bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study on the Flame Acceleration and Transition from Deflagration to Detonation of N2O/C2H4/CO2
Authors: Li Yuyan , Xu Sen , Jiang Rongpei 
Published: April 2022

AbstractThe application of nitrous oxide (N2O) as a candidate oxidant provides new opportunities for green propellants and propulsion systems. In this study, flame propagation, acceleration, and transition to detonation characteristics of stoichiometric N2O/C2H4 diluted with CO2 were investigated in 2 m cylindrical channels at 1 atm and 293 K. The flame propagation and acceleration were monitored by a high‐speed video. Pressure transducers were located at different positions along the channel to collect data concerning DDT and detonation development. The influence rules of various mass fractions of CO2 on the above performance were evaluated. The results indicated that the process of flame propagation for N2O/C2H4 was divided into three stages, ignition stage, DDT and detonation stage. Both the process of flame acceleration (FA) and peak overpressure for all the test mixtures decreased with an increase of CO2 concentration in the initial stage, and detonation wave propagation was stabilized with the increase of CO2, then the corresponding propagation velocity was close to the C−J velocity.
Predicting Melt Curves of Energetic Materials Using Molecular Models
Authors: Tow Garrett M. , Larentzos James P. , Sellers Michael S. , Lísal Martin , Brennan John K. 
Published: April 2022

AbstractIn this work, the solid–liquid coexistence curves of classical fully flexible atomistic models of α‐RDX and β‐HMX were calculated using thermodynamically rigorous methodologies that identify where the free energy difference between the phases is zero. The free energy difference between each phase at a given state point was computed using the pseudosupercritical path (PSCP) method, and Gibbs–Helmholtz integration was used to evaluate the solid–liquid free energy difference as a function of temperature. This procedure was repeated for several pressures to determine points along the coexistence curve, which were then fit to the Simon–Glatzel functional form. While effective, this method is computationally expensive. An alternative approach is to compute the melting point at a single pressure via the PSCP method, and then use the Gibbs–Duhem integration technique to trace out the coexistence curve in a more computationally economical manner. Both approaches were used to determine the coexistence curve of α‐RDX. The Gibbs–Duhem integration method was shown to generate a melt curve that is in good agreement with the PSCP‐derived melt curve, while only costing ∼10 % of the computational resources used for the PSCP method. For α‐RDX, the predicted melting temperature increases significantly more for a given increase in pressure when compared to available experimental data.
Effect of straw incorporation and nitrification inhibitor on nitrous oxide emission in three cropland soils
Authors: Zhang Ya‐Bo , Liu Feng , Wang Jun‐Tao , Hu Hang‐Wei , He Ji‐Zheng , Zhang Li‐Mei 
Published: April 2022

AbstractIntroductionNitrification inhibitors and straw incorporation are used to reduce microbial mediated nitrogen (N) losses, thereby increasing N use efficiency (NUE) in cropland soil, but their effects on nitrous oxide (N2O) emission across different soil types and the underlying molecular mechanisms remain less understood.Materials and MethodsIn this study, we investigated how nitrification inhibitor nitrapyrin and straw incorporation affected soil N balance, N2O emission, nitrifiers and denitrifiers in three cropland soils (black, fluvo‐aquic and red soils).ResultsCompared with fertilization‐only treatment (N), nitrapyrin addition increased ammonium, while it decreased nitrate concentration in all soils; however, the performance of straw incorporation was less significant. Nitrapyrin decreased N2O emission only in the fluvo‐aquic soil, while straw incorporation strongly increased N2O emission in the red soil. Terminal restriction fragment length polymorphism analysis revealed that the denitrifier community was distinct across the three soils, but not strongly structured by nitrapyrin or straw incorporation. Compared with the N treatment, straw incorporation and nitrapyrin increased nosZ gene abundance only in the black soil. Structural equational modelling further confirmed that, after accounting for different soil properties, straw incorporation significantly increased N2O emission from black and red soils, and a decrease in nosZ gene abundance was the main biological factor for increased N2O emission in red soil.ConclusionTaken together, our work provides new knowledge that the performance of nitrification inhibitor and straw incorporation on N2O emission is soil type‐dependent, and management practices should be used as per soil type to balance NUE and N2O emission.
Recent Advances in Transition Metal Catalyzed Synthesis of β‐Enaminones and β‐Enaminoesters
Authors: Wang Yeming , Zhang Chaoqun , Li Shizhe , Liu Lihui , Feng Xiaodong 
Published: April 2022

Abstractβ‐Enaminones and β‐enaminoesters are reactive and versatile building blocks in organic synthesis. The favorable structure of electron‐withdrawing carbonyl group or ester group and electron‐donating amino groups are respectively linked at both termini of a C=C double bond. In recent years, transition metal catalyzed synthesis of β‐enaminones and β‐enaminoesters have been widely explored and continuously reported. Thus, herein we intended to review the progress in transition metal catalytic routes to these useful synthetic intermediates, with a sequence of condensation of amines with β‐dicarbonyl compounds, aldol‐type addition of ketones to nitriles, N−H olefination of amines and sulfonamides, amination of propargyl alcohols and ynones, multi‐component reactions, and other reactions.
Role of the Bromide on the Hydrodebenzylation of 2,4,6,8,10,12‐Hexabenzyl‐2,4,6,8,10,12‐hexaazaisowurtzitane (HBIW)
Authors: Liu Wei , She Chong Chong , Chao Hui , Wang Na , Chen Shu Sen , Jin Shao Hua , Wang Jun Feng , Chen Kun 
Published: April 2022

AbstractThe catalytic hydrogenolysis of 2,4,6,8,10,12‐hexabenzyl‐2,4,6,8,10,12‐hexaazaisowurtzitane (HBIW) over Pd‐based catalysts in the ternary solvents of acetic anhydride, bromobenzene (PhBr) and N, N’‐dimethylformamide (DMF) was the key step for producing 2,4,6,8,10,12‐hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane (HNIW or CL‐20). However, the role of the bromobenzene is still allusive. Herein, Pd/graphite carbon nitride nanosheets (g‐C3N4 NS) was used in the hydrogenolysis of HBIW under the atmospheric pressure, and exhibited a yield of 80 % as well as a faster debenzylation rate than Pd/C. By the virtue of the kinetic study, the effect of the bromide, solvent and proton on the debenzylation rate was investigated and discussed. The bromide worked as a co‐catalyst to promote the desorption of the product of the hydrogenolysis from the surface of the palladium nanoparticle. The observation benefits for elucidating the reaction mechanism and may inspire the design of the novel catalysts for the hydrogenolysis of HBIW.
Impregnation Synthesized Cu@MIL‐101(Cr) Catalyzes the Oxidation of Styrene to Benzaldehyde with TBHP**
Authors: Cao Xinjie , Yu Sibing , He Zhipeng , Cai Zhenyu , Huang Kai , Zhang Lei 
Published: April 2022

AbstractA series of M@MIL‐101(Cr) (M=Cu, Co, Ni and Mn) adopting impregnation method were fabricated as heterogeneous catalysts to oxidize styrene to benzaldehyde with tert‐butyl hydroperoxide (TBHP). The morphology of the MIL‐101(Cr) was nicely retained after the uniform dispersion of metals. In order to obtain the optimized reaction conditions, various in‐depth investigations were carried out to evaluate the effects of reaction time and reaction temperature on catalytic efficiency. Importantly, the Cu@MIL‐101(Cr) performed best in this study, the highest styrene conversion and the benzaldehyde selectivity can reach 97.45 % and 84.39 %, respectively, which revealed the synergetic effects of Cu2+and Cr3+in Cu@MIL‐101(Cr) on the styrene oxidation. Furthermore, the result of a three‐cycle experiment demonstrated the good recyclability of Cu@MIL‐101(Cr) without considerable structural deterioration and loss in activation. A possible mechanism of oxidation of styrene by using Cu@MIL‐101(Cr) and TBHP was also proposed.
Synthesis, Characterization and Thermal Controlled Release Of 2‐Isopropyl‐N,2,3‐Trimethylbutyramide with Acyclic Cucurbit[n]urils Inclusion Complexes
Authors: Du Gang , Yang Waixiang , Liao Xiali , Gao Chuanzhu , Yang Jing , Yang Bo 
Published: April 2022

AbstractWS‐23 (2 ‐Isopropyl‐ N,2,3 ‐Trimethylbutyramide) is a novel flavor cooling agent, which has been widely used as additive nowadays in food, medicine, cosmetics, daily necessities products, etc. However, its inherent poor solubility and thermal instability seriously limits its further application. Herein, new inclusion systems of WS‐23 with two acyclic cucurbit[n]urils (ACBs) were prepared for the first time, and their binding behaviors in solution and solid states were investigated by means of 1H NMR, 2D ROESY, XRD, FT‐IR SEM, and Fluorescence Spectroscopy. The data reveal that the stoichiometric ratio of the inclusion complex is 1 : 1, the solubility of WS‐23 can be enhanced by ca. 19.39 ‐ 31.72 folds. Besides, the heat‐controlled release properties of WS‐23 from the solid inclusion complexes were also investigated by TGA and 1H‐NMR, and its thermal stability in two inclusion complexes are both greatly improved. WS‐23 /M1(M2) exhibited a longer retention time in tobacco products and effectively improve the sensory quality. In brief, our work provides theoretical data and technical guidance for the development and application of water soluble WS‐23 with controlled heat release, which might further application of WS‐23 in the field of commercial industry.
Nanoceria‐Supported Ru‐Based Nanoparticles as Highly Efficient Catalysts for Hydrolysis of Ethane 1,2‐Diamine Borane
Authors: Tunç Nihat , Rakap Murat 
Published: April 2022

AbstractHere, the first ever preparation of some series of nanoceria‐supported Ru‐based nanoparticles with different compositions (RuxM100‐x@NC, M: Co, Ni, Pd) and their use as highly active catalysts to liberate hydrogen gas from hydrolysis of ethane 1,2‐diamine borane (EDAB) is reported. For the preparation of totally fifteen RuxM100‐x@NC nanoparticles with different compositions, the related metal cations are first supported on nanoceria surfaces by wet impregnation method in aqueous solution. Then, Ru3+‐M2+‐exchanged nanoceria samples are synchronously reduced during hydrolysis reaction of EDAB to form corresponding RuxM100x@NC nanoparticles meanwhile the formed nanoparticles catalyze the same reaction. RuxM100x@NC nanoparticles are identified by inductively coupled plasma‐optical emission spectroscopy (ICP‐OES), powder X‐ray diffraction (PXRD), transmission electron microscopy (TEM), X‐ray photoelectron spectroscopy (XPS), and BET surface area techniques. They provide quiet high catalytic activities in the hydrolysis reaction of EDAB. Among them, Ru20Pd80@NC nanoparticles are by far the best one up to date with a TOF value of 608.49 min−1 at 25 °C.
Reciprocally Photovoltaic Light‐Emitting Diode Based on Dispersive Perovskite Nanocrystal
Authors: Li Jiong , Duan Chenghao , Wen Qiaoyun , Yuan Ligang , Zou Shibing , Chen Chang , Xie Weiguang , Lin Dongxu , Chan Christopher C. S. , Wong Kam Sing , Yan Keyou 
Published: April 2022

AbstractIntegrating highly efficient photovoltaic (PV) function into light‐emitting diodes (LEDs) for multifunctional display is of great significance for compact low‐power electronics, but it remains challenging. Herein, it is demonstrated that solution engineered perovskite nanocrystals (PNCs, ≈100 nm) enable efficient electroluminescence (EL) and PV performance within a single device through tailoring the dispersity and interface. It delivers the maximum brightness of 490 W sr−1 m−2 at 2.7 V and 23.2% EL external quantum efficiency, a record value for near‐infrared perovskite LED, as well as 15.23% PV efficiency, among the highest value for nanocrystal perovskite solar cells. The PV–EL performance is well in line with the reciprocity relation. These all‐solution‐processed PV‐LED devices open up viable routes to a variety of advanced applications, from touchless interactive screens to energy harvesting displays and data communication.
Injectable Hydrogel Based on Defect‐Rich Multi‐Nanozymes for Diabetic Wound Healing via an Oxygen Self‐Supplying Cascade Reaction
Authors: Li Yang , Fu Rongzhan , Duan Zhiguang , Zhu Chenhui , Fan Daidi 
Published: April 2022

AbstractDiabetic wound healing remains challenging owing to the risk for bacterial infection, hypoxia, excessive glucose levels, and oxidative stress. Glucose‐activated cascade reactions can consume glucose and eradicate bacteria, avoiding the direct use of hydrogen peroxide (H2O2) and wound pH restriction on peroxidase‐like activity. However, the anoxic microenvironment in diabetic wounds impedes the cascade reaction due to the oxygen (O2) dependence of glucose oxidation. Herein, defect‐rich molybdenum disulfide nanosheets loaded with bovine serum albumin‐modified gold nanoparticle (MoS2@Au@BSA NSs) heterostructures are designed and anchored onto injectable hydrogels to promote diabetic wound healing through an O2 self‐supplying cascade reaction. BSA decoration decreases the particle size of Au, increasing the activity of multiple enzymes. Glucose oxidase‐like Au catalyzes the oxidation of glucose into gluconic acid and H2O2, which is transformed into a hydroxyl radical (•OH) catalyzed by peroxidase‐like MoS2@Au@BSA to eradicate bacteria. When the wound pH reaches an alkalescent condition, MoS2@Au@BSA mimicks superoxide dismutase to transform superoxide anions into O2 and H2O2, and decomposes endogenous and exogenous H2O2 into O2 via catalase‐like mechanisms, reducing oxidative stress, alleviating hypoxia, and facilitating glucose oxidation. The MoS2@Au@BSA nanozyme‐anchored injectable hydrogel, composed of oxidized dextran and glycol chitosan crosslinked through a Schiff base, significantly accelerates diabetic wound healing.
The Code of Silence and the Theory of Police Integrity
Authors: Kutnjak Ivković Sanja , Maskály Jon , Kule Ahmet , Haberfeld Maria Maki 
Published: April 2022

AbstractThis chapter nests the code of silence within the discussion of police integrity. It starts by presenting an overview of the tenets of police integrity theory and the methodology developed by Klockars CB, Kutnjak Ivković S, Haberfeld MR (2004a) The contours of police integrity. In Klockars CB, Kutnjak Ivković S, Haberfeld M R (eds). The contours of police integrity. Sage, Thousand Oaks, p 1–18.; Klockars CB, Kutnjak Ivković S, Haberfeld MR (2004b) Police integrity in the United States of America. In Klockars CB, Kutnjak Ivković S, Haberfeld M R (eds). The contours of police integrity. Sage, Thousand Oaks, p 265–282. Based on the data from one mid-sized police department in the United States, the chapter examines the extent of the code of silence across 12 different scenarios depicting lapses in police integrity, including police corruption, use of excessive force, organizational deviance, and interpersonal deviance. Our findings show that the strength of the code of silence varies across scenarios and that it is negatively related to how serious misconduct is evaluated to be. The multivariate models indicate that the perceptions of organizational peer culture are the strongest factor affecting the respondents’ own willingness to report. In addition, other factors based on the police integrity theory—seriousness of police misconduct, assessment that the behavior violates official rules, and severity of expected discipline—are all related to the respondents’ expressed unwillingness to adhere to the code of silence.
The Code of Silence and Organizational Justice
Authors: Kutnjak Ivković Sanja , Maskály Jon , Kule Ahmet , Haberfeld Maria Maki 
Published: April 2022

AbstractThis chapter focuses on how the police officers’ willingness to report is shaped by their perceptions of organizational justice. With a few exceptions, bivariate analyses revealed a negative relationship between the adherence to the code of silence and the perceptions of organizational justice. Multivariate analyses indicated that the effect of perceived organizational justice varies across the types of scenarios. While the effect of organizational justice on the adherence to the code of silence is negative for the corruption scenarios, organizational justice exerts an inconsistent relationship on the adherence to the code of silence for organizational deviance scenarios and interpersonal deviance scenarios. Yet, the perceptions of organizational justice seem to have no effect on the use of excessive force scenarios. Additionally, the estimated other police officers’ adherence to the code of silence is the strongest predictor of an officer’s own adherence to the code of silence.
Krankenhauspolitische Chronik
Authors: Bürger Dirk , Purwins Martina 
Published: April 2022

Zusammenfassung
Zusammenfassung
Der Bundestag, dessen Abgeordnete im Ausschuss für Gesundheit, das Bundesgesundheitsministerium, die Landesgesundheitsminister und der Bundesrat setzen jährlich neben den gesundheits- auch die krankenhauspolitischen Rahmenbedingungen. Benannte Expertenbeiräte der Bundesregierung, die Gesundheitsexperten der Parteien, diverse Verbände, die (Sozial-)Gerichtsbarkeit und Bundesbehörden sowie politiknahe und wissenschaftliche Institute prägen dabei die öffentliche Diskussion um diese Regelungen. Die Selbstverwaltungspartner auf Bundesebene nutzen die ihnen übertragenen Aufgaben zur vertraglichen Gestaltung, um die medizinische und pflegerische Versorgung in den Krankenhäusern anhand der aktuellen Anforderungen weiterzuentwickeln. Die „Krankenhauspolitische Chronik“ liefert eine Übersicht über alle wesentlichen Entscheidungen der Akteure der deutschen Gesundheits- und Krankenhauspolitik und informiert über die Aktivitäten in den vergangenen zwölf Monaten.
Statistical supervised learning with engineering data: a case study of low frequency noise measured on semiconductor devices
Authors: Gámiz María Luz , Kalén Anton , Nozal-Cañadas Rafael , Raya-Miranda Rocío 
Published: April 2022

AbstractOur practical motivation is the analysis of potential correlations between spectral noise current and threshold voltage from common on-wafer MOSFETs. The usual strategy leads to the use of standard techniques based on Normal linear regression easily accessible in all statistical software (both free or commercial). However, these statistical methods are not appropriate because the assumptions they lie on are not met. More sophisticated methods are required. A new strategy based on the most novel nonparametric techniques which are data-driven and thus free from questionable parametric assumptions is proposed. A backfitting algorithm accounting for random effects and nonparametric regression is designed and implemented. The nature of the correlation between threshold voltage and noise is examined by conducting a statistical test, which is based on a novel technique that summarizes in a color map all the relevant information of the data. The way the results are presented in the plot makes it easy for a non-expert in data analysis to understand what is underlying. The good performance of the method is proven through simulations and it is applied to a data case in a field where these modern statistical techniques are novel and result very efficient.
Smallest covering regions and highest density regions for discrete distributions
Authors: O’Neill Ben 
Published: April 2022

AbstractThis paper examines the problem of computing a canonical smallest covering region for an arbitrary discrete probability distribution. This optimisation problem is similar to the classical 0–1 knapsack problem, but it involves optimisation over a set that may be countably infinite, raising a computational challenge that makes the problem non-trivial. To solve the problem we present theorems giving useful conditions for an optimising region and we develop an iterative one-at-a-time computational method to compute a canonical smallest covering region. We show how this can be programmed in pseudo-code and we examine the performance of our method. We compare this algorithm with other algorithms available in statistical computation packages to compute HDRs. We find that our method is the only one that accurately computes HDRs for arbitrary discrete distributions.
Evaluation of the efficacy and safety of TAS0313 in adults with recurrent glioblastoma
Authors: Narita Yoshitaka , Okita Yoshiko , Arakawa Yoshiki 
Published: April 2022

Abstract
Background
TAS0313 is a multi-epitope long peptide vaccine targeting several cancer-associated antigens highly expressed in multiple cancer types, including glioblastoma (GBM). This cohort of a Phase 2 part evaluated the efficacy and safety of TAS0313 in patients with GBM.

Methods
TAS0313 (27 mg) was administered subcutaneously on Days 1, 8 and 15 of Cycles 1 and 2, and Day 1 of subsequent cycles in 21-day cycles. The primary endpoint was the objective response rate (ORR). The secondary endpoints were the disease control rate, progression-free survival (PFS) and 6- and 12-month progression-free survival rates (PFR) and safety. Immunological response was assessed as an exploratory endpoint.

Results
The best overall response was partial response in 1 patient, and the ORR (95% CI) was 11.1% (0.3–48.2%) in the per-protocol set (n = 9). A further 3 patients achieved stable disease, for a disease control rate (95% CI) of 44.4% (13.7–78.8%). Median (95% CI) PFS was 1.7 (1.3–NE) months and 6- and 12-month PFRs (95% CI) were 22.2% (3.4–51.3%) each. Common (≥ 20% incidence) treatment-related adverse events (AEs) were injection site reactions (n = 8, 80.0%), followed by pyrexia (n = 7, 70.0%), and malaise, injection site erythema and injection site pruritus (n = 2, 20.0% each). There were no grade 4 or 5 treatment-related AEs. No deaths occurred during the study. In some patients, TAS0313 treatment was confirmed to increase cytotoxic T lymphocyte and immunoglobulin G levels compared with baseline.

Conclusion
TAS0313, a multi-epitope long peptide vaccine, demonstrated promising efficacy and acceptable safety in patients with recurrent GBM.

Clinical trial registration
JapicCTI-183824 (Date of registration: Jan 11, 2018)
Expression Pattern of RNA Interference Genes During Drought Stress and MDMV Infection in Maize
Authors: Balassa György , Balassa Kinga , Janda Tibor , Rudnóy Szabolcs 
Published: April 2022

AbstractWhen stress factors trigger transcriptional and metabolic changes, RNA interference (RNAi) is associated with gene expression regulation at the transcriptional and post-transcriptional levels. RDR, DCL and AGO proteins contribute to these gene silencing processes during stress reactions and plant development. An entire revision of the maize RDR, DCL and AGO genes was carried out prior to the experiments. In this study, the transcript changes of a total of 4 ZmRDR, 5 ZmDCL and 17 ZmAGO genes were analysed in maize during either drought stress or MDMV infection, with or without salicylic acid pre-treatment or siRNA pre-treatment, respectively. The gene expression profiles showed the early, middle and late activity of these genes. Drought stress caused major changes in the expression profiles, indicating that there were various steps in stress response regulation. Moreover, insights were gained into the fine-tuning mechanisms of SA regulation. In the case of MDMV infection less diverse trends were observed, which were mainly focused on antiviral defence. However, treatment with exogenous siRNA seems to be an appropriate tool for the targeted influencing of RNAi, especially of AGO genes. These results represent the first contribution to the relationship between RNAi and salicylate signalling and between viral infection and siRNA-triggered defence in maize.