bluuebunny/crossref_metadata_2025_split huggingface dataset:
Green Chemistry: Evolution in Architecting Schemes for Perfecting the Synthesis Methodology of the Functionalized Nanomaterials
Authors: Najeeb Jawayria , Naeem Sumaira , Nazar Muhammad F. , Naseem Khalida , Shehzad Usman 
Published: April 2021

AbstractRecently, significant attention and effort have been given to the synthesis of nanomaterials (NMs) by utilizing numerous conventional and advanced methodologies owing to its various applications in different fields of life. The green methodology is preferred over other approaches because of the advantages of cost‐effectiveness, environment friendliness, and non‐toxic nature of the utilized biogenic materials. This review summarizes and organizes the documented case studies presented in the last five years i. e. 2017–2021 that use the green chemistry approach for the production of NMs into the two broad categories of plant based NMs and microorganisms based NMs. Furthermore, the fundamentals involved in this production process such as optimization of the synthetic process, mechanism involved in the production of NMs owing to the selected biogenic system, and the extraction techniques utilized for the synthesis of the plant/biogenic extracts are also discussed in detail in this review. We believe that this review will highlight some critical practices and advancements which must be taken into consideration beforehand by the new/working scholars exploring the field of green chemistry for the production of NMs.
A Ternary Photocatalyst with Double Heterojunctionsfor Efficient Diesel Oil Degradation
Authors: Bao Er‐Peng , Long Songtao , Zhang Shuoqing , Li Huan , Zhang Weiguo , Zou Jijun , Xu Qiang 
Published: April 2021

AbstractThe photodegradation is a potential technology to solve environmental issues such as the diesel oil pollution. The titanium dioxide/graphitic carbon nitride (TiO2/g‐C3N4) photocatalyst is widely used for the photodegradation of pollutants. However, the performances of this binary photocatalyst such as the degradation efficiency and cyclic stability are still unsatisfactory for real applications. In our work, we introduce a p‐type NiO semiconductor into the binary TiO2/g‐C3N4 (98: 2) photocatalyst by a simple dipping method. The NiO semiconductor can form double heterojunctions with the TiO2 and g‐C3N4 (dual Z‐scheme and Z‐scheme+p‐n), which can accelerate the separation of photo‐generated electron‐hole pairs effectively. Thus, the as‐obtained ternary TiO2/NiO/g‐C3N4 (TCN) sample delivers a good photocatalytic performance for diesel oil degradation under a simulated sunlight. Specifically, the TCN (7 : 3) photocatalyst exhibits a 98.94 % degradation efficiency after 2 h of visible‐light, largely outperforming the single‐component photocatalysts (TiO2, g‐C3N4, NiO,) and the binary TiO2/g‐C3N4 (98 : 2) photocatalyst. The free radical capture test manifests that
is the major factor on the degradation. This work presents a typical example to boost the photodegradation performance via a ternary catalyst design, which will provide valuable insight for the future high‐performance diesel oil degradation.
A Reliable Fluorescence‐enhanced Chemical Sensor (Eu@mil‐61) for the Directed Detection of 2‐Naphthol
Authors: Wang Da , Ge Kai‐Ming , Chu Rui‐Qing , Xu Zhi‐Jun , Yang Jian‐Hua , Zhu Cui‐Xue 
Published: April 2021

AbstractThe parent coordination polymer Ga(OH)(btec) ⋅ 0.5H2O(MIL‐61) was synthesized by the method of hydrothermal synthesis, and Eu3+ was incorporated by the post‐synthesis modification method to obtain the coordination polymer Eu@MIL‐61 with excellent luminescence properties. Eu@MIL‐61 was developed as an excellent nano‐fluorescent probe for the detection of 2‐naphthol in urine. The study showed that Eu@MIL‐61 could selectively respond to 2‐naphthol, a biomarker of naphthol, with fluorescence quenching effect. More importantly, the probe has fast response time and low detection limit. In addition, the framework is not affected by the acid‐base properties of the solution and has good water stability and can be used to monitor the concentration of 2‐naphthol in urine.
Adsorption Behavior of Polyhydroxy‐Iron‐Modified Coal‐Bearing Kaolin for Fluoride Removal
Authors: Muschin Tegshi , Zulchin Hairihan , Jia Meilin 
Published: April 2021

AbstractAccording to previous research on polyhydroxy‐iron‐modified coal‐bearing kaolin for the removal of anionic dyes, we first performed a ball milling treatment and then modified the kaolin samples with polyhydroxy‐iron to prepare a high‐surface‐area adsorbent. This process not only increased the surface area up to 100 m2 g−1 while successfully avoiding high‐temperature calcination and acid treatment but also significantly increased the fluoride adsorption performance in terms of the removal rate, which reached 90 %. Compared with the removal rate of raw kaolin (11 %), that of polyhydroxy‐iron‐modified coal‐bearing kaolin (without ball milling) was ∼44 %. Various adsorption conditions that affect the adsorption capacity of the adsorbent were investigated, including the adsorption time, initial solution pH and initial fluoride concentration. The effect of the initial pH showed a wide (pH=6–8) application range. The adsorption kinetics of fluoride fit well with the pseudosecond‐order kinetic model, and the equilibrium data can be well described by the Freundlich adsorption model.
Lead‐Free KNbO3 Nanoblocks Improved Triboelectric Nanogenerator with High Output Performance and Self‐Powered Anticorrosion System
Authors: Zhang Haojun , Guo Yongliang , Cui Jinfeng , Guo Junhong , Zhao Gengrui , Yang Baoping 
Published: April 2021

AbstractMetal corrosion causes huge economic losses every year and metal anticorrosion is of great significance in economic development. It will be meaningful to convert the mechanical energy in ambient world into electricity energy for the metal anticorrosion. Here, an eco‐friendly self‐powered anticorrosion system is constructed to prevent metal from corrosion and a facile effective approach is demonstrated to enhance the output performance of triboelectric nanogenerator (TENG). The lead‐free KNbO3 nanoblocks are doped into the PVC triboelectric layer to greatly boost the output performance of TENG. The output voltage and short circuit current of TENG are increased by 2.5 times and 4.3 times using this doping process. The optimal output voltage and short circuit current reach 208 V and 24 μA. Due to this high output performance, the TENG can be a power supply for impressing current cathodic protection, forming an effective self‐powered anticorrosion system.
Reaction of Dialkylaminosulfur Trifluorides with β‐Keto Sulfonamides and β‐Keto Sulfones
Authors: Popov Ioann O. , Popova Maria V. , Omelian Taras V. , Dobrydnev Alexey V. , Konovalova Irina S. , Shishkina Svitlana V. , Grygorenko Oleksandr O. , Volovenko Yulian M. 
Published: April 2021

AbstractThe reaction of β‐keto sulfones and β‐keto sulfonamides bearing an unsubstituted α‐methylene unit with (diethylamino)sulfur trifluoride (DAST) and morpholinosulfur trifluoride (morphDAST) led to α‐fluoro‐α‐(dialkylamino)thio‐β‐keto sulfones (sulfonamides). For the β‐keto sulfonamides bearing an α‐methyl substituent, the Cα−Cβ bond cleavage was observed upon reaction with DAST reagents, resulting in formation of (α‐fluoro‐α‐(dialkylamino)thio)ethyl sulfonamides. The structure of the products was confirmed by an X‐ray diffraction study, and mechanistic insights of the process have been presented.
Tuning the Reactivity and Bonding Properties of the Pt(II) Complexes by the Substitution(s) on the Trans‐Coordinated Non‐Aromatic Amine Ligand
Authors: Dvořáčková Olga , Chval Zdeněk 
Published: April 2021

AbstractKinetics of the hydration reaction and the bonding properties of the trans‐[Pt(NH3)2(NH2X)Cl]+ complexes (X=H, CH3, F, Cl, Br, NH2, NO2, OH, dimethylamine (DMA), cyclopropyl (CyP), cyclohexyl (CyH)) were studied theoretically by DFT methodology in the gas phase and the water solution. The electron‐donating and electron‐withdrawing X substituents lower and increase, respectively, the activation free energy (ΔG≠) and Pt‐trans ligand binding energies (BEs) to a similar extent as meta and para substituents of the pyridine ligand studied previously (ACS Omega, 2020, 5, 11768). For the saturated hydrocarbon X substituents (X=H, CH3, CyP, CyH), the ΔG≠ values and Pt‐trans ligand BEs decrease with the logarithm of the X substituent size being best quantified by the number of electrons. The additivity of the substituent effects was studied on the NF3 ligand and worked well for ligand charges and Pt−trans ligand BEs. The influence of chelation was evaluated by the comparison of the CyH system and the complexes with the cyclohexanediamine (DACH) ligand. Finally, the effect of isomerization was studied on the complexes with the 1,2‐bis(aminomethyl)cyclobutane (BAMCB) ligand. Thus, this study also evaluates the influence of the non‐leaving ligands present in cisplatin, oxaliplatin, lobaplatin, JM118, and JM11 drugs on the reactivity of the Pt(II) complexes in the same ligand environment.
Fibrous Phase Red Phosphorene as a New Photocatalyst for Carbon Dioxide Reduction and Hydrogen Evolution
Authors: Hu Zhuofeng , Guo Weiqing 
Published: April 2021

Abstract2D photocatalysts are one of the hottest issues in energy and material science. In the field of photocatalysis, a 2D material with an appropriate bandgap of 1.3 to 2.0 eV is desirable. Herein, a new kind of fibrous phase red phosphorene with a bandgap between 1.43 to 1.54 eV is obtained. This is much better than black phosphorus because the bandgap of black P depends of its layer number. The black P needs to be as thin as 1‐2 layers for suitable band diagram, which is difficult to control. The fibrous red phosphorene is first used for photocatalytic CO2 reduction, and its activity is superior to the majority of mainstream photocatalysts and reaches a record‐high value among phosphorus. Besides, its activity in hydrogen evolution is higher than most of the phosphorus photocatalysts. The intralayer charge transfer is much easier than interlayer transfer. The mobility of electron and hole along the phosphorene plane is about 20 times higher than that perpendicular to different layers. The activity sites is at region between the two P[21] chains. These regions are easy to be exposed for fibrous phase phosphorene, making it to exhibit high activity.
In Situ Electrochemical Intercalation‐Induced Phase Transition to Enhance Catalytic Performance for Lithium–Sulfur Battery
Authors: Liu Kangli , Zhang Xiangdan , Miao Fujun , Wang Zhuo , Zhang Shijie , Zhang Yongshang , Zhang Peng , Shao Guosheng 
Published: April 2021

AbstractAccelerating the conversion of polysulfide to inhibit shutting effect is a promising approach to improve the performance of lithium–sulfur batteries. Herein, the hollow titanium nitride (TiN)/1T–MoS2 heterostructure nanospheres are designed with efficient electrocatalysis properties serving as a sulfur host, which is formed by in situ electrochemical intercalation from TiN/2H‐MoS2. Metallic, few‐layered 1T‐MoS2 nanosheets with abundant active sites decorated on TiN nanospheres enable fast electron transfer, high adsorption ability toward polysulfides, and favorable catalytic activity contributing to the conversion kinetics of polysulfides. Benefiting from the synergistic effects of these favorable features, the as‐developed hollow TiN/1T‐MoS2 nanospheres with advanced architecture design can achieve a high discharge capacity of 1273 mAh g−1 at 0.1 C, good rate performance with a capacity retention of 689 mAh g−1 at 2 C, and long cycling stability with a low‐capacity fading rate of 0.051% per cycle at 1 C for 800 cycles. Notably, the TiN/1T‐MoS2/S cathode with a high sulfur loading of up to 7 mg cm−2 can also deliver a high capacity of 875 mAh g−1 for 50 cycles at 0.1 C. This work promotes the prospect application for TiN/1T‐MoS2 in lithium–sulfur batteries.
A goal‐driven approach for the joint deployment of safety and security standards for operators of essential services
Authors: Ponsard Christophe , Grandclaudon Jeremy , Massonet Philippe 
Published: April 2021

SummaryDesigning safety‐critical software in domains ensuring essential services like transportation, energy, or health requires high assurance techniques and compliance with domain specific standards. As a result of the global interconnectivity and the evolution toward cyber‐physical systems, the increasing exposure to cyber threats calls for the adoption of cyber security standards and frameworks. Although safety and security have different cultures, both fields share similar concepts and tools and are worth being investigated together. This paper provides the background to understand emerging co‐engineering approaches. It advocates for the use of a model‐based approach to provide a sound risk‐oriented process and to capture rationales interconnecting top‐level standards/directives to concrete safety/security measures. We show the benefits of adopting goal‐oriented analysis that can be transposed later to domain‐specific frameworks. Both qualitative and quantitative reasoning aspects are analyzed and discussed, especially to support trade‐off analysis. Our work is driven by a representative case study in drinking water utility in the scope of the NIS regulation for operator of essential services.
Incorporation of Extracted Mucor indicus Fungus Chitin Nanofibers into Starch Biopolymer: Morphological, Physical, and Mechanical Evaluation
Authors: Bahrami Bahador , Behzad Tayebeh , Salehinik Fatemeh , Zamani Akram , Heidarian Pejman 
Published: April 2021

AbstractBio‐nanocomposites based on starch are reinforced by different percentages of chitin nanofibers (ChNFs) and compatibilized by glycerol. Nanofibers are extracted from Mucor indicus fungus through different chemo‐mechanical pretreatments. The mechnical, chemo‐physical, and morphological properties of the nanocomposite starch films were evaluated and compared with the unfilled thermoplastic starch (TPS) film. Based on the obtained results, Young's modulus of the film at 5 wt.% ChNFs indicated 239% enhancement compared to the TPS film due to the existence of good interactions between starch and ChNFs. Moreover, the ultimate strength of the reinforced film at 5 wt.% ChNFs and the unreinforced counterpart are found to be 5.5 and 1.74 MPa, indicating 216% improvement; however, the elongation at break of the films decreases from 59.3% to 19.3% by adding 5 wt.% ChNFs. In addition, the moisture absorption of the film decreases after the incorporation of ChNFs. Based on the morphological study, ChNFs increase the roughness of the starch matrix with a homogenous morphology revealing the good dispersion of nanofibers in the TPS film. Finally, the nanocomposite film with 5 wt.% ChNFs show the best properties to employ for bio‐film applications.
Optimization of combined mixture and process variables for the pyrolysis oil yield from co‐pyrolysis of polymeric wastes
Authors: Oladunni Atilade Amos , Odejobi Oludare Johnson , Sanda Olayinka , Sonibare Jacob Ademola 
Published: April 2021

AbstractThe combined mixture process variable approach for optimization and prediction of oil yield in co‐pyrolysis of polymeric wastes was investigated in this study using I‐optimal design. The components mixture investigated were low‐density polyethylene (LDPE), polystyrene (PS), and polyethylene terephthalate (PET), whereas the process variables were temperature and residence time. Thirty experimental runs were developed using the I‐optimality criterion to investigate the effect of interaction between the mixture and process parameters on oil recovery from co‐pyrolysis of the polymeric wastes. The data obtained were used to generate a model equation, and analysis of variance was used to estimate the significance of the model. The model was significant with aPvalue < 0.0001, theR2value of 0.9980, adjustedR2of 0.9949, and predictedR2of 0.9201. Optimized oil yield showed close match between actual and predicted responses with a desirability factor of 0.999. The predicted mixture compositions and operating parameters for the optimum oil yield were 52.86% for LDPE, 47.15% for PS, and 0% for PET at 471.07°C and 115.25 minutes. The chemical compositions of the pyrolysis oil at the optimum conditions were hydrocarbons in the carbon range between C6and C25, with physical properties comparable to conventional diesel.
The occurrence of selected endocrine‐disrupting chemicals in water and sediments from an urban lagoon in Southern Italy
Authors: Russo Giacomo , Laneri Sonia , Di Lorenzo Ritamaria , Ferrara Luciano , Grumetto Lucia 
Published: April 2021

AbstractEndocrine‐disrupting chemicals (EDCs) are agents able to exert perturbation toward the endocrine system via a broad array of signalling pathways. Some EDCs are released into the environment as a result of antropogenic activities. Analytical surveillance plays a critical role in investigating the prevalence of such chemicals in environmental samples. A study was carried out in a lagoon in Southern Italy, a water basin relates to the sea through a mouth channel, making this water body a “dynamic environment”. The screening of fourteen EDCs in surface waters and sediments, includes a fast and cost‐effective sample preparation, based on a solid–liquid (sediments) and liquid–liquid (surface waters) extraction and a chromatographic analysis by liquid chromatography tandem UV and fluorescence detection. Only four chemicals out the fourteen investigated EDCs were detected in both matrices with a frequency higher than 60%. The average concentrations of the single EDC were higher in sediments (730–155.000 ng kg−1 dw) than in surface waters (132–28.000 ng L−1). Limited to the assayed EDCs, the ecosystem has a low risk regarding to the conservation of biodiversity of the animal species living thereby, since the total estrogenic activity does not exceed 1 ng L−1.Practitioner points

Occurrence of selected EDCs was investigated in an Italian lagoon in Southern Italy.
BPAF, BADGE, and BPA were the most frequently and highly detected compounds in both waters and sediments.
Concentration levels were greater in the sediment than in water samples.
Low risk for the ecosystem biodiversity concerning investigated EDCs.
Usability Study of Learning-Based Pose Estimation of Industrial Objects from Synthetic Depth Data
Authors: Thalhammer Stefan , Patten Timothy , Vincze Markus 
Published: April 2021

AbstractFor visual assistance systems deployed in an industrial setting, precise object pose estimation is an important task in order to support scene understanding and to enable subsequent grasping and manipulation. Industrial environments are especially challenging since mesh-models are usually available while physical objects are not or are expensive to model. Manufactured objects are often similar in appearance, have limited to no textural cues and exhibit symmetries. Thus, these are especially challenging for recognizers that are meant to provide detection, classification and pose estimation on instance level. A usability study of a recent synthetically trained learning-based recognizer for these particular challenges is conducted. Experiments are performed on the challenging T-LESS dataset due to its relevance for industry.
Safety as Bad Cop of Physical Assistance Systems?
Authors: Rathmair Michael , Brandstötter Mathias 
Published: April 2021

AbstractConstantly increasing variety of products and customer-specific requirements lead to more complex assembly lines in the shop floors. These new demands require novel systems and technologies such as flexible assembly lines, track and trace systems or assistive systems. In this paper, supporting systems on the physical level are analyzed and in particular robot assistance systems with respect to their safety aspects are discussed. Moreover, the current standards and guidelines in the field of robot safety and their development focus are presented. It is intended to provide a comprehensive overview of what role safety actually plays with assistance systems and how ongoing research may affect it in future.
Erratum zu: Selbststudium im digitalen Wandel
Authors: Küstermann Roland , Kunkel Matthias , Mersch André , Schreiber Anne 
Published: April 2021

Erratum zu:R. Küstermann et al. (Hrsg.),Selbststudium im digitalen Wandel,10.1007/978-3-658-31279-4Die Affiliations der Autoren der folgenden Kapitel wurden geändert. Sie werden nun aktualisiert.
Dark Matter production from relativistic bubble walls
Authors: Azatov Aleksandr , Vanvlasselaer Miguel , Yin Wen 
Published: April 2021

Abstract
In this paper we present a novel mechanism for producing the observed Dark Matter (DM) relic abundance during the First Order Phase Transition (FOPT) in the early universe. We show that the bubble expansion with ultra-relativistic velocities can lead to the abundance of DM particles with masses much larger than the scale of the transition. We study this non-thermal production mechanism in the context of a generic phase transition and the electroweak phase transition. The application of the mechanism to the Higgs portal DM as well as the signal in the Stochastic Gravitational Background are discussed.
Notes on AdS-Schwarzschild eikonal phase
Authors: Parnachev Andrei , Sen Kallol 
Published: April 2021

Abstract
We consider the eikonal phase associated with the gravitational scattering of a highly energetic light particle off a very heavy object in AdS spacetime. A simple expression for this phase follows from the WKB approximation to the scattering amplitude and has been computed to all orders in the ratio of the impact parameter to the Schwarzschild radius of the heavy particle. The eikonal phase is related to the deflection angle by the usual stationary phase relation. We consider the flat space limit and observe that for sufficiently small impact parameters (or angular momenta) the eikonal phase develops a large imaginary part; the inelastic cross-section is exactly the classical absorption cross-section of the black hole. We also consider a double scaling limit where the momentum becomes null simultaneously with the asymptotically AdS black hole becoming very large. In the dual CFT this limit retains contributions from all leading twist multi stress tensor operators, which are universal with respect to the addition of higher derivative terms to the gravitational lagrangian. We compute the eikonal phase and the associated Lyapunov exponent in the double scaling limit.
ThickBrick: optimal event selection and categorization in high energy physics. Part I. Signal discovery
Authors: Matchev Konstantin T. , Shyamsundar Prasanth 
Published: April 2021

Abstract
We provide a prescription called ThickBrick to train optimal machine-learning-based event selectors and categorizers that maximize the statistical significance of a potential signal excess in high energy physics (HEP) experiments, as quantified by any of six different performance measures. For analyses where the signal search is performed in the distribution of some event variables, our prescription ensures that only the information complementary to those event variables is used in event selection and categorization. This eliminates a major misalignment with the physics goals of the analysis (maximizing the significance of an excess) that exists in the training of typical ML-based event selectors and categorizers. In addition, this decorrelation of event selectors from the relevant event variables prevents the background distribution from becoming peaked in the signal region as a result of event selection, thereby ameliorating the challenges imposed on signal searches by systematic uncertainties. Our event selectors (categorizers) use the output of machine-learning-based classifiers as input and apply optimal selection cutoffs (categorization thresholds) that are functions of the event variables being analyzed, as opposed to flat cutoffs (thresholds). These optimal cutoffs and thresholds are learned iteratively, using a novel approach with connections to Lloyd’s k-means clustering algorithm. We provide a public, Python implementation of our prescription, also called ThickBrick, along with usage examples.