have drawn much attention recently, for not only their attractive application potential but also the helpfulness in understanding the stability of OIMHs to the external environment. Herein, the luminescent OIMHs that are sensitive to external stimuli including contact, pressure, mechanical grinding, light, heat, and gas molecules, are reviewed, with an emphasis on analyses of the structural change during the SR process. The applications of SR luminescent OIMHs in widespread fields, including gas sensing, information encryption, and rewritable luminescent paper are summarized. Finally, the challenges that deserve to be further explored in this research field are discussed, which provides certain guidance for the future study of SR luminescent OIMHs.
Organocatalyzed asymmetric dearomative 1,3‐dipolar cycloaddition of 2‐nitrobenzofurans and N‐2,2,2‐trifluoroethylisatin ketimines
Authors: Zhou Xiao‐Jian , Zhao Jian‐Qiang , Lai Yue‐Qin , You Yong , Wang Zhen‐Hua , Yuan Wei‐Cheng 
Published: May 2022

AbstractA readily available chiral cyclohexanediamine‐derived bifunctional tertiary amine‐squaramide catalyst is more effective for the asymmetric dearomative 1,3‐dipolar cycloaddition of 2‐nitrobenzofurans and N‐2,2,2‐trifluoroethylisatin ketimines. A range of structurally diverse spiro‐fused polyheterocyclic compounds containing oxindole, pyrrolidine, and hydrobenzofuran motifs were smoothly obtained in excellent results (up to 99% yield, >20:1 dr in all cases and up to 99% ee). This method features high efficiency, mild reaction conditions, exquisite asymmetric induction, wide functional group tolerance, great potential for scale‐up synthesis, and attractive product diversification.
Who Established the First Law of Thermodynamics?
Authors: Mitrovic Jovan 
Published: May 2022

AbstractThe first law of thermodynamics is believed to have been developed almost simultaneously by Julius Robert Mayer and James Prescot Joule in the 1840s. However, a closer look at history shows that this notion is not tenable. James Watt had a clear vision of energy conversion and conservation. In his 1769 patent, he laid down the foundations for the first law of thermodynamics, which was published in 1774. Watt did not use ordinary language to express his thoughts, but rather drawings that visualized his ideas. In accordance with his understanding of the first law, he conceived the technology of the steam engine.