bluuebunny/crossref_metadata_2025 huggingface dataset:
The Regulatory Roles of Mitochondrial Metabolism Dynamics and Mitochondria Calcium Uniporter (MCU) in Bevacizumab Resistance of GBM
Authors: Kim Yejin , Kwak Chulhwan , Park Jong Bae , Nam Do‐Hyun , Rhee Hyun‐Woo , Kim Sung Soo
Published: May 2023

Adapted oxidative phosphorylation (OXPHOS) and tricarboxylic acid (TCA) cycle activations are essential tumor microenvironments for abnormal energy consumption to acquire malignancy and drug resistance during cancer development and progression. To elucidate the molecular mechanism related to the mitochondrial metabolic dynamics and drug resistance in glioblastoma (GBM), a longitudinal GBM orthotopic mouse model with acquired resistance to bevacizumab is established. The longitudinal proteomic analysis results show that OXPHOS, TCA, and calcium signaling gene sets are enriched in the bevacizumab pre‐resistance phase for preparing resistance phase. Then, the APEX system to GBM to biotinylate and purify proteins of the mitochondria matrix is applied. The organelle specific proteomic analysis shows that the pore‐forming subunits of the mitochondrial calcium uniporter protein (MCU) are essential for acquiring bevacizumab resistance. Additionally, a combination effect of hypoxia and the MCU‐specific inhibitor DS16570511 in vitro shows that cell growth and proliferation are reduced via inhibition of NF‐κB and CEBP/β signaling pathways. In conclusion, the hypoxic tumor microenvironment induced by bevacizumab treatment affects mitochondrial metabolic dynamics, and targeting MCU is a promising therapeutic option in combination with bevacizumab in recurrent GBM.
Long‐Chain Acyl Carnitines Aggravate Polystyrene Nanoplastics‐Induced Atherosclerosis by Upregulating MARCO
Authors: Wang Bo , Liang Boxuan , Huang Yuji , Li Zhiming , Zhang Bingli , Du Jiaxin , Ye Rongyi , Xian Hongyi , Deng Yanhong , Xiu Jiancheng , Yang Xingfen , Ichihara Sahoko , Ichihara Gaku , Zhong Yizhou , Huang Zhenlie
Published: May 2023

Exposure to micro‐ and nanoplastics (MNPs) is common because of their omnipresence in environment. Recent studies have revealed that MNPs may cause atherosclerosis, but the underlying mechanism remains unclear. To address this bottleneck, ApoE−/− mice are exposed to 2.5–250 mg kg−1 polystyrene nanoplastics (PS‐NPs, 50 nm) by oral gavage with a high‐fat diet for 19 weeks. It is found that PS‐NPs in blood and aorta of mouse exacerbate the artery stiffness and promote atherosclerotic plaque formation. PS‐NPs activate phagocytosis of M1‐macrophage in the aorta, manifesting as upregulation of macrophage receptor with collagenous structure (MARCO). Moreover, PS‐NPs disrupt lipid metabolism and increase long‐chain acyl carnitines (LCACs). LCAC accumulation is attributed to the PS‐NP‐inhibited hepatic carnitine palmitoyltransferase 2. PS‐NPs, as well as LCACs alone, aggravate lipid accumulation via upregulating MARCO in the oxidized low‐density lipoprotein‐activated foam cells. Finally, synergistic effects of PS‐NPs and LCACs on increasing total cholesterol in foam cells are found. Overall, this study indicates that LCACs aggravate PS‐NP‐induced atherosclerosis by upregulating MARCO. This study offers new insight into the mechanisms underlying MNP‐induced cardiovascular toxicity, and highlights the combined effects of MNPs with endogenous metabolites on the cardiovascular system, which warrant further study.
Mass Production of Customizable Core–Shell Active Materials in Seconds by Nano‐Vapor Deposition for Advancing Lithium Sulfur Battery
Authors: Feng Lanxiang , Zhu Zhiwei , Yan Rui , Fu Xuewei , He Xuewei , Wu Dichen , Li Hua , Guo Zaiping , Yang Wei , Wang Yu
Published: May 2023

Rational design and scalable production of core–shell sulfur‐rich active materials is vital for not only the practical success of future metal–sulfur batteries but also for a deep insight into the core–shell design for sulfur‐based electrochemistry. However, this is a big challenge mainly due to the lack of efficient strategy for realizing precisely controlled core–shell structures. Herein, by harnessing the frictional heating and dispersion capability of the nanostorm technology developed in the authors’ laboratory, it is surprisingly found that sulfur‐rich active particles can be coated with on‐demand shell nanomaterials in seconds. To understand the process, a micro‐adhesion guided nano‐vapor deposition (MAG‐NVD) working mechanism is proposed. Enabled by this technology, customizable nano‐shell is realized in a super‐efficient and solvent‐free way. Further, the different roles of shell characteristics in affecting the sulfur‐cathode electrochemical performance are discovered and clarified. Last, large‐scale production of calendaring‐compatible cathode with the optimized core–shell active materials is demonstrated, and a Li–S pouch‐cell with 453 Wh kg−1@0.65 Ah is also reported. The proposed nano‐vapor deposition may provide an attractive alternative to the well‐known physical and chemical vapor deposition technologies.
Self‐Degradable Nanogels Reshape Immunosuppressive Tumor Microenvironment via Drug Repurposing Strategy to Reactivate Cytotoxic CD8+ T Cells
Authors: Tian Hao , Li Wenxi , Wang Guohao , Tian Ye , Yan Jie , Zhou Songtao , Yu Xinying , Li Bei , Dai Yunlu
Published: May 2023

Intratumoral CD8+ T cells are crucial for effective cancer immunotherapy, but an immunosuppressive tumor microenvironment (TME) contributes to dysfunction and insufficient infiltration. Drug repurposing has successfully led to new discoveries among existing clinical drugs for use as immune modulators to ameliorate immunosuppression in TME and reactivate T‐cell‐mediated antitumor immunity. However, due to suboptimal tumor bioavailability, the full potential of immunomodulatory effects of these old drugs has not been realized. The self‐degradable PMI nanogels carrying two repurposed immune modulators, imiquimod (Imi) and metformin (Met), are reported for TME‐responsive drug release. It remodels the TME through the following aspects: 1) promoting dendritic cells maturation, 2) repolarizing M2‐like tumor‐associated macrophages, and 3) downregulating PD‐L1 expression. Ultimately, PMI nanogels reshaped the immunosuppressive TME and efficiently promote CD8+ T cell infiltration and activation. These results support that PMI nanogels can potentially be an effective combination drug for enhancing the antitumor immune response of anti‐PD‐1 antibodies.
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

The 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

A 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

We 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

When 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

The 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

An 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

Background

Exercise 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.

Results

Fifty 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.

Conclusion

Our 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

Background

Increased 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.

Methods

In 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.

Results

Multivariable 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.

Conclusions

High 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

Type 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

G‐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

Chromium (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

Hydroxyapatite (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

The 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

Five 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

Fusion 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

Over 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

In 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.
Broadband NMR Relaxometry as a Powerful Technique to Study Molecular Dynamics of Ionic Liquids
Authors: Fraenza Carla C. , Greenbaum Steven G.
Published: May 2023

Fast field cycling nuclear magnetic resonance (FFC NMR) relaxometry technique has been demonstrated to be a useful analytical tool to investigate molecular dynamics in very diverse systems during the last decades. Of particular importance has been its application in studying ionic liquids, upon which this review article is based. Some of the research carried out on ionic liquids during the last ten years using this technique is highlighted in this article with the aim of promoting the favorable features of FFC NMR applied toward understanding dynamics of complex systems.
A New Technique for Calculating Kinetic and Thermodynamic Barriers for Nucleation Rates and Interfacial Energy of CaCO3 Prenucleation Nanoclusters at High Temperature Using TGA Models and In Situ Crystallization
Authors: Sabbarwal Shivesh , Srivastava Prachi , Verma Vivek Kumar , Kumar Manoj
Published: May 2023

Nucleation at different temperature levels can provide quantitative insights into the energy barrier associated with sub‐molecular nuclei. The accurate calculation of nucleation rates, thermodynamics, and interfacial energy for extremely small nanoclusters (1−2 nm) remains a challenge at high temperatures. Here, , are computed to estimate the nucleation rate of ultra‐small CaCO3 pre‐nucleation clusters (0.85 nm) from thermogravimetric analysis (TGA) experimental values in the temperature range from 555 to 795 K, by adopting the most accurate iterative iso‐conversional method and random nucleation dependent differential function , respectively. On the basis of these analyses, four mathematical models are presented for computing nucleation rates and interfacial energy (mJ m−2 variation with temperature and conversion for CaCO3 prenucleation clusters. Furthermore, experimental validation is also carried out in order to assess the existence of nucleation in CaCO3 pre‐nucleation clusters at high temperatures (500 °C) using X‐ray diffraction and experimental z(α) master plots. The TGA can be used to predict and understand nucleation rates for various nano systems.
Cognitive‐behavioral therapy for binge‐eating disorder for non‐responders to initial acute treatments: Randomized controlled trial
Authors: Grilo Carlos M. , Lydecker Janet A. , Gueorguieva Ralitza
Published: May 2023

Objective

Certain treatments have demonstrated acute efficacy for binge‐eating disorder (BED) but many patients who receive “evidence‐based” interventions do not derive sufficient benefit. Given the dearth of controlled research examining treatments for patients who fail to respond to initial interventions, this study tested the efficacy of cognitive‐behavioral therapy (CBT) for patients with BED who do not respond to initial acute treatments.

Methods

Prospective randomized double‐blind placebo‐controlled single‐site trial, conducted August 2017–December 2021, tested 16‐weeks of therapist‐led CBT for non‐responders to initial treatment (naltrexone/bupropion and/or behavioral therapy) for BED with obesity. Thirty‐one patients (mean age 46.3 years, 77.4% women, 80.6% White, mean BMI 38.99 kg/m2) who were non‐responders to initial acute treatments were randomized to CBT (N = 18) or no‐CBT (N = 13), in addition to continuing double‐blinded pharmacotherapy. Independent assessments were performed at baseline, throughout treatment, and posttreatment; 83.9% completed posttreatment assessments.

Results

Intention‐to‐treat remission rates were significantly higher for CBT (61.1%; N = 11/18) than no‐CBT (7.7%; N = 1/13). Mixed models of binge‐eating frequency (assessed using complementary methods) converged revealing a significant interaction between CBT and time and a significant main effect of CBT. Binge‐eating frequency decreased significantly with CBT but did not change significantly with no‐CBT. Since only four patients received behavioral treatment during the acute treatments, we performed “sensitivity‐type” analyses restricted to the 27 patients who received pharmacotherapy during the acute treatment and found the same pattern of findings for CBT versus no‐CBT.

Conclusions

Adult patients with BED who fail to respond to initial pharmacological treatments should be offered CBT.

Public Significance

Even with leading evidence‐based treatments for binge‐eating disorder, many patients do not derive sufficient benefit. Almost no controlled research has examined treatments for patients who fail to respond to initial interventions. This study found that that cognitive‐behavioral therapy was effective for patients with binge‐eating disorder who did not respond to initial interventions, with 61% achieving abstinence.
Synthesis of Spirocyclic and Fused Isoxazoline Building Blocks
Authors: Chalyk Bohdan A. , Izhyk Vitalii V. , Danyleiko Kyrylo , Sosunovych Bohdan , Vashchenko Bohdan V. , Zginnyk Oleksandr , Olshanska Violetta , Teodorovic Peter , Biitseva Angelina V. , Volochnyuk Dmitriy M. , Grygorenko Oleksandr O.
Published: May 2023

A highly efficient multigram synthesis of spirocyclic and fused isoxazoline building blocks is described. Isoxazoline‐3‐carboxylates were synthesized via a regioselective 1,3‐dipolar cycloaddition reaction of 2‐chloro‐2‐(hydroxyimino)acetate and carbo‐ or heterocyclic alkenes bearing endo‐ or exocyclic C=C double bonds, resulting in fused or spirocyclic isoxazolines, respectively. The preparation of up to 300 g of these compounds was achieved in a single run. The ester group of isoxazolines was then subjected to common synthetic transformations for the synthesis of corresponding building blocks, including alcohols, chlorides, azides, amines, aldehydes, carboxylic acids, amino acids and their derivatives, difluoromethyl‐substituted compounds, and bicyclic γ‐lactones. Additionally, a direct cycloaddition‐based approach to the synthesis of aminoalkyl‐ and chloromethyl‐substituted isoxazolines was proposed to improve their preparation. The described isoxazoline building blocks are expected to be valuable tools for drug discovery.
Toxicity of Coumaphos Residues in Beeswax Foundation to the Honey Bee Brood
Authors: Kast Christina , Droz Benoît , Kilchenmann Verena
Published: May 2023

Coumaphos is one of the most frequently detected pesticides in recycled beeswax. The objective was to assess the maximal level of coumaphos in foundation sheets that could exist without lethal effects on the honey bee larvae. Brood development was followed in cells drawn on foundation squares containing coumaphos ranging from 0 to 132 mg/kg. Furthermore, larval exposure was determined by measuring the coumaphos level in the drawn cells. Coumaphos levels in the initial foundation sheets up to 62 mg/kg did not increase brood mortality because the emergence rates of bees raised on these foundation squares were similar to controls (median of 51%). After a single brood cycle, coumaphos levels in the drawn cells were up to three times lower than the initial levels in foundation sheets. Hence, coumaphos levels of 62 mg/kg in the initial foundation sheets, almost the highest exposures, resulted in levels of 21 mg/kg in drawn cells. A significantly reduced emergence rate (median of 14%) was observed for bees raised on foundation sheets with initial coumaphos levels of 132 mg/kg, indicating increased brood mortality. Such levels resulted in coumaphos concentrations of 51 mg/kg in drawn cells, which is close to the median lethal concentration (LC50) as determined in previous in vitro experiments. In conclusion, brood mortality was increased on wax foundation sheets with initial coumaphos levels of 132 mg/kg, while no elevated mortality was observed for levels up to 62 mg/kg. Environ Toxicol Chem 2023;42:1816–1822. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Characterization of active Cerish fructan‐sumac extract composite films: Physical, mechanical, and antioxidant properties
Authors: Pakseresht Somaye , Hadree Jouhaina , Sedaghat Nasser
Published: May 2023

The biodegradable active films have the potential to increase the shelf life and safety of food products. In this study, the properties of Eremurus spectabilis (Cerish) root fructans (ESRF) film and its combination with Rhus coriaria L. (Sumac) extract (RCLE) at different concentrations (1%, 2%, 3%, and 4% w/w) were investigated. The Fourier transform infrared (FTIR) analysis determined the fingerprint region of fructans at 950–1150 cm−1 in all spectrograms. RCLE increased the interactions between the hydroxyl groups and the formation of intermolecular bonds in composite films. Elongation‐at‐break (EAB) and tensile strength (TS) did not change significantly. However, RCLE increased Young's modulus (YM) (p ˂ .05), thermal stability, and crystallinity of composite films. RCLE also increased the film thickness and decreased the water content, solubility, and swelling degree significantly. RCLE improved the reducing ability and free radical‐scavenging activity of composite films. Present results indicated that the ESRF/RCLE films were the protective barriers to the permeability of water vapor. The incorporation of RCLE increased the surface hydrophobicity and caused the composite film microstructure to become uniform and more compact. Overall, the Sumac extract at the specific concentration of 3% can be used to improve the Cerish fructans film properties and extend the product's shelf life in active food packaging.
Risk aversion and COVID‐19 vaccine hesitancy
Authors: Lepinteur Anthony , Borga Liyousew G. , Clark Andrew E. , Vögele Claus , D’Ambrosio Conchita
Published: May 2023

We here investigate the role of risk aversion in COVID‐19 vaccine hesitancy. The theoretical effect is ambiguous, as both COVID‐19 infection and vaccination side‐effects involve probabilistic elements. In large‐scale data covering five European countries, we find that vaccine hesitancy falls with risk aversion, so that COVID‐19 infection is perceived as involving greater risk than is vaccination.
Burnout and associated factors among healthcare workers in acute care settings at a tertiary teaching hospital in Tanzania: An analytical cross‐sectional study
Authors: Lwiza Alex F. , Lugazia Edwin R.
Published: May 2023

Background and Aims

Healthcare worker burnout has been linked to increased patient safety risk, low work professionalism, and low satisfaction with the care encounter. This study aimed to find the prevalence and factors associated with burnout among healthcare workers in acute care settings at a national referral hospital in Tanzania.

Methods

An analytical cross‐sectional study was performed at a national referral hospital in Tanzania. Healthcare workers at the departments of Emergency Medicine, Intensive Care Unit, and Anesthesia at Muhimbili National Hospital were recruited from January 2021 to March 2021. A two‐part questionnaire adopted from the Maslach Burnout Inventory (MBI) and MBI‐Human Services Survey tool were administered to measure burnout. Categorical variables were summarized using frequencies and percentages, and variables were compared using logistic regression.

Results

A total of 174 healthcare workers were issued questionnaires to participate in the study. With a response rate of 78%, 135 healthcare workers were included in the study, 43.7% were from the intensive care unit; the majority were female (63.7%), and assistant nursing officers (42%). The prevalence of burnout among participants was 62%, with 90.4% of participants showing a high level of emotional exhaustion. A longer duration of a single‐day shift was associated with increased burnout among work‐related factors (p < 0.001). Fewer night‐time sleeping hours, tobacco use, and lack of regular exercise were significantly associated with increased burnout among social‐related factors (p < 0.001).

Conclusion

The study showed an alarmingly high prevalence of burnout among healthcare workers in the acute care setting of Muhimbili National Hospital. Personal well‐being and participation in wellness programs have been associated with a reduced prevalence of burnout. The hospital should address the issue of burnout among its healthcare workers. This also calls for immediate action, necessitating further studies at the regional and national levels to ascertain the burden and causes of burnout in this setting.
Fibulin‐2: A potential regulator of immune dysfunction after bone trauma
Authors: Li Shidan , Jiang Hao , Wang Shaochuan , Li Youbin , Guo Debin , Zhan Jijie , Li Qiaohui , Meng Hao , Chen Ankang , Chen Limin , Dai Xiaoyan , Li Xiaoming , Xing Wei , Li Lei , Fei Jun
Published: May 2023

Objectives

To reveal the relationship between the fibulin‐2 protein and immune dysfunction after bone trauma.

Methods

Individuals who were admitted to the study were divided into a bone trauma group, a recovered from bone trauma group and a volunteer without bone trauma group based on the reason for admission. Fibulin‐2 levels in the three groups were compared. Fibulin‐2‐knockout (fibulin‐2−/−) mice and wild‐type (WT) mice were used to detect susceptibility to infection. Hematoxylin and eosin (HE) staining and immunohistochemical staining were employed to observe pathological changes in each organ from fibulin‐2−/− mice and WT mice.

Results

In total, 132 patients were enrolled in this study. The fibulin‐2 level in the bone trauma group was lower than that in the recovered bone trauma group (3.39 ± 1.41 vs. 4.30 ± 1.38 ng/mL, t = 2.948, p < .05) and also lower than that in the volunteers without bone trauma group (3.39 ± 1.41 vs. 4.73 ± 1.67 ng/mL, t = 4.135, p < .05). Fibulin‐2−/− mice are more prone to infection. Compared with those in WT mice, spleen function and thymus function in fibulin‐2−/− mice were impaired. Immunohistochemical staining revealed that compared with those in WT mice, significantly fewer CD4+ T cells, CD8+ T cells, and CD19+ B cells were noted in the spleen and thymus of fibulin‐2−/− mice.

Conclusions

The plasma fibulin‐2 level was lower in patients with bone trauma. Decreased fibulin‐2 is associated with immune dysfunction after bone trauma.
Brain‐Tumor Interface‐Based MRI Radiomics Models to Determine EGFR Mutation, Response to EGFR‐TKI and T790M Resistance Mutation in Non‐Small Cell Lung Carcinoma Brain Metastasis
Authors: Fan Ying , Wang Xinti , Yang Chunna , Chen Huanhuan , Wang Huan , Wang Xiaoyu , Hou Shaoping , Wang Lihua , Luo Yahong , Sha Xianzheng , Yang Huazhe , Yu Tao , Jiang Xiran
Published: May 2023

Background

Preoperative assessment of epidermal growth factor receptor (EGFR) status, response to EGFR‐tyrosine kinase inhibitors (TKI) and development of T790M mutation in non‐small cell lung carcinoma (NSCLC) patients with brain metastases (BM) is important for clinical decision‐making, while previous studies were only based on the whole BM.

Purpose

To investigate values of brain‐to‐tumor interface (BTI) for determining the EGFR mutation, response to EGFR‐TKI and T790M mutation.

Study Type

Retrospective.

Population

Two hundred thirty patients from Hospital 1 (primary cohort) and 80 patients from Hospital 2 (external validation cohort) with BM and histological diagnosis of primary NSCLC, and with known EGFR status (biopsy) and T790M mutation status (gene sequencing).

Field Strength/Sequence

Contrast‐enhanced T1‐weighted (T1CE) and T2‐weighted (T2W) fast spin echo sequences at 3.0T MRI.

Assessment

Treatment response to EGFR‐TKI therapy was determined by the Response Evaluation Criteria in Solid Tumors. Radiomics features were extracted from the 4 mm thickness BTI and selected by least shrinkage and selection operator regression. The selected BTI features and volume of peritumoral edema (VPE) were combined to construct models using logistic regression.

Statistical Tests

The performance of each radiomics model was evaluated using the area under the receiver operating characteristic (ROC) curve (AUC).

Results

A total of 7, 3, and 3 features were strongly associated with the EGFR mutation status, response to EGFR‐TKI and T790M mutation status, respectively. The developed models combining BTI features and VPE can improve the performance than those based on BTI features alone, generating AUCs of 0.814, 0.730, and 0.774 for determining the EGFR mutation, response to EGFR‐TKI and T790M mutation, respectively, in the external validation cohort.

Data Conclusion

BTI features and VPE were associated with the EGFR mutation status, response to EGFR‐TKI and T790M mutation status in NSCLC patients with BM.

Evidence Level: 3

Technical Efficacy: Stage 2