bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analyzing the effect of Corporate Social Responsibility on Green Innovation Performance in the Spanish wine industry: A structural equation modeling analysis
Authors: Martínez‐Falcó Javier , Marco‐Lajara Bartolomé , Zaragoza‐Sáez Patrocinio , Millán‐Tudela Luis A. 
Published: May 2023

AbstractThe present research analyses how Corporate Social Responsibility (CSR) practices affect Green Innovation Performance (GIP) in the Spanish wine industry. To this end, a conceptual model is proposed and contrasted through a quantitative approach based on structural equation modeling with data collected from 202 Spanish wineries between September 2021 and January 2022. The results of the research indicate that there is a positive and significant relationship between CSR and GIP. In addition, Green Intellectual Capital (GIC) and Knowledge Management (KM) partially mediate the relationship between these two variables, playing a key role in the environmental management of wineries. The present research therefore contributes to the literature in several ways. First, the study advances the understanding of CSR in the Spanish wine industry, as well as its relationship with GIP. Second, the research aims to fill a gap in the literature by studying GIC and KM as mediating variables in this link, given that, to our knowledge, there are no previous studies that have analyzed mediating variables in the CSR–GIP relationship. Third, to the best of our knowledge, the proposed model has not been previously addressed in the academic literature, which represents an advance in scientific knowledge. [EconLit citations: L66, 03, M1].
Micro‐kinetic model of fructo‐oligosaccharide synthesis for prebiotic products
Authors: Pravilović Radoslava , Janković Tamara , Veljković Milica , Todić Branislav , Simović Milica , Bezbradica Dejan , Nikačević Nikola 
Published: May 2023

AbstractA new micro‐kinetic model of the enzyme‐catalyzed synthesis of fructo‐oligosaccharides (FOS) was developed. A commercial enzyme mixture Pectinex® Ultra SP‐L derived from Aspergillus aculeatus was used. A variety of initial enzyme concentrations (1–5 vol%) and sucrose concentrations (400–600 g/L) were experimentally investigated and included in kinetic modeling. Several variations of kinetic mechanisms and corresponding models have been examined. A hybrid genetic algorithm was used to predict the kinetic parameters simultaneously for all experimental data. The best fitting model has been adopted, and with an average error of 13.34%, it describes the experimental data very well. The influence of initial concentrations on the conversion of sucrose and production of FOS is being carefully investigated. It was shown that the initial sucrose concentration significantly affects the highest level of FOS concentration, but the enzyme concentration controls the time at which maximum is reached as well as the rate of FOS decomposition.
Enantioselective Synthesis of Azahelicenes through Organocatalyzed Multicomponent Reactions
Authors: Liu Wei , Qin Tianren , Xie Wansen , Zhou Jinmiao , Ye Zidan , Yang Xiaoyu 
Published: May 2023

AbstractWe have developed an efficient modular asymmetric synthesis of azahelicenes through an organocatalyzed asymmetric multicomponent reaction from readily available polycyclic aromatic amines, aldehydes, and (di)enamides, by employing a central‐to‐helical chirality conversion strategy. A series of aza[5]‐ and aza[4]helicenes bearing various substituents were readily afforded through this one‐pot sequential enantioselective Povarov reaction/oxidative aromatization process, with good yields and high enantioselectivities. The fruitful and diverse derivatizations of the chiral azahelicene products demonstrated the potential of this method, and a preliminary application of the azahelicene derivative as a chiral organocatalyst was showcased. The photophysical and chiroptical properties of these azahelicenes, particularly the acid/base‐triggered switching of these properties, were also well studied, which may find potential applications in the development of novel organic optoelectronic materials.
Single‐Site Carbon‐Supported Metal‐Oxo Complexes in Heterogeneous Catalysis: Structure, Reactivity, and Mechanism
Authors: Liu Yiqi , Agarwal Amol , Kratish Yosi , Marks Tobin J. 
Published: May 2023

AbstractWhen early transition metal complexes are molecularly grafted onto catalyst supports, well‐defined, surface‐bound species are created, which are highly active and selective single‐site heterogeneous catalysts (SSHCs) for diverse chemical transformations. In this minireview, we analyze and summarize a less conventional type of SSHC in which molybdenum dioxo species are grafted onto unusual carbon‐unsaturated scaffolds, such as activated carbon, reduced graphene oxide, and carbon nanohorns. The choice of earth‐abundant, low‐toxicity, versatile metal constituents, and various carbon supports illustrates “catalyst by design” principles and yields insights into new catalytic systems of both academic and technological interest. Here, we summarize experimental and computational investigations of the bonding, electronic structure, reaction scope, and mechanistic pathways of these unusual catalysts.
Mixed convective magnetized GO‐MoS2/H2O hybrid nanofluid flow about a permeable rotating disk
Authors: Kulkarni Madhavarao 
Published: May 2023

AbstractThe primary objective of the present numerical analysis is to investigate the effect of a mixed convection flow around a disk containing hybrid nanofluid as graphene oxide (GO)‐molybdenum disulfide (MoS2) nanoparticles and water (H2O). This study examines the impacts of surface suction/injection, slip effect, magnetohydrodynamic effect, the shape of nanoparticles, and heat transfer characteristics, on a disk is analyzed. This research applies to disk‐shaped structures in aeronautical engineering, geophysics, and nuclear engineering, such as core catchers in nuclear power plant steam turbines, waxy crude oils or food products in centrifugal pumps, turbo‐machinery, and other industrial processes. Nonlinear partial differential equations (PDEs) with subjected surface restrictions represent this study's governing equations. It's a PDE. The Von Karman transformation can simplify PDEs into non‐dimensional ordinary differential equations, which can be solved using the MATLAB bvp5c function. The research findings indicate that the presence of hybrid nanoparticles results in a significant increase in the heat transfer rate compared to that of the nanoliquid. Increasing the strength of the magnetic field slows down the flow of a hybrid nanofluid. The gradient value pronounces impacts with increasing slip factor. The heat transfer rate increases significantly with the increase of sphericity of the nanoparticles.
Fabrication of a novelPNflame retardant and its synergistic flame retardancy with expandable graphite on rigid polyurethane foam
Authors: Chen Yao , Bai Zhuyu , Xu Xiaoyu , Guo Xincheng , Guo Jianbing , Chen Xiaolang , Lu Zongcheng , Wu Hong 
Published: May 2023

AbstractAn innovative phosphorus‐nitrogen flame retardant (ZrMP) is fabricated by reacting a‐zirconium phosphate (a‐ZrP), phenylphosphinic acid with melamine, and applied to improve the flame retardancy of rigid polyurethane foam/expandable graphite (RPUF/EG) composites. The synergistic effect of ZrMP and EG on the flame retardancy and thermal stability of RPUF was examined by the limiting oxygen index (LOI), UL‐94 vertical burning test, and thermogravimetric analyses. Benefiting from the P and N elements of ZrMP and the expanded char layer of EG, the synergistic effect of ZrMP and EG endows FPUF with excellent flame retardant and thermal properties. The RPUF composites containing 12.5% EG and 2.5% ZrMP can achieve a V‐0 level and its LOI value increases to 26.7%. RPUF/EG/ZrMP composites exhibit good thermal stability compared with pure RPUF. Accordingly, the flame‐retardant mechanism of RPUF composites is proposed by thermogravimetric analyses/infrared, scanning electron microscopy, and X‐ray photoelectron spectroscopy. The results indicate a combination of physical barriers in condensed‐phase and gaseous‐phase dilution activity during combustion. Therefore, this study provides a scalable and promising strategy for constructing flame‐retardant RPUF composites.
Exercise preconditioning attenuates cerebral ischemia‐induced neuronal apoptosis, Th17/Treg imbalance, and inflammation in rats by inhibiting the JAK2/STAT3 pathway
Authors: Shan Yuan , Wang Le , Sun Jingying , Chang Sha , Di Wei , Lv Hua 
Published: May 2023

AbstractBackgroundExercise preconditioning (EP) is essential for preventing ischemic stroke. Recent studies have shown that EP exerts neuroprotective effects in the cerebral ischemia‐reperfusion injury model. Nonetheless, there have been few reports on the relationship between EP and the Th17/Treg balance. Moreover, it is unclear whether the JAK2/STAT3 pathway is responsible for the neuroprotective effect of EP. Therefore, we aimed to explore the impact of EP, other than the anti‐inflammatory and antiapoptotic functions, on the Th17/Treg balance via the JAK2/STAT3 pathway in a middle cerebral artery occlusion (MCAO)‐induced model.ResultsFifty rats were randomly allocated into five groups, including the sham group (n = 10), EP+sham group (n = 10), MCAO group (n = 10), EP+MCAO group (n = 10), and EP+MCAO+JAK2/STAT3 pathway agonist (coumermycin A1, CA1) group (n = 10). The results indicated that EP alleviated neurological deficits, reduced infarct volume, and ameliorated neuronal apoptosis induced by MCAO. Additionally, the MCAO‐induced Th17/Treg imbalance could be rectified by EP. The decreased levels of IL‐10 and Foxp3 and increased IL‐17 and RORα in the MCAO group were reversed by EP treatment. Regarding inflammation, EP reduced the concentrations of IL‐6 and IL‐17 and elevated those of IL‐10 and TGF‑β. The neuroprotective effects of EP were accompanied by decreased phosphorylation of JAK2 and STAT3. Furthermore, CA1 pretreatment diminished all the beneficial effects of EP partially.ConclusionOur findings suggest that EP contributes to attenuating neuronal apoptosis, Th17/Treg imbalance, and inflammation induced by MCAO via inhibiting the JAK2/STAT3 pathway, indicating its therapeutic potential in ischemic stroke.
Prognostic significance of increased preoperative red cell distribution width (RDW) and changes in RDW for colorectal cancer
Authors: Lu Xian , Huang Xiaofan , Xue Meng , Zhong Zhenyu , Wang Ran , Zhang Wen , Wang Lili , Qiao Yuhan , Ling Fei , Zhang Qian , Zhang Yueying 
Published: May 2023

AbstractBackgroundIncreased preoperative red cell distribution width (RDW) is associated with poor prognosis in several cancers, but the relationships between preoperative RDW and changes in RDW (ΔRDW) and colorectal cancer (CRC) prognosis remain unclear. Our study aimed to demonstrate the prognostic significance of increased preoperative RDW and ΔRDW for CRC.MethodsIn this retrospective analysis, we enrolled 833 patients who underwent CRC surgery between 2015 and 2019 at the Affiliated Hospital of Xuzhou Medical University, China. ΔRDW in our study was defined as RDW at 1 month after discharge minus preoperative RDW. According to receiver operating characteristic (ROC) curve analysis, we used cut‐off values of 13.5% for RDW, 0.9% for ΔRDW. The cumulative survival rate was determined using the Kaplan–Meier method, and significant differences were evaluated by the log‐rank test. Multivariable Cox regression model was applied to clarify the independent risk factors for overall survival (OS), which were used to construct a nomogram prediction model. The competing risk method was also applied, and we analyzed only patients with early‐stage disease (stage 0‐II) for sensitivity analysis.ResultsMultivariable Cox regression analysis demonstrated that age, RDW, ΔRDW, postoperative adjuvant chemotherapy, CEA, CA19‐9, ASA, TNM stage, and pathological type were independent factors for OS in CRC patients (all p < 0.05). These prognostic factors were used to establish and verify the OS nomogram. Poorer OS was linked to higher RDW (HR = 1.52; 95% CI, 1.11–2.08; p < 0.01) and ΔRDW (HR = 1.65; 95% CI, 1.19–2.28; p < 0.01) in all‐stage patients, and was only linked to higher RDW in early‐stage patients. In competing risk model, H‐RDW and H‐ΔRDW were confirmed to be independent risk factors for CSS in CRC patients.ConclusionsHigh preoperative RDW and ΔRDW are both risk factors for OS and CSS in CRC.
Characterization of an Unusual α‐Oxoamine Synthase Off‐Loading Domain from a Cyanobacterial Type I Fatty Acid Synthase
Authors: Ogonkov Andrei , Dieterich Cora L. , Meoded Roy A. , Piel Jörn , Fraley Amy E. , Sasso Severin 
Published: May 2023

AbstractType I fatty acid synthases (FASs) are known from higher eukaryotes and fungi. We report the discovery of FasT, a rare type I FAS from the cyanobacterium Chlorogloea sp. CCALA695. FasT possesses an unusual off‐loading domain, which was heterologously expressed in E. coli and found to act as an α‐oxoamine synthase (AOS) in vitro. Similar to serine palmitoyltransferases from sphingolipid biosynthesis, the AOS off‐loading domain catalyzes a decarboxylative Claisen condensation between l‐serine and a fatty acyl thioester. While the AOS domain was strictly specific for l‐serine, thioesters with saturated fatty acyl chains of six carbon atoms and longer were tolerated, with the highest activity observed for stearoyl−coenzyme A (C18). Our findings suggest a novel route to α‐amino ketones via the direct condensation of iteratively produced long‐chain fatty acids with l‐serine by a FAS with a cis‐acting AOS off‐loading domain.
G‐Quadruplexes as Key Transcriptional Regulators in Neglected Trypanosomatid Parasites
Authors: Monti Ludovica , Di Antonio Marco 
Published: May 2023

AbstractG‐quadruplexes (G4s) are nucleic acid secondary structures that have been linked to the functional regulation of eukaryotic organisms. G4s have been extensively characterised in humans and emerging evidence suggests that they might also be biologically relevant for human pathogens. This indicates that G4s might represent a novel class of therapeutic targets for tackling infectious diseases. Bioinformatic studies revealed a high prevalence of putative quadruplex‐forming sequences (PQSs) in the genome of protozoans, which highlights their potential roles in regulating vital processes of these parasites, including DNA transcription and replication. In this work, we focus on the neglected trypanosomatid parasites, Trypanosoma and Leishmania spp., which cause debilitating and deadly diseases across the poorest populations worldwide. We review three examples where G4‐formation might be key to modulate transcriptional activity in trypanosomatids, providing an overview of experimental approaches that can be used to exploit the regulatory roles and relevance of these structures to fight parasitic infections.
In Situ Bioreduction of Hexavalent Chromium‐Contaminated Water Using a Microbial Culture Barrier
Authors: Kholisa Buyisile , Matsena Mpumelelo T. , Chirwa Evans M. N. 
Published: May 2023

AbstractChromium (Cr) has been extensively used in many industrial applications. Inappropriate disposal of effluent has led to increased Cr concentrations in the environment. As a result, Cr(VI) has been classified under strict control measures by most national and international lists of highly toxic materials. Bioremediation of Cr(VI)‐contaminated effluents appears to be a more economical and environment‐friendly treatment method. This study investigates Cr(VI) removal in a bench‐scale bioreactor using municipal dried sludge as a permeable bioreactive barrier. The 20‐cm‐thick permeable bioreactive barrier with 30 % sludge and 70 % sand was able to achieve 95 % Cr(VI) removal during 90 operational days, demonstrating the effectiveness of the biological permeable reactive barrier system in treating Cr(VI)‐containing process effluent streams.
Synthesis and Characterization of Chicken Bone‐Derived Hydroxyapatite Incorporating Pectin
Authors: Teoh Min Wei , Ng Chui Kim , Lee Kit Yee Sara , Singh Ramesh , Ting Chen Hunt , Chuah Yea Dat , Lim Yuze Ignatius , Tan Chou Yong , Yeo Wei Hong 
Published: May 2023

AbstractHydroxyapatite (HA) was synthesized from chicken bone waste by calcination. Pectin was extracted from orange peels by microwave irradiation, and 1 and 3 wt % of pectin was incorporated into the HA. The resulting powders were then pressed into disk samples before being sintered at temperatures of 1050, 1150, and 1250 °C for 2 h. Various analytical techniques, including Fourier transform infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, density measurement, and Vickers microhardness tests, were used to evaluate the characteristics and mechanical properties of the samples. The incorporation of pectin did not interfere with the pure phases of HA, and minimal amounts of β‐tricalcium phosphate were detected in the XRD patterns. Both ball milling and the addition of pectin effectively reduced the particle size of HA. However, the addition of pectin above 1 wt % did not contribute significantly to the densification and hardness of chicken bone‐derived HA (CHA) compared with ball‐milled CHA. Samples sintered at 1050 °C had the lowest relative density, owing to incomplete particle fusion. Increasing the sintering temperature resulted in a maximum relative density of ca. 95 % and a Vickers microhardness of 4.12 GPa for ball‐milled CHA samples sintered at 1250 °C. Sintering temperature and ball milling were observed to play a more significant role in the densification and hardness of CHA compared with the addition of pectin.
Diimidazolium Salt HBDIM: An Easily Available, Low‐Cost, CageCarbene Precursor with Broad Applications in Transition Metal‐Catalyzed Reactions
Authors: Jiang Weikang , Huang Weichen , Xu Meichen , Leng Xuebing , Lu Long , Shen Qilong 
Published: May 2023

AbstractThe preparation of diimidazolium salt HBDIM 1, a precursor for a di‐NHCs ligand, from cheap and easily available agent hexabenzylhexaazaisowurtzitane (HBIW) is reported. Under basic conditions, HBDIM undergoes facile deprotonation to in situ generate CageCarbene, which could efficiently coordinate to transition‐metals, such as, Au, Cu or Pd, to give the corresponding bimetallic complexes 2–4. These complexes were isolated and fully characterized, including X‐ray diffraction of their single crystals. It was found that the steric hinderance of CageCarbene is similar to that of SIMes but smaller than that of IPr, and electronically, CageCarbene is a strong σ‐donator similar to SIMes and a stronger σ‐donator than IPr. Further studies showed that complexes 2–4 were highly reactive to catalyze up to 17 reactions. Control experiments utilizing a N‐benzyl‐substituted monoimidazolium salt showed much lower catalytic reactivity when it was bound to Au or Cu, but exhibited similar reactivity for the Pd complex. Kinetic studies showed that the low reactivity of the monodentate carbene‐ligated Au or Cu complex was due to the low stability of the complex under the reaction conditions.
Ionic Liquids and Electrolytes with Flexible Aromatic Anions
Authors: Ahmed Mukhtiar , Bhowmick Sourav , Filippov Andrei , Johansson Patrik , Shah Faiz Ullah 
Published: May 2023

AbstractFive new n‐tetrabutylphosphonium (P4444)+ cation‐based ionic liquids (ILs) with oligoether substituted aromatic carboxylate anions have been synthesized. The nature and position of the oligoether chain affect thermal stability (up to 330 °C), phase behaviour (Tg<−55 °C) and ion transport. Furthermore, with the aim of application in lithium batteries, electrolytes were created for two of the ILs by 10 mol% doping using the corresponding Li‐salts. This affects the ion diffusion negatively, from being higher and equal for cations and anions to lower for all ions and unequal. This is due to the stronger ionic interactions and formation of aggregates, primarily between the Li+ ions and the carboxylate group of the anions. Electrochemically, the electrolytes have electrochemical stability windows up to 3.5 V, giving some promise for battery application.
Comparison of Antiaromatic Properties in a Series of Structurally Isomeric Naphthothiophene‐Fused s‐Indacenes
Authors: Warren Gabrielle I. , Zocchi Luca J. , Zakharov Lev N. , Haley Michael M. 
Published: May 2023

AbstractFusion of aromatic subunits to stabilize an antiaromatic core allows the isolation and study of otherwise unstable paratropic systems. A complete study of a series of six naphthothiophene‐fused s‐indacene isomers is herein described. Additionally, the structural modifications resulted in increased π–π overlap in the solid state, which was further explored through changing the sterically blocking mesityl group to (triisopropylsilyl)ethynyl in three derivatives. The computed antiaromaticity of the six isomers is compared to the observed physical properties, such as NMR chemical shift, UV‐vis, and CV data. We find that the calculations predict the most antiaromatic isomer and give a general estimation of the relative degree of paratropicity for the remaining isomers, when compared to the experimental results.
Numerical modelling of rotating packed beds used for CO2 capture processes: A review
Authors: Singh Munendra Pal , Alatyar Ahmed Mongy , Berrouk Abdallah Sofiane , Saeed Muhammad 
Published: May 2023

AbstractOver the last decades, renewable and clean energy sources are being rigorously adopted along with carbon capture technologies to tackle the increasing carbon dioxide (CO2) concentration level in the environment. CO2 capture is a quintessential option for tackling global warming issues. In this context, the present paper has reviewed the process intensification equipment called a rotating packed bed (RPB), which is highly industry applicable due to high gravity (HiGee) force. This facilitates strong mass transfer characteristics, a compact design, and low energy consumption. In this review, the current research scenario of RPBs using numerical, computational fluid dynamics (CFD), and mathematical modelling, along with different machine learning approaches in the CO2 capture process, has been reviewed. The different geometry designs, hydrodynamic characteristics, performance parameters, research methods, and their effects on CO2 removal efficiency have been discussed. Furthermore, the latest experimental studies are also summarized, especially in the absorption and adsorption domain. Finally, recommendations have been given to support the RPBs in different industrial and commercial applications of CO2 removal.
High‐order iterative learning model predictive control for batch chemical processes
Authors: Zhou Chengyu , Jia Li , Zhou Yang 
Published: May 2023

AbstractIn order to address two‐dimensional (2D) control issue for a class of batch chemical processes, we propose a novel high‐order iterative learning model predictive control (HILMPC) method in this paper. A set of local state‐space models are first constructed to represent the batch chemical processes by adopting the just‐in‐time learning (JITL) technique. Meanwhile, a pre‐clustered strategy is used to lessen the computational burden of the modelling process and improve the modelling efficiency. Then, a two‐stage 2D controller is designed to achieve integrated control by combining high‐order iterative learning control (HILC) on the batch domain with model predictive control (MPC) on the time domain. The resulting HILMPC controller can not only guarantee the convergence of the system on the batch domain, but also guarantee the closed‐loop stability of the system on the time domain. The convergence of the HILMPC method is ensured by rigorous analysis. Two examples are presented in the end to demonstrate that the developed method provides better control performance than its previous counterpart.