bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Characterization of Dialkylthio Side Chains Modified Benzo[1,2‐b:4,5‐b’]dithiophene‐Based Conjugated Polymer for Organic Solar Cells
Authors: Chen Bin , Miao Wentao , Zhou Anqi , Wang Qian , Guo Pengzhi , Xia Yangjun 
Published: September 2022

AbstractIn this paper, two conjugated polymers named PBDT‐OT‐BT and PBDT‐DST‐BT, derived from 4,8‐bis(4,5‐dioctylthiophen‐2‐yl)benzo[1,2‐b : 4,5‐b’]dithiophene (BDT‐OT) or 4,8‐bis(4,5‐bis(octylthio)thiophene‐2‐yl)benzo[1,2‐b : 4,5‐b’]dithiophene (BDT‐DST) as the electron‐donating unit and benzo[c][1,2,5]thiadiazole (BT) as electron‐withdrawing unit were synthesized and characterized. It was found that compared to the alkyl side chain substituted polymer PBDT‐OT‐BT, the two alkylthio side chain modified polymer PBDT‐DST‐BT exhibited lower highest occupied molecular orbital (HOMO) energy level, weaker crystallinity characteristic, and higher dielectric constant (ϵr) at 1 kHz. However, PBDT‐DST‐BT also presented relatively poor miscibility with Y6 in comparison with PBDT‐OT‐BT, which had a negative effect on the bulk heterojunction morphology and hindered the exciton dissociation and carrier collection. Eventually, the PBDT‐DST‐BT : Y6 based polymer solar cells (PSCs) achieved a power conversion efficiency (PCE) of 2.27 % much lower than that of the PBDT‐OT‐BT : Y6 based device (PCE=9.46 %). These results would provide a deep understanding of the influence of alkylthio side groups on the properties of polymer donors in PSCs.
Carbon Monoxide Desorption and Reduction Studies of Graphitic Carbon Nitride Supported Nickel Catalysts for CO Methanation
Authors: Naim Ahmad Khairul , Samidin Salma , Salleh Fairous , Nor Roslam Wan Isahak Wan , Al‐Amiery Ahmed , Shahbudin Masdar Mohd , Rahimi Yusop Muhammad , Khalid Al‐Azzawi Waleed , Irwan Rosli Masli , Ambar Yarmo Mohd 
Published: September 2022

AbstractGraphitic carbon nitride (g‐C3N4) has attracted much attention due to its unique polymeric structure of carbon and nitrogen in the form of heptazine units. In this study, a nickel catalyst supported on graphitic carbon nitride was prepared by a facile impregnation method. Ni/g‐C3N4 desorption and reduction behaviors with carbon monoxide (CO) were investigated by temperature‐programmed desorption (TPD) and reduction (TPR). The chemisorption study of reduction and desorption behaviors of CO molecules on Ni/g‐C3N4 catalyst is essential for CO methanation reaction. The as‐prepared Ni/g‐C3N4 catalyst was also characterized by X‐ray diffraction (XRD), N2 physisorption, and X‐ray photoelectron spectroscopy (XPS). It was found that the utilization of g‐C3N4 as a catalyst support enhances the complete reduction of Ni species and CO desorption. This can be attributed to the role of g‐C3N4 support as a reducing agent for Ni, as well as its basicity owing to the richness of nitrogen functional group. The good performance of Ni/g‐C3N4 catalyst towards CO methanation can be ascribed to the improvement in adsorption and activation of CO molecules on the active sites and the number of surface basic sites.
A Type‐II Heterostructure with a KBiFe2O5 Brownmillerite Core and a ZnO Nanoparticle Shell for Enhanced Optoelectronic Performance
Authors: Nag Riya , Paul Subir , Bera Abhijit 
Published: September 2022

AbstractWe formed a core‐shell heterostructure with a brownmillerite multiferroic KBiFe2O5 core and a wurtzite ZnO nanoparticle shell by sol‐gel technique. The KBiFe2O5 behaves as a p‐type semiconductor when coupled with n‐type ZnO nanoparticles. The heterostructure and the individual materials were characterized by various microscopy and spectroscopy techniques. From scanning tunneling spectroscopy and correspondingly the density of states spectra, we locate the band edges to infer the nature of the individual semiconductors. The energy level diagram of the heterostructure shows the type‐II band alignment at the interface, which facilitates charge separation upon illumination. In consequence, the heterostructure reveals a better degradation yield (82.5 %) of methylene blue under sunlight and photovoltaic response compared to the individual semiconductors. The ZnO nanoparticle shell plays an important role in enhancing catalytically active sites including photogenerated charge carriers to disintegrate chemical disposal from the wastewater. All oxide heterostructures thus provide a perfect combination to maximize solar light absorption, including improved charge carrier separation at the junction by appropriate core‐shell interface band alignment.
High Emission Zinc Metal‐Organic Framework for Sensitive and Selective Detection of Fe3+, Cr6+ and Nitrofurazone Antibiotic
Authors: Yin Bei B. , Gao Ning N. , Xu An R. , Liang Jing , Wang Li J. , Wang Yan 
Published: September 2022

AbstractBased on 3‐bpmh ligand (3‐bpmh=N, N’‐bis‐pyridin‐3‐ylmethylene‐hydrazine) and H2HPA (H2HPA=Homophthalic acid), a new complex, namely, [Zn(HPA)(3‐bpmh)]n (1), was synthesized. Powder X‐ray diffraction (PXRD), thermogravimetric analysis (TGA), infrared spectroscopy (IR) and elemental analysis (EA) were used to characterize the crystal structure. Complex 1 presents a 2D planar structure, which accumulates into a 3D spatial structure through C‐H…π interactions. Complex 1 has multi‐response photoluminescence sensing characteristic. It has excellent selectivity and sensitivity to Fe3+, CrO42− and Cr2O72− in domestic sewage and Nitrofurazone (NFZ) antibiotic. In addition, the fluorescence quenching mechanisms were also discussed.
Revisiting the pyrolysis of 1,5‐diaryl‐1,2,5‐triazapentadienes: A computational reaction mechanism study
Authors: Fıstıkçı Meryem , Eşsiz Selçuk 
Published: September 2022

AbstractA computational study of the pyrolysis of 1,5‐diaryl‐1,2,5‐triazapentadiene derivatives is carried out employing density functional theory (DFT) and high‐level coupled‐cluster methods, such as coupled‐cluster singles and doubles with perturbative triples [DLPNO‐CCSD(T)]. Our results demonstrate that the reaction proceeds through the products formed by the electrocyclization, as opposed to the mechanism suggested by Mcnab (J. Chem. Soc., Chem. Commun. 1980, 422–423), in which the reaction proceeds by starting via formation of the iminyl radicals. Our results demonstrate that the products formed by electrocyclization are responsible for the formation of iminyl radicals, contrary to homolysis of N−N bond of 1,5‐diaryl‐1,2,5‐triazapentadiene derivatives proposed by Mcnab. Besides, our results showing that the reaction starts with the electrocyclization very well clarify why the formation of ortho‐cyclization product, contrary to ipso‐cyclization from 1,5‐diaryl‐1,2,5‐triazapentadiene derivatives as the main product. Therefore, our results are in agreement with the experimental results for pyrolysis of 1,5‐diaryl‐1,2,5‐triazapentadiene derivatives.
Chiral‐Solvent‐Mediated Manganese‐Based Hierarchical Supraparticles with Chiroptical Activity
Authors: Zhang Hongyu , Hao Changlong , Xu Liguang , Xu Chuanlai , Kuang Hua 
Published: September 2022

AbstractIn this study, manganese‐based multiply hierarchical chiral supraparticles (SPs), with an anisotropy factor (g‐factor) of 0.102 and circular dichroism (CD) intensity of 260 mdeg at 530 nm, are successfully synthesized with polar‐solvent‐mediated strategies. Notably, the g‐factor of the SPs is further enhanced to 0.121 by the addition of an external chiral solvent, generating a chiral biased environment, which increases their CD intensity to 320 mdeg at 500 nm. The mechanism underlying the different chirality is proposed to be a difference in the angle of tilt of ±33° between the two enantiomers of the chiral SPs, which involves a difference of ±7° between the orientation of individual nanoplatelets. Chiral solvents induce the angle between adjacent nanoplatelets to get smaller than the original structure that leads to their higher anisotropic value. These findings potentially provide a practical method for the construction of complex chiral superstructures and the regulation of chiroptical activity.
Synergistic Chaotropic Effect and Cathode Interface Thermal Release Effect Enabling Ultralow Temperature Aqueous Zinc Battery
Authors: Dong Qi , Ao Huaisheng , Qin Zili , Xu Zhibin , Ye Jiajia , Qian Yitai , Hou Zhiguo 
Published: September 2022

AbstractAlthough rechargeable zinc‐ion batteries are promising candidates for next‐generation energy storage devices, their inferior performance at subzero temperatures limits their practical application. Here, a strategy to destroy the H‐bond network by adding synergistic chaotropic regents is reported, thus reducing the freezing point of the aqueous electrolyte below −90 °C. Owing to the synergistic chaotropic effect between urea and Zn(ClO4)2 and the thermal release effect on the cathode interface during charging, Zn//VO2 batteries feature a specific capacity of 111.4 mAh g−1 and stability after ≈1000 cycles with 81.9% capacity retention at −40 °C. This work demonstrates that the synergistic chaotropic effect and the thermal effect on the interface can effectively widen the operation range of temperature of aqueous electrolytes and maintain fast kinetics, which provides a new design strategy for all‐weather aqueous zinc batteries.
Magnetic Field Manipulation of Tetrahedral Units in Spinel Oxides for Boosting Water Oxidation
Authors: Lyu Xiao , Zhang Yanan , Du Zhengwei , Chen Hao , Li Sicheng , Rykov Alexandre I. , Cheng Chen , Zhang Weina , Chang Ling , Kai Wang , Wang Junhu , Zhang Liang , Wang Qiang , Huang Chengxi , Kan Erjun 
Published: September 2022

AbstractMagnetic field enhanced electrocatalysis has recently emerged as a promising strategy for the development of a viable and sustainable hydrogen economy via water oxidation. Generally, the effects of magnetic field enhanced electrocatalysis are complex including magnetothermal, magnetohydrodynamic and spin selectivity effects. However, the exploration of magnetic field effect on the structure regulation of electrocatalyst is still unclear whereas is also essential for underpinning the mechanism of magnetic enhancement on the electrocatalytic oxygen evolution reaction (OER) process. Here, it is identified that in a mixed NiFe2O4 (NFO), a large magnetic field can force the Ni2+ cations to migrate from the octahedral (Oh) sites to tetrahedral (Td) sites. As a result, the magnetized NFO electrocatalyst (NFO‐M) shows a two‐fold higher current density than that of the pristine NFO in alkaline electrolytes. The OER enhancement of NFO is also observed at 1 T (NFO@1T) under an operando magnetic field. Our first‐principles calculations further confirm the mechanism of magnetic field driven structure regulation and resultant OER enhancement. These findings provide a strategy of manipulating tetrahedral units of spinel oxides by a magnetic field on boosting OER performance.
Relational holon science and Popper's 3 worlds in engineering practice
Authors: Blockley David , Smith Gary , Godfrey Patrick , Kineman John J. 
Published: September 2022

AbstractThe purpose of this paper is to outline, briefly, Rosen's relational theory of biology engendered relational holon science and Popper's metaphysical ontology of ‘three worlds’ as the shared physical and non‐physical. We consider both theories, explore their similarities and to begin to interpret and integrate them into new ways of thinking about the processes of creating engineered systems We propose a model that consists of holons set in a holarchy that is based on a modern interpretation of Aristotle's four causes. Relational holon science is mathematically sound through the causal closure of a holon and formal consistency in category theory. The schema relates the material reality of Popper's world1 and the formal knowledge of world3 through the subjective/experiential world2. The overall aim is to help to improve engineering practice within a theoretical foundation for practical common‐sense schema such as Plan, Do Check and Act (PDCA) and Observe, Orient, Decide and Act (OODA) and a different worldview of our natural world.
A soft systems inquiry into the notion of ‘food deserts’ during the Covid‐19 pandemic
Authors: Kramarova Pavla , Stowell Frank , Ries Jana 
Published: September 2022

AbstractThe severe restrictions placed upon face‐to‐face meetings during the Covid pandemic in 2020/2021 created new challenges for the on‐going research into food systems in the Portsmouth community. The researchers had planned to use soft action research which involves participants meeting face‐to‐face. The restrictions that were imposed during the pandemic forbade such meetings and created a new set of issues for the researchers to overcome. In this paper, we describe how these shortcomings were addressed and introduce a novel way of adapting soft action research through the use of Information and Communication Technologies. The lessons learnt from our experiences will help inform researchers and professionals using Soft methods of inquiry and open opportunities for others to explore further the benefits and disadvantages of online investigation.
Limbs kinematics of dogs exercising at different water levels on the underwater treadmill
Authors: Bliss Megan , Terry Jade , de Godoy Roberta Ferro 
Published: September 2022

AbstractBackgroundWith hydrotherapy rising in the United Kingdom, before understanding the effect of hydrotherapy in animals with pathologies, kinematics data for healthy animals is required.ObjectivesTo assess how different water levels on an underwater treadmill (UWTM) can affect joint kinematics.MethodsZinc oxide markers were placed on bony landmarks on the limbs of 10 healthy dogs, randomly split into five groups. An UWTM was used with water levels to the digits, tarsus, stifle and hip. The maximum flexion, extension and ROM were determined and a repeated measures ANOVA or Friedman's was used to determine significant differences.ResultsWe have detected various changes in kinematics following exercise at different water levels, in comparison with a dry treadmill, including consistent increases in flexion of the elbow, stifle and tarsal joints, which were observed for all water levels. The carpal joint had increases in flexion all water levels apart from digit level. An increase in shoulder flexion was seen only with water on or above stifle level, while hip kinematics had the fewest changes with only ROM increasing at high water level (hip level). Extension of the limbs joints was not markedly affected, with only a few data being significant. The carpal joint had an overall decrease in extension with water at all levels, and the stifle joint had a decreased extension when water was at stifle height.ConclusionsWater level can significantly affect joint kinematics, and knowledge of how each water level affects the joints is relevant to design tailored hydrotherapy protocols.
Thymoquinone improves folliculogenesis, sexual hormones, gene expression of apoptotic markers and antioxidant enzymes in polycystic ovary syndrome rat model
Authors: Alaee Sanaz , Mirani Maryam , Derakhshan Zahra , Koohpeyma Farhad , Bakhtari Azizollah 
Published: September 2022

AbstractBackgroundNowadays, polycystic ovary syndrome (PCOS) is a prevalent cause of infertility affecting women of reproductive age around the world. Thymoquinone is a natural antioxidant, derived from Nigella sativa.ObjectivesThe current study aimed to evaluate the protective effects of thymoquinone on the detrimental effects of PCOS rats induced with letrozole.MethodsThirty‐two female rats were randomly divided into four groups: (1) Control, (2) PCOS, (3) PCOS+5 mg/kg thymoquinone and (4) PCOS+10 mg/kg thymoquinone. Thymoquinone was administered every 3 days for 30 days. Ovaries were histopathologically and stereologically examined, and antioxidant and apoptotic enzymes gene expression in ovaries and sex hormones in serum were measured.ResultsThe number of unilaminar, multilaminar, antral, and graffian follicles, volume density of corpus luteum (p < 0.01), and GPx1 gene expression in ovaries and level of FSH in the blood increased in both thymoquinone groups when compared to untreated PCOS (p < 0.05). Ovaries in thymoquinone groups showed a significant reduction in the number of atretic follicles, ovary weight and volume, volume density of cortex and ovarian cysts, Bax gene expression (p < 0.01) and Bax/Bcl2 ratio as well as levels of luteinizing hormone (LH), LH/FSH ratio and testosterone (p < 0.05) in the blood of female rats when compared to PCOS group. Administration of thymoquinone restored the most detrimental effects of PCOS on ovaries (p < 0.01) and sexual hormones (p < 0.05) in rats.ConclusionsThese data suggest that thymoquinone has improved effects on ovarian function in the PCOS rat model. Therefore, thymoquinone might be useful as a protective agent and adjunct treatment in PCOS patients.
Vision Zero and Other Road Safety Targets
Authors: Edvardsson Björnberg Karin 
Published: September 2022

AbstractEvery year, around 1.3 million people are killed on the road and another 20–50 million are severely injured. This makes road safety one of the most critical global public health issues. To address the negative trend, the international community has responded with the adoption of road safety targets. Sustainable Development Goals 3.6 and 11.2 are two examples. Also at the national level, goals and targets are increasingly used to steer work towards improved road safety. The frequent use of goals and targets in road safety policy makes it interesting to investigate under what conditions the adopted goals can be expected to be achieved. This chapter summarizes the main themes and conclusions of research that have been conducted on goal-setting in road safety policy and management to date. Drawing on previous research, it outlines and discusses a set of criteria that road safety goals should meet in order to be achievement-inducing, that is, have the capacity to guide and induce efforts towards the vision of zero fatalities and serious injuries on the road.
Estimating Tropical Cyclone Vulnerability: A Review of Different Open-Source Approaches
Authors: Wilson Katy M. , Baldwin Jane W. , Young Rachel M. 
Published: September 2022

AbstractTropical cyclone (TC) risk assessments are critical for disaster preparedness and response. Alongside hazard and exposure, accurate TC risk assessment requires understanding the vulnerability of populations and assets. In this chapter, we examine multiple methods that have been used to assess and quantify TC vulnerability with a focus on open-source methods. We separately discuss structural, economic, and social (or demographic) vulnerability approaches. Structural vulnerability assesses the susceptibility of buildings to be affected by their exposure to hazards; in this section, we provide a detailed overview of how FEMA’s Hazus model quantifies damages by utilizing engineering principles. Economic vulnerability employs regression analysis to relate wind speeds to damages; this discussion explores typical functional forms used to represent vulnerability in such analysis and efforts to constrain parameters in these functions. Finally, social approaches use demographic data to characterize the varying susceptibility of populations to TC risk; we provide some representative examples of this methodology. We conclude with a comparative discussion of these three classes of methods, suggest directions for future work, and ask whether the different approaches can be combined to yield a more holistic view of both the human and structural aspects of TC vulnerability.
Downward Counterfactual Analysis in Insurance Tropical Cyclone Models: A Miami Case Study
Authors: Rye Cameron J. , Boyd Jessica A. 
Published: September 2022

AbstractThe insurance industry uses catastrophe models to assess and manage the risk from natural disasters such as tropical cyclones, floods, and wildfires. However, despite being designed to consider a credible range of future events, catastrophe models are ultimately calibrated on historical experience. This means that unexpected things can happen, either because risks that were overlooked or deemed immaterial turn out to be meaningful, or because black swans occur that scientists and insurers were not yet aware of. When faced with these types of extreme uncertainty, insurers can use downward counterfactual analysis to explore how historical events could have had more severe consequences (and help identify previously unknown or overlooked risks). In this chapter, we present a methodology for insurers to operationalise downward counterfactuals using tropical cyclone catastrophe models. The methodology is applied to three recent major hurricanes that were near misses for Miami—Matthew (2016), Irma (2017), and Dorian (2019). The results reveal downward counterfactuals that produce insured losses many times greater than what transpired, at up to 300x greater for Matthew, 25x for Irma, and 250x for Dorian. We argue that it is increasingly important for insurers to examine such near-miss events in a changing climate, particularly in disaster prone regions, like Miami, that might not have seen a large loss in recent years. By operationalising downward counterfactuals, insurers can increase risk awareness, stress-test risk management frameworks, and inform decision-making.
On the Kähler-Hodge structure of superconformal manifolds
Authors: Niarchos Vasilis , Papadodimas Kyriakos 
Published: September 2022

Abstract
We show that conformal manifolds in d ≥ 3 conformal field theories with at least 4 supercharges are Kähler-Hodge, thus extending to 3d $$ \mathcal{N} $$
N
= 2 and 4d $$ \mathcal{N} $$
N
= 1 similar results previously derived for 4d $$ \mathcal{N} $$
N
= 2 and $$ \mathcal{N} $$
N
= 4 and various types of 2d SCFTs. Conformal manifolds in SCFTs are equipped with a holomorphic line bundle ℒ, which encodes the operator mixing of supercharges under marginal deformations. Using conformal perturbation theory and superconformal Ward identities, we compute the curvature of ℒ at a generic point on the conformal manifold. We show that the Kähler form of the Zamolodchikov metric is proportional to the first Chern class of ℒ, with a constant of proportionality given by the two-point function coefficient of the stress tensor, CT. In cases where certain additional conditions about the nature of singular points on the conformal manifold hold, this implies a quantization condition for the total volume of the conformal manifold.
Quantization conditions and the double copy
Authors: Emond William T. , Moynihan Nathan , Wei Liangyu 
Published: September 2022

Abstract
We formulate Wilson loop observables as products of eikonal Wilson lines given in terms of on-shell scattering amplitudes. We derive the eikonal phases for dyons in both gauge theory and gravity, which we use to derive the Dirac-Schwinger-Zwanziger quantization condition and its relativistic gravitational (Taub-NUT) counterpart via the double copy. We also compute the Wilson loop for an anyon-anyon system, obtaining a relativistic generalisation of the Aharonov-Bohm phase for gravitational anyons.
Stable Vectors in Dual Vinberg Representations of F4
Authors: Romano Beth 
Published: September 2022

AbstractThis paper gives a classification of stable vectors in dual Vinberg representations coming from a graded Lie algebra of type F4 in a way that is independent of the field of definition. Relating these gradings to Moy–Prasad filtrations, we obtain the input for Reeder–Yu’s construction of epipelagic supercuspidal representations. As a corollary, this construction gives new supercuspidal representations of $F_{4}(\mathbb {Q}_{p})$

F

4

(

ℚ

p

)
when p is small.