bluuebunny/crossref_metadata_2025_split huggingface dataset:
Shale gas field development planning under production profile uncertainty
Authors: Peng Zedong , Li Can , Grossmann Ignacio E. , Kwon Kysang , Ko Sukjoon , Shin Joohyun , Feng Yiping 
Published: September 2021

AbstractIn shale gas field development, the major endogenous uncertainty comes from the production profile of candidate wells and its realization is dependent on the development decision. In this work, we apply multistage stochastic programming to address the shale gas field development planning problem under production profile uncertainty. Business realities such as budget limit and uncertainty resolution delay are also considered in the proposed model. To solve the multistage stochastic model, a Lagrangean decomposition method and a heuristic method are proposed. Computational results demonstrate the efficiency of the proposed methods on examples that are otherwise intractable. The optimal development strategy from the proposed model is analyzed under different levels of uncertainties. Different cases are further tested to figure out the impact of budget and resolution delay on development decisions.
The relationship between 2D:4D ratio and postpartum adult female variables in a Ghanaian population
Authors: Banyeh Moses , Amidu Nafiu , Quaye Lawrence 
Published: September 2021

AbstractObjectivesPostpartum hematological and anthropometric assessment is a requirement for optimal maternal and child health. The study aimed to determine the relationship between the 2D:4D ratio and postpartum hematological and anthropometric variables in adult females.MethodsThe study was cross‐sectional from December 2020 to April 2021 involving 272 postpartum adult females, aged between 18 and 36 years. The right (2D:4DR) and the left (2D:4DL) digit ratios were measured using computer‐assisted analysis. Fasting venous samples were collected at a median (interquartile range) of 111 (44–210) days postpartum and analyzed for total testosterone (TT), estradiol, sex hormone‐binding globulin, and complete blood count.ResultsThe mean ± standard deviation 2D:4DR and 2D:4DL were 0.94 ± 0.04 and 0.93 ± 0.04, respectively. As expected, the TT (r = −0.198, p = .015) and the free androgen index (FAI: r = −0.186, p = .019) were inversely correlated with the 2D:4DL while free testosterone (FT%: r = −0.157, p = .038) was inversely correlated with the 2D:4DR. The absolute basophile count (BASO: r = −0.124, p = .040) and the Platelet‐lymphocyte ratio (PLR: r = −0.153, p = .016) were inversely correlated with the 2D:4DL and the 2D:4DR respectively. In addition, the mean cell volume was inversely correlated with the 2D:4DR (r = −0.139, p = .024) and the 2D:4DL (r = −0.122, p = .045). Moreover, the 2D:4DR was inversely correlated with height (r = −0.164, p = .007). Unexpectedly, the red blood cell count (RBC: r = 0.138, p = .025) was positively correlated with the 2D:4DR.ConclusionThere are significant relationships between the 2D:4D ratio and postpartum female variables. These findings are useful preliminary reference data for postpartum research and subsequent 2D:4D ratio studies.
Dopaminergic signaling in prefrontal cortex contributes to the antidepressant effect of electroacupuncture: An iTRAQ‐based proteomics analysis in a rat model of CUMS
Authors: Zhang Jialing , Zhang Jiping , Zhang Zhinan , Zheng Yu , Zhong Zheng , Yao Zengyu , Cai Xiaowen , Lao Lixing , Huang Yong , Qu Shanshan 
Published: September 2021

AbstractElectroacupuncture (EA) is used as an adjunctive treatment for depression. This study was conducted to evaluate the efficacy and mechanisms of EA in the depressive rat model induced by chronic unpredictable mild stress (CUMS) in male adult Wistar rats. The underlying mechanisms were explored by using isobaric tags for relative and absolute quantitation (iTRAQ)‐based proteomic analysis of the proteins in the prefrontal cortex (PFC), and observing the number of the PFC neurons stained with hematoxylin and eosin (H&E) and synaptic morphological changes under transmission electron microscopy (TEM). The results showed that EA plus paroxetine (EA + Par) for 1 week significantly relieved depression‐like anhedonia symptoms and improved anxiety‐like behavior, accompanied by the improvements in synaptic morphology and a significant increase of PFC neurons. Moreover, EA or paroxetine alone significantly alleviated anhedonia symptoms after 2 weeks of intervention. Additionally, iTRAQ analysis showed that dopaminergic signaling was significantly altered in CUMS rats after 1 week of EA treatment. As the critical enzyme of this pathway, aromatic‐l‐amino‐acid decarboxylase (DDC) was significantly upregulated after the treatment with EA + Par for 1 week. These findings suggested that the dopaminergic signaling pathway in PFC may be involved in the antidepressant mechanisms of EA.
Aerobic Direct Dioxygenation of Terminal/Internal Alkynes to α‐Hydroxyketones by an Fe Porphyrin Catalyst
Authors: Kimura Kento , Kurahashi Takuya , Matsubara Seijiro 
Published: September 2021

AbstractWe herein report a new synthetic method for the preparation of α‐hydroxyketones by the dioxygenation of alkynes. The reaction proceeds at room temperature under the action of Fe porphyrin and pinacolborane under air as a green oxidant to produce α‐hydroxyketones. The mild reaction conditions allow chemoselective oxidation with functional group tolerance. Terminal alkynes in addition to internal alkynes are applicable, affording unsymmetrical α‐hydroxyketones that are difficult to obtain by any reported dioxygenation of unsaturated C−C bonds.
The costs of bipolar disorder in the United Kingdom
Authors: Simon Judit , Pari Anees A. Abdul , Wolstenholme Jane , Berger Michael , Goodwin Guy M. , Geddes John R. 
Published: September 2021

AbstractObjectivesTo estimate the individual cost and population‐level economic burden of Bipolar Disorder (BD), and explore the impact of clinical and sociodemographic factors on costs in the United Kingdom.MethodsAnnual UK health care, social care and societal cost data were collected from a prospective cohort of 91 BD patients using digital monitoring of symptoms. Costs (in £) were calculated for the year of resource use collection (2010–2011) and main results inflated to year 2018–2019. A Generalized Estimating Equation framework was used to investigate individual factors influencing costs. An economic burden estimate was derived by multiplying the mean annual cost per patient with literature‐based population prevalence.ResultsThe average annual cost of BD per patient was £12,617 (SE = ±£1085) or £14,938 (SE = ±£1281) at 2018–2019 prices with 68% of the total costs attributed to lost productivity and informal care, 31% to health care costs, 1% to private out‐of‐pocket expenses, and 0.5% to social care costs. A unit increase in average levels of depressive or manic symptoms were associated with 7% and 11% higher societal costs, respectively. The estimated annual prevalence of BD in the United Kingdom was 0.8% resulting in a population‐level economic burden estimate of £5.1 billion for 2010–2011 or £6.43 billion for 2018–2019.ConclusionsBD is a disease of substantial costs in the United Kingdom with the majority of the economic burden falling outside the health care system in the form of productivity losses and informal care. These costs highly correlate with patient outcomes highlighting further needs for improved treatment efforts into functionality.
The impact of positive psychotherapy of psychoses on the subjective well‐being of people suffering from chronic schizophrenia—Preliminary report
Authors: Kasperek‐Zimowska Beata , Bednarek Agata , Giguere Marta , Parnowska Dorota , Żochowska Agnieszka , Malewicz‐Sawicka Maryla 
Published: September 2021

AbstractPurpose of the studyThe aim of the study was to determine the impact of positive psychotherapy of psychosis (PPP) on well‐being in a group of patients diagnosed with chronic schizophrenia. Subjective well‐being was defined by three dimensions ‐ the sense of effectiveness, the affective balance and strengths of character.Study groupsThe sample consisted of an experimental group of patients (patients diagnosed with schizophrenia participating in PPP and other therapeutic and rehabilitation classes), a control group of patients (patients diagnosed with schizophrenia participating in all classes except PPP) and a control group of healthy people. There were 25 people in each group.MethodThe impact of PPP on subjective well‐being was measured before and after classes in both patient and control groups of healthy people using the following measures: Generalized Self‐Efficacy Scale, Positive and Negative Experience Scale and Strengths Questionnaire (IPIP‐VIA).ResultsThe subjective well‐being was defined by (a) sense of effectiveness: the experimental group of patients achieved significantly higher level of agency compared with the state before the classes. (b) Affective balance: after the end of PPP classes, there was a sevenfold and 12‐fold increase in the number of positive emotions in both groups of patients. (c) Character strengths: After the end of therapeutic activities, the patient groups did not differ in terms of character strengths.ConclusionsPositive psychotherapy of psychosis may increase the subjective well‐being of patients with chronic schizophrenia. It increases the sense of agency and the number of positive emotions experienced.
Discovery, Biocatalytic Exploration and Structural Analysis of a 4‐Ethylphenol Oxidase from Gulosibacter chungangensis
Authors: Alvigini Laura , Gran‐Scheuch Alejandro , Guo Yiming , Trajkovic Milos , Saifuddin Mohammad , Fraaije Marco W. , Mattevi Andrea 
Published: September 2021

AbstractThe vanillyl‐alcohol oxidase (VAO) family is a rich source of biocatalysts for the oxidative bioconversion of phenolic compounds. Through genome mining and sequence comparisons, we found that several family members lack a generally conserved catalytic aspartate. This finding led us to study a VAO‐homolog featuring a glutamate residue in place of the common aspartate. This 4‐ethylphenol oxidase from Gulosibacter chungangensis (Gc4EO) shares 42 % sequence identity with VAO from Penicillium simplicissimum, contains the same 8α‐N3‐histidyl‐bound FAD and uses oxygen as electron acceptor. However, Gc4EO features a distinct substrate scope and product specificity as it is primarily effective in the dehydrogenation of para‐substituted phenols with little generation of hydroxylated products. The three‐dimensional structure shows that the characteristic glutamate side chain creates a closely packed environment that may limit water accessibility and thereby protect from hydroxylation. With its high thermal stability, well defined structural properties and high expression yields, Gc4EO may become a catalyst of choice for the specific dehydrogenation of phenolic compounds bearing small substituents.
Progress on breeding and food processing efforts to improve chemical composition and functionality of intermediate wheatgrass (Thinopyrum intermedium) for the food industry
Authors: Bharathi Radhika , Muljadi Timothea , Tyl Catrin , Annor George Amponsah 
Published: September 2021

AbstractBackground and objectivesPreviously used as forage crop, the perennial cereal grain Thinopyrum intermedium or intermediate wheatgrass (IWG) is currently being investigated as a novel food crop. The motivation behind these endeavors lies in its perennial growth habit, which provides numerous ecosystem services. This paper discusses how IWG breeding has affected its chemical composition and how processing strategies can leverage its potential as an ingredient.FindingsBreeding has increased IWG seed size and starch contents, mostly at the expense of dietary fiber. While average protein contents have decreased, they still surpass those of most annual cereals such as bread wheat. Refined IWG displays better functional characteristics, presumably because it contains less insoluble fiber. However, refining may impact other nutritional properties of interest, for example, glycemic index. Tempering facilitates bran removal while maintaining protein and carotenoid contents. Steam treatment reduced enzymatic activity of whole and refined IWG flours over storage.ConclusionsThe combination of breeding and processing can modify IWG’s chemical composition and enhance its functionality to make it competitive to commonly consumed annual cereal grains.Significance and noveltyA review on breeding effects on IWG composition and successful processing strategies can assist in product development work as the grain enters the marketplace.
Electrocatalytic Oxidation of Methanol over An Electrode with Ni‐MOF‐74 Catalyst
Authors: Ma Jieyu , Wang Xueyang , Chu Zhengkun , Zhang Jing , Du Peng , Zhang Qianli , Cao Feng , Liu Jie 
Published: September 2021

AbstractDeveloping non‐noble metal catalysts for methanol oxidation in fuel cells is of importance. In this work, Ni‐MOF‐74 was synthesized through a simple solvothermal method and fully characterized. The as‐made Ni‐MOF‐74 modified carbon paste electrode (Ni‐MOF‐74/CPE) was applied for methanol electrooxidation reaction in 0.1 M NaOH solution. Ni‐MOF‐74 had high electrochemical stability and exhibited good electrocatalytic property for methanol oxidation, a mechanism for the reaction was proposed, the current density increases impressively on Ni‐MOF‐74/CPE compared with carbon paste electrode, and a really high catalytic rate constant (kcat) of 8.1×105 cm3 ⋅ mol−1 ⋅ s−1 was obtained in this work. The given results indicate that Ni‐MOF‐74 can be a promising candidate of electrocatalysts for direct methanol fuel cells (DMFCs).
Regulating adsorption ability toward polysulfides in a porous carbon/Cu3P hybrid for an ultrastable high‐temperature lithium–sulfur battery
Authors: Guo Yichuan , Khatoon Rabia , Lu Jianguo , He Qinggang , Gao Xiang , Yang Xiaopeng , Hu Xun , Wu Yang , Lian Jiale , Li Zhoupeng , Ye Zhizhen 
Published: September 2021

AbstractLithium–sulfur batteries (LSBs) can work at high temperatures, but they suffer from poor cycle life stability due to the “shuttle effect” of polysulfides. In this study, pollen‐derived porous carbon/cuprous phosphide (PC/Cu3P) hybrids were rationally synthesized using a one‐step carbonization method using pollen as the source material, acting as the sulfur host for LSBs. In the hybrid, polar Cu3P can markedly inhibit the “shuttle effect” by regulating the adsorption ability toward polysulfides, as confirmed by theoretical calculations and experimental tests. As an example, the camellia pollen porous carbon (CPC)/Cu3P/S electrode shows a high capacity of 1205.6 mAh g−1 at 0.1 C, an ultralow capacity decay rate of 0.038% per cycle after 1000 cycles at 1 C, and a rather high initial Coulombic efficiency of 98.5%. The CPC/Cu3P LSBs can work well at high temperatures, having a high capacity of 545.9 mAh g−1 at 1 C even at 150°C. The strategy of the PC/Cu3P hybrid proposed in this study is expected to be an ideal cathode for ultrastable high‐temperature LSBs. We believe that this strategy is universal and worthy of in‐depth development for the next generation energy storage devices.
Spectral Signatures of Oxidation States in a Manganese‐Oxo Cubane Water Oxidation Catalyst
Authors: Mai Sebastian , Klingler Sarah , Trentin Ivan , Kund Julian , Holzer Marcus , Andreeva Anastasia , Stach Robert , Kranz Christine , Streb Carsten , Mizaikoff Boris , González Leticia 
Published: September 2021

AbstractWe report IR and UV/Vis spectroscopic signatures that allow discriminating between the oxidation states of the manganese‐based water oxidation catalyst [(Mn4O4)(V4O13)(OAc)3]3−. Simulated IR spectra show that V=O stretching vibrations in the 900–1000 cm−1 region shift consistently by about 20 cm−1 per oxidation equivalent. Multiple bands in the 1450–1550 cm−1 region also change systematically upon oxidation/reduction. The computed UV/Vis spectra predict that the spectral range above 350 nm is characteristic of the managanese‐oxo cubane oxidation state, whereas transitions at higher energy are due to the vanadate ligand. The presence of absorption signals above 680 nm is indicative of the presence of MnIII atoms. Spectroelectrochemical measurements of the oxidation from [Mn
Mn
] to [Mn
] showed that the change in oxidation state can indeed be tracked by both IR and UV/Vis spectroscopy.
Machine Learning Based Suggestions of Separation Units for Process Synthesis in Process Simulation
Authors: Oeing Jonas , Henke Fabian , Kockmann Norbert 
Published: September 2021

AbstractAs part of Industry 4.0, workflows in the process industry are becoming increasingly digitalized. In this context, artificial intelligence (AI) methods are also finding their way into the process development. In this communication, machine learning (ML) algorithms are used to suggest suitable separation units based on simulated process streams. Simulations that have been performed earlier are used as training data and the information is learned by machine learning models implemented in Python. The trained models show good, reliable results and are connected to a process simulator using a .NET framework. For further optimization, a concept for the implementation of user feedback will be assigned. The results will provide the fundamental basis for future AI‐based recommendation systems.
Grundsätzliche Ansätze zur Verbesserung der Ressourceneffizienz in der Metallindustrie
Authors: Sauter Andreas , Hochstädt Daniel , Seelig Jan Henning , Hansen Florian , Zeller Torsten 
Published: September 2021

AbstractOhne intensive Nutzung von Metallen wäre die Umsetzung von aktuellen Strategien wie die Realisierung der regenerativen Energiegewinnung oder der Elektromobilität in Deutschland undenkbar. Eine gesicherte Versorgung der Industrie mit allen Primärmetallen kann durch faktische Monopolstrukturen sowie tendenziell sinkenden Erzgehalten nicht als garantiert angesehen werden. Durch eine verbesserte Kreislaufführung kann die Ressourceneffizienz erhöht und die Importabhängigkeit reduziert werden. Damit einhergehende Herausforderungen und mögliche Lösungsansätze werden thematisiert.
Dissolution behaviour of different rank coals in L‐glutamic acid N, N‐diacetic acid chelating agent: Implications to enhance coalbed methane recovery by acid stimulation
Authors: Chen Shuya , Yang Xianyu , Shi Yanping , Wei Zhaohui , Zhang Jie , Cai Jihua 
Published: September 2021

AbstractAcid stimulation is a promising method in improving coal seam permeability by demineralization in coal cleats. However, using conventional acids such as HCl and mud acid (12 wt.% HCl + 3 wt.% HF) may cause clay breakage, migration, and precipitation, leading to formation damage. In this study, we investigated the effect of L‐glutamic acid N, N‐diacetic acid (GLDA) chelating agent treatment on the dissolution behaviour of lignite (Coal L) and anthracite (Coal A), collected from Er′Lian Basin and Qinshui Basin, China. Characteristics of the raw and acid treated coal samples, including mercury intrusion porosimetry (MIP) results as well as metal elements distribution analysis of reacted leachates, micromorphology, mineral composition, and mass change were taken into consideration. It was found that high‐rank Coal A is more suitable for chemical stimulation. For both Coal L and Coal A, 5 wt.% GLDA solution is preferred to avoid sticking reaction products. Total porosities of Coal L and Coal A were increased by 3.9 and 1.1 times, respectively. Based on the water chemistry analysis of the reacted solutions, we found that acidic condition is beneficial for clay minerals and carbonates dissolution, while alkaline condition is favourable for the dissolution of quartz. Besides, the dissolution of minerals can trigger the release of trace elements, which is a potential environmental risk that needs to be taken into consideration before its in‐situ application in coal fields.
Moisture removal behaviour of single hard lignite particle during drying and quantitative characterization for its surface damage
Authors: Gao Mingqiang , Wan Keji , Miao Zhenyong , He Qiongqiong , Ji Pengchao , Xue Shuwen , Dong Xiuyong 
Published: September 2021

AbstractIt is extremely meaningful to study the damage behaviour of lignite for safe operation during the drying process. In this study, a single hard lignite particle (SHLP) was prepared for drying. The drying characteristics of an SHLP were described, and its drying kinetics were studied from the perspective of the drying model and effective diffusion coefficient (Deff). The development of surface cracks in drying were obtained, and the changes in surface damage were quantitatively described by relative crack rate (RCR). The results showed that the drying process for an SHLP was divided into three stages following the slope of the drying curve. The rapid removal of a large proportion of moisture mainly occurred in stage I. The Page model is the best model for describing the drying of an SHLP. In addition, Deff increased with increasing drying time. High temperature promoted the moisture transfer from the inside to the surface of an SHLP. Finally, surface cracks on the SHLP developed rapidly in the early drying stage; specifically, the primary cracks widened and lengthened, and the small cracks mainly attached to the primary cracks. In the later drying stage, cracks shrank and cracks in the branch structure closed. High drying temperature made the RCR of an SHLP reach the maximum value more quickly in stage I.
Computer‐Aided Living Polymerization Conducted under Continuous‐Flow Conditions†
Authors: Wang Zeyu , Zhou Yang , Chen Mao 
Published: September 2021

Comprehensive SummaryContinuous‐flow techniques have promoted the development of synthetic chemistry due to advantages such as outstanding mass/heat transfer, on‐demand scalability, improved safety, precise regulation on reaction parameters, etc. Recently, the combination of flow polymerization with computer science has gained considerable interests, leading to a variety of cutting‐edge synthetic techniques. This review summarizes emerging achievements realized via the integration of computer science and living flow polymerizations, including 1) high‐throughput living polymerizations in flow, 2) programmable regulations of dispersity profile, sequence and topology for polymers, 3) modular design with online monitoring, as well as 4) self‐optimized living polymerizations in flow. We expect that this summary will furnish informative knowledge to scientists in related directions and inspire new ideas to further empower on‐demand polymer engineering with modern techniques.
Structural Evolution of Pt, Au and Cu Anodes by Electrolysis up to Contact Glow Discharge Electrolysis in Alkaline Electrolytes**
Authors: Artmann Evelyn , Menezes Pramod V. , Forschner Lukas , Elnagar Mohamed M. , Kibler Ludwig A. , Jacob Timo , Engstfeld Albert K. 
Published: September 2021

AbstractApplying a voltage to metal electrodes in contact with aqueous electrolytes results in the electrolysis of water at voltages above the decomposition voltage and plasma formation in the electrolyte at much higher voltages referred to as contact glow discharge electrolysis (CGDE). While several studies explore parameters that lead to changes in theI–Ucharacteristics in this voltage range, little is known about the evolution of the structural properties of the electrodes. Here we study this aspect on materials essential to electrocatalysis, namely Pt, Au, and Cu. The stationaryI–Ucharacteristics are almost identical for all electrodes. Detailed structural characterization by optical microscopy, scanning electron microscopy, and electrochemical approaches reveal that Pt is stable during electrolysis and CGDE, while Au and Cu exhibit a voltage‐dependent oxide formation. More importantly, oxides are reduced when the Au and Cu electrodes are kept in the electrolysis solution after electrolysis. We suspect that H2O2(formed during electrolysis) is responsible for the oxide reduction. The reduced oxides (which are also accessibleviaelectrochemical reduction) form a porous film, representing a possible new class of materials in energy storage and conversion studies.