bluuebunny/crossref_metadata_2025 huggingface dataset:
Unveiling Crucial Chemical Processing Parameters Influencing the Performance of Solution‐Processed Inorganic Thermoelectric Materials
Authors: Fiedler Christine , Calcabrini Mariano , Liu Yu , Ibáñez Maria
Published: April 2024

Production of thermoelectric materials from solution‐processed particles involves the synthesis of particles, their purification and densification into pelletized material. Chemical changes that occur during each one of these steps render them performance determining. Particularly the purification steps, bypassed in conventional solid‐state synthesis, are the cause for large discrepancies among similar solution‐processed materials. In present work, the investigation focuses on a water‐based surfactant free solution synthesis of SnSe, a highly relevant thermoelectric material. We show and rationalize that the number of leaching steps, purification solvent, annealing, and annealing atmosphere have significant influence on the Sn : Se ratio and impurity content in the powder. Such compositional changes that are undetectable by conventional characterization techniques lead to distinct consolidated materials with different types and concentration of defects. Additionally, the profound effect on their transport properties is demonstrated. We emphasize that understanding the chemistry and identifying key chemical species and their role throughout the process is paramount for optimizing material performance. Furthermore, we aim to demonstrate the necessity of comprehensive reporting of these steps as a standard practice to ensure material reproducibility.
Mitigating Sodium Ordering for Enhanced Solid Solution Behavior in Layered NaNiO2 Cathodes
Authors: Sada Krishnakanth , Kmiec Steven , Manthiram Arumugam
Published: April 2024

The O‐type layered nickel oxides suffer from undesired cooperative Jahn–Teller distortion stemming from Ni3+ ions and undergo multiple biphasic structural transformations during the insertion/extraction of large Na+ ions, posing a significant challenge to stabilize the structural integrity. We present here a systematic investigation of the impact of substituting 5 % divalent (Mg2+) or trivalent (Al3+ or Co3+) ions for Ni3+ to alleviate Na+ion ordering and perturb the Jahn–Teller effect to enhance structural stability. We gauge a fundamental understanding of the Mg−O and Na−O or Mg−O−Na bonding interactions, noting that the ionicity of the Mg−O bond deshields the electronic cloud of oxygen from Na+ ions. Furthermore, calculations of the Van Vleck distortion modes reveal a relaxation of NiO6 octahedra from Jahn–Teller distortion and a reduced electron density at the interlayer with Mg2+ substitution. Long‐range (operando

X‐ray diffraction) and short‐range (magic angle spinning nuclear magnetic resonance) structural analyses provide insights into reduced ordering, allowing a stable continuous solid solution. Overall, Mg‐substitution results in a high‐capacity retention of ~96 % even after 100 cycles, showcasing the potential of this strategy for overcoming the structural instabilities and enhancing the performance of sodium‐ion batteries.
Molecular Engineering for Modulating Photocatalytic Hydrogen Evolution of Fully Conjugated 3D Covalent Organic Frameworks
Authors: Wang Yaqin , Qiao Zelong , Li Han , Zhang Rui , Xiang Zhonghua , Cao Dapeng , Wang Shitao
Published: April 2024

Covalent organic frameworks (COFs) have recently shown great potential for photocatalytic hydrogen production. Currently almost all reports are focused on two‐dimensional (2D) COFs, while the 3D counterparts are rarely explored due to their non‐conjugated frameworks derived from the sp3 carbon based tetrahedral building blocks. Here, we rationally designed and synthesized a series of fully conjugated 3D COFs by using the saddle‐shaped cyclooctatetrathiophene derivative as the building block. Through molecular engineering strategies, we thoroughly discussed the influences of key factors including the donor‐acceptor structure, hydrophilicity, specific surface areas, as well as the conjugated/non‐conjugated structures on their photocatalytic hydrogen evolution properties. The as‐synthesized fully conjugated 3D COFs could generate the hydrogen up to 40.36 mmol h−1 g−1. This is the first report on intrinsic metal‐free 3D COFs in photocatalytic hydrogen evolution application. Our work provides insight on the structure design of 3D COFs for highly‐efficient photocatalysis, and also reveals that the semiconducting fully conjugated 3D COFs could be a useful platform in clear energy‐related fields.
Expedient Access to 18F‐Fluoroheteroarenes via Deaminative Radiofluorination of Aniline‐Derived Pyridinium Salts
Authors: Ford Joseph , Ortalli Sebastiano , Chen Zijun , Sap Jeroen B. I. , Tredwell Matthew , Gouverneur Véronique
Published: April 2024

Herein, we disclose that pyridinium salts derived from abundant (hetero)anilines represent a novel precursor class for nucleophilic aromatic substitution reactions with [18F]fluoride. The value of this new 18F‐fluorodeamination is demonstrated with the synthesis of over 30 structurally diverse and complex heteroaryl 18F‐fluorides, several derived from scaffolds that were yet to be labelled with fluorine‐18. The protocol tolerates heteroarenes and functionalities commonly found in drug discovery libraries, and is amenable to scale‐up and automation on a commercial radiosynthesiser.
Enhancing the UV resistance and flame retardancy of epoxy resin composites with fluorescent carbon dots
Authors: Wang Lingzhi , Liu Hua , Wang Haojie , Zeng Birong , Liu Xiaohui , Xu Yiting , Luo Weiang , Chen Guorong , Yuan Conghui , Dai Lizong
Published: April 2024

Carbon dots (CDs) are a novel class of carbon material which have gained widespread usages owing to their exceptional optical properties, low toxicity, and high biocompatibility. The nitrogen‐doped carbon dots (N‐CDs) using a normal curing agent of 4,4′‐diaminodiphenylmethane as resource was expected to not only have good compatibility with epoxy resin (EP), but also bring luminescent property to EP composites. It was interesting that the N‐CDs‐EP composites with 12.5 wt% addition exhibited a limiting oxygen index value of 31.4% and reached UL‐94 V‐1 grade, indicating a good flame retardancy. Compared with pure EP, the incorporation of N‐CDs formed more residual char and had extra smoke suppression effect. Besides, the N‐CDs‐EP composites exhibited a low transmittance less than 10% for the light wavelength below 490 nm. The N‐CDs contributed to the light shielding capabilities of the N‐CDs‐EP composites, which could effectively shield purple, blue, and cyan light. Furthermore, the mechanical properties including bending strength and impact strength, the dielectric property, and hydrophobicity of N‐CDs‐EP composites were also improved. The simple but effective modification strategy might be expected to be applied in many polymer systems.
Research on multiwalled carbon nanotubes spray method for preparing flexible piezoresistive tactile sensor
Authors: He Xu , Xie Jiaqing , Pang Haoran , Sun Ruqian , Zhou Tianfeng , Fan Haiyan , Meng Xiaoyu , Nan Xiaohui , Zhou Zhikang
Published: April 2024

Flexible piezoresistive tactile sensor (FPTS) is widely used in wearable devices, e‐skin, and so on. However, the performance consistency and durability hinder its widespread application at a larger scale. It is still a challenge to prepare conductive composites with high performance consistency and high durability. In this research, a multiwalled carbon nanotubes (MWCNTs)/polydimethylsiloxane FPTS with high performance consistency and high durability was prepared by a combination of spray and spin coating method. The spray parameters of MWCNTs solution were optimized by numerical simulation, and a self‐developed high pressure spray device was adopted to realize the high‐pressure spray. In the 6000 tensile cycles experiments, the fluctuation of FPTS resistance is less than 5%. The range of prepared FPTS can reach 1.2 kPa, and the sensitivity is 0.8 kPa−1. The results of mouse click and wrist bending tests confirmed that the prepared FPTS can satisfy the detection requirements of wearable devices.
miR‐429 inhibits palmitic acid‐induced apoptosis of porcine subcutaneous preadipocytes by targeting Sox5
Authors: Hua Yonglin , Cao Haigang , Peng Ying , Liu Jie , Li Xiao , Jin Jianjun , Shi Xine
Published: April 2024

MicroRNAs (miRNAs) can regulate several physiological processes of cells after transcription, such as cell proliferation, differentiation, and apoptosis. In this study, we found that 500 μM of palmitic acid (PA) could significantly induce the apoptosis of porcine subcutaneous preadipocytes (p < 0.05). The overexpression of miR‐429 decreased the apoptotic rate of porcine preadipocytes and inhibited the expression of the proapoptotic gene P53 (p < 0.05). In addition, miR‐429 can specifically bind to the 3′ untranslated region of Sox5, and the upregulation of miR‐429 downregulated Sox5 expression. However, Sox5 overexpression promoted the apoptosis of porcine preadipocytes (p < 0.01); the co‐transfection of miR‐429 and pcDNA3.1‐Sox5 into preadipocytes could reverse the inhibition of PA‐induced apoptosis by miR‐429. In conclusion, the present results provide a theoretical basis for elucidating the molecular mechanisms by which miR‐429 and Sox5 regulate the apoptosis of porcine subcutaneous preadipocytes.
The prenatal use of agmatine prevents social behavior deficits in VPA‐exposed mice by activating the ERK/CREB/BDNF signaling pathway
Authors: Chen Shihao , Xu Qi , Zhao Linqian , Zhang Mulan , Xu Huiqin
Published: April 2024

Background

According to reports, prenatal exposure to valproic acid can induce autism spectrum disorder (ASD)‐like symptoms in both humans and rodents. However, the exact cause and therapeutic method of ASD is not fully understood. Agmatine (AGM) is known for its neuroprotective effects, and this study aims to explore whether giving agmatine hydrochloride before birth can prevent autism‐like behaviors in mouse offspring exposed prenatally to valproic acid.

Methods

In this study, we investigated the effects of AGM prenatally on valproate (VPA)‐exposed mice. We established a mouse model of ASD by prenatally administering VPA. From birth to weaning, we evaluated mouse behavior using the marble burying test, open‐field test, and three‐chamber social interaction test on male offspring.

Results

The results showed prenatal use of AGM relieved anxiety and hyperactivity behaviors as well as ameliorated sociability of VPA‐exposed mice in the marble burying test, open‐field test, and three‐chamber social interaction test, and this protective effect might be attributed to the activation of the ERK/CREB/BDNF signaling pathway.

Conclusion

Therefore, AGM can effectively reduce the likelihood of offspring developing autism to a certain extent when exposed to VPA during pregnancy, serving as a potential therapeutic drug.
Depolymerization of the polyester–polyurethane by amidase GatA250 and enhancing the production of 4,4′‐methylenedianiline with cutinase LCC
Authors: Xin Kaiyuan , Lu Jianqi , Zeng Qingyi , Zhang Tianyang , Liu Jiawei , Zhou Jie , Dong Weiliang , Jiang Min
Published: April 2024

Polyurethane (PU) is a complex polymer synthesized from polyols and isocyanates. It contains urethane bonds that resist hydrolysis, which decreases the efficiency of biodegradation. In this study, we first expressed the amidase GatA250, and then, assessed the enzymatic characterization of GatA250 and its efficiency in degrading the polyester‐PU. GatA250 degraded self‐synthesized thermoplastic PU film and postconsumption foam with degradation efficiency of 8.17% and 4.29%, respectively. During the degradation, the film released 14.8 µm 4,4′‐methylenedianiline (MDA), but 1,4‐butanediol (BDO) and adipic acid (AA) were not released. Our findings indicated that GatA250 only cleaved urethane bonds in PU, and the degradation efficiency was extremely low. Hence, we introduced the cutinase LCC, which possesses hydrolytic activity on the ester bonds in PU, and then used both enzymes simultaneously to degrade the polyester‐PU. The combined system (LCC‐GatA250) had higher degradation efficiency for the degradation of PU film (42.2%) and foam (13.94%). The combined system also showed a 1.80 time increase in the production of the monomer MDA, and a 1.23 and 3.62 times increase in the production of AA and BDO, respectively, compared to their production recorded after treatment with only GatA250 or LCC. This study provides valuable insights into PU pollution control and also proposes applicable solutions to manage PU wastes through bio‐recycling.
Consumption of centipedes promotes growth and gut microbiome homeostasis in a lizard
Authors: Xie Hongxin , Yang Jing , Tang Guoshuai , Zeng Yao , Luo Shuyi , Sun Baojun , Nie Yonggang , Du Zhenyu , Du Wei‐Guo
Published: April 2024

Animals are known for their self‐medicating behavior, and food composition also contributes to animal fitness. In this study, we investigated the dietary habits of endangered Chinese crocodile lizards and found that, compared to adult lizards, juvenile lizards consumed more centipedes, a trend validated through controlled feeding experiments. Juvenile lizards fed with centipedes demonstrated faster growth rates and better body conditions than those fed an earthworm‐only diet, despite no increase in food intake. The centipede‐added group showed lower species richness in the gut microbiome and had more abundant fermentative bacteria, such as Bacteroides, Paraclostridium, and Enterococcus, whereas the earthworm‐only group had more abundant non‐fermentative opportunistic pathogens. Higher concentrations of short‐chain fatty acids, which are mainly derived from bacterial fermentation in the gut, were found in the feces of the centipede‐added group. Therefore, consumption of centipedes promoted the growth and gut microbiota homeostasis of juvenile lizards. This study emphasizes the significance of preserving food diversity in natural environments and increasing dietary diversity in captive populations.
Beyond sleepless nights: Unraveling the complexity of alexithymia and suicide risk among university students
Authors: Daghigh Ahmad
Published: April 2024

Background

There is a solid relationship between alexithymia and suicide risk. Nonetheless, the specific impact of alexithymia's distinct subscales on suicide risk has received the attention it deserves. This article presents a comprehensive exploration of suicide risk among university students, focusing on the interconnections among alexithymia, insomnia, and suicidal behavior. Three components of alexithymia including difficulties in describing emotions or feelings (DDF), difficulties in identifying emotions or feelings (DIF), and the externally oriented thinking were considered.

Methods

The study involved 208 participants from a Persian university sample, examining the significance of incorporating both alexithymia and insomnia in suicide risk assessment and intervention planning. Insomnia was positioned as a pivotal mediator. A secure electronic link in the Telegram application was employed to collect the data. Both linear and nonlinear prediction models were used to explore potential associations among alexithymia, insomnia, and suicide risk.

Results

The study revealed substantial positive correlations between alexithymia and suicide risk, as well as between insomnia and suicide risk. Additionally, specific components of alexithymia exhibited noteworthy links to suicide risk. The inclusion of insomnia scores in suicide risk predictions is critical, as it greatly enhances the precision of risk assessments and facilitates the design of targeted and effective therapeutic interventions. The association between alexithymia and suicide risk showed a significant relationship (r = .29, p < .01). Moreover, a significant correlation was observed between alexithymia and insomnia (r = .32, p < .01). Additionally, insomnia exhibited a significant positive correlation with suicide (r = .35, p < .01). Interestingly, DDF and DIF showed positive correlations with suicide (r = .28, p < .01; r = .33, p < .01).

Conclusion

The findings carry profound implications for suicide prevention efforts, providing valuable insights to safeguard the well‐being and resilience of university students facing suicide risk challenges.
COVID‐19 and cognitive impairment: From evidence to SARS‐CoV‐2 mechanism
Authors: Pan Haodong , Niu Jingyan , Feng Lin , Yin Yue , Dang Chun , Lu Yaoheng , Li Lei , Ji Jianguang , Yang Kuikun , Wang Lihua , Li Qian
Published: April 2024

Caused by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), coronavirus disease 2019 (COVID‐19) primarily manifests as respiratory dysfunction. However, emerging evidence suggests SARS‐CoV‐2 can invade the brain, leading to cognitive impairment (CI). It may spread to other brain regions through transsynaptic neurons, including the olfactory, optic, and vagus nerves. Moreover, it may invade the central nervous system through blood transmission or the lymphatic system. This review summarizes the neuroimaging evidence from clinical and imaging studies of COVID‐19‐associated CIs, including magnetic resonance imaging and 18F‐fluorodeoxyglucose positron emission tomography‐computed tomography. The mechanisms underlying COVID‐19‐associated CIs are currently being actively investigated. They include nonimmune effects, such as viral proteins, tissue hypoxia, hypercoagulability, and pathological changes in neuronal cells, and immune effects, such as microglia and astrocyte activation, peripheral immune cell infiltration, blood‐brain barrier impairment, cytokine network dysregulation, and intestinal microbiota. Inflammation is the central feature. Both central and systemic inflammation may cause acute and persistent neurological changes, and existing evidence indicates that inflammation underlies the elevated risk of Alzheimer's disease. Finally, potential therapeutic options for COVID‐19‐associated CIs are discussed. In‐depth research into the pathological mechanisms is still needed to help develop new therapies.
Real‐world treatment patterns and clinical outcomes in patients with stage III NSCLC in Korea: The KINDLE study
Authors: Lee Jiyun , Ahn Hee Kyung , Kim Sang‐We , Han Ji‐Youn , Lee Sung Sook , Park Hyung Soon , Lee Hyun Woo , Kim Joo‐Hang , Cho Eunhan , Huggenberger Reto , Cho Byoung Chul
Published: April 2024

Objective

KINDLE‐Korea is part of a real‐world KINDLE study that aimed to characterize the treatment patterns and clinical outcomes of patients with stage III non‐small cell lung cancer (NSCLC).

Materials and Methods

The KINDLE was an international real‐world study that explores patient and disease characteristics, treatment patterns, and survival outcomes. The KINDLE‐Korea included stage III NSCLC patients diagnosed between January 2013 and December 2017.

Results

A total of 461 patients were enrolled. The median age was 66 years (range: 24–87). Most patients were men (75.7%) with a history of smoking (74.0%), stage IIIA NSCLC (69.2%), and unresectable disease (52.9%). A total of 24.3% had activating EGFR mutation and 62.2% were positive for PDL1 expression. Broadly categorized, 44.6% of the patients received chemoradiation (CRT)‐based therapy, 35.1% underwent surgery, and 20.3% received palliative therapies as initial treatment. The most commonly adopted approaches for patients with stage IIIA and IIIB disease were surgery and CRT, respectively. The median PFS was 15.2 months and OS was 66.7 months. Age >65 years, adenocarcinoma histology, and surgery as the initial treatment were significantly associated with longer OS.

Conclusion

This study revealed the heterogeneity of treatment patterns and survival outcomes in patients with stage III NSCLC before durvalumab consolidation came into clinical practice. There is an unmet need for patients who are not eligible for surgery as an initial therapy. Novel therapeutic approaches are highly warranted to improve clinical outcomes.
Did court dismiss coach's Title VII claim?
Authors: Lyerly Eric
Published: April 2024

In her first year as head coach of the University of Montana‐Missoula women's basketball, the coach went 7‐23 overall and 4‐14 in the Big Sky Conference. During this year, a starting player left the team. That student‐athlete's parents filed a complaint against the coach with the athletics director, alleging she caused emotional and psychological damage to their daughter through bullying.
Gold Nanoparticle Delivery of Glut1 SiRNA Facilitates Glucose Starvation Therapy in Lung Cancer
Authors: Li Jiaqi , Yu Jingyuan , Fang Qi , Du Yan , Zhang Xiaojun
Published: April 2024

Glucose transporter protein‐1 (Glut1), is highly expressed in many cancer types and plays a crucial role in cancer progression through enhanced glucose transport. Its overexpression is associated with aggressive tumor behavior and poor prognosis. Herein, the nucleic acids modified gold nanoparticles (AuNPs) was synthesized to deliver small interfering RNA (siRNA) against Glut1 by microRNA 21 (miR‐21) triggers toehold‐mediated strand displacement reaction for lung cancer starvation therapy. Overexpression of miR‐21 triggers toehold‐mediated strand displacement, releasing the siRNA to knockdown of Glut1 in cancer cell instead of normal cell. Furthermore, the glucose oxidase‐like activity of the AuNPs accelerates intracellular glucose consumption, promoting cancer cell starvation. The engineered AuNPs@anti‐miR‐21/siGlut1 complex inhibits cancer cell proliferation, xenograft tumor growth and promotes apoptosis through glucose starvation and ROS cascade signaling, underscoring its potential as an effective therapeutic strategy for lung cancer.
B(C6F5)3/CPA‐Catalyzed Aza‐Diels‐Alder Reaction of 3,3‐Difluoro‐2‐Aryl‐3H‐indoles and Unactivated Dienes
Authors: Wei Xing‐Pin , Wang Xin‐Chun , Ma Tao , Qiao Xiu‐Xiu , Li Ganpeng , He Yonghui , Zhao Xiao‐Jing
Published: April 2024

Here we report B(C6F5)3/CPA‐catalyzed enantioselective aza‐Diels–Alder reaction of 3,3‐difluoro‐2‐Aryl‐3H‐indoles with unactivated dienes to access chiral 10,10‐difluoro‐tetrahydropyrido[1,2‐a]indoles. This protocol allows the formation of pyrazole‐based C2‐quaternary indolin‐3‐ones with high enantioselectivities and regioselectivities. Moreover, gram‐scale synthesis of the 10,10‐difluoro‐tetrahydropyrido[1,2‐a]indole skeleton was successfully achieved without any reduction in both yield and enantioselectivity.
Tetraanionic Oligo‐Dioxaborines: Strongly Absorbing Near‐Infrared Dyes
Authors: Polishchuk Vladyslav , Kulinich Andrii , Shandura Mykola
Published: April 2024

Polymethine dyes of tetraanionic nature comprising 1,3,2‐dioxaborine rings in the polymethine chain and end‐groups of different electron‐accepting abilities have been synthesized. They can be considered as oligomeric polymethines, where a linear conjugated π‐system passes through three 1,3,2‐dioxaborine units and a number of tri‐ and dimethine π‐bridges between two end‐groups. The obtained dyes exhibit near‐infrared absorption and fluorescence, with molar absorption coefficients reaching as high as 564000 M−1 cm−1 in DMF, rendering them among the strongest absorbers known. The novel compounds are bright NIR fluorophores, with fluorescence quantum yields up to 0.13 in DMF. A comparative analysis of the electronic structure of the obtained dyes with respective dianionic and trianionic oligomers was conducted through quantum chemical calculations.
Investigating the CO2 injection and the performance of nanoparticles in preventing formation damage at different pressures and concentrations
Authors: Talebi Alireza , Shafiei Masoud , Escrochi Mehdi , Kazemzadeh Yousef , Riazi Masoud
Published: April 2024

Asphaltene deposition is one of the main challenges during CO2 injection (miscible or immiscible) into reservoirs. Asphaltene deposition reduces the porosity and permeability of reservoir rock and changes its wettability to strongly oil‐wet. In this article, to control the asphaltene deposition during CO2 injection the use of direct asphaltene inhibitors (Al2O3 and Fe3O4) in reservoir conditions. In this research, nanoparticle screening (to investigate its significance in reducing asphaltene precipitation) has been done and it can be stated that Al2O3 nanoparticle will perform better effectivity than Fe3O4 nanoparticle. After that, by using effective nanoparticles (Al2O3) in different concentrations (1000 and 2000 ppm), the amount of asphaltene deposition during CO2 injection has been investigated. The obtained results show that increasing the injection pressure (from immiscible to miscible) causes an increase in asphaltene deposition and the use of nanoparticles will reduce the amount of asphaltene deposition.
Anti‐Cancer Activity of Ethanolic Extract from ‘Bao’ Mango (Mangifera indica) Peel and Its Nanoencapsulation Against Triple‐Negative Breast Cancer Cell Lines
Authors: Kumkoon Tipaporn , Chunhavacharatorn Phatchada , Manohong Preeyanuch , Nirmal Nilesh , Benjakul Soottawat , Katewongsa Kanlaya
Published: April 2024

Mango (Mangifera indica) has been one of the most cultivated fruits in Thailand and other South and Southeast Asian countries. ‘Bao’ mango is a distinct petite mango variety that is available all year round. This study aimed to investigate the antioxidant and anti‐breast cancer activities of Bao‐mango peel extract (MPE). The total phenolic content (TPC) of MPE was 280.57 ± 7.95 μg quercetin per g of powder. Based on antioxidant activity analyses, MPE had IC50values of 35.09 and 23.80 ± 0.48 μg/mL for 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) and 2,2′‐azino‐bis‐3‐ethylbenzthiazoline‐6‐sulphonic acid (ABTS) radical scavenging activities, respectively. Additionally, MPE exerted an inhibitory action against MDA‐MB‐231 breast cancer cells with an IC50of 39.08 ± 5.22 μg/mL. Furthermore, nanoencapsules loaded with MPE using chitosan‐coated poly lactic‐co‐glycolic acid (CS‐PLGA‐(MPE)) were also prepared. It exhibited spherical morphology with an average size of 251.90 ± 19.61 nm. Encapsulation efficiency (EE) of nanoparticles was 30.48 %. Moreover, the CS‐PLGA‐(MPE) exhibited higher anticancer activity by affecting cell viability and inhibiting the cell migration and invasion of MDA‐MB‐231 breast cancer cells, compared to the free MPE. Therefore, these findings indicated that MPE and CS‐PLGA‐(MPE) nanoparticles could be promising alternatives to chemicals used for breast cancer treatment.
h5bench: A unified benchmark suite for evaluating HDF5 I/O performance on pre‐exascale platforms
Authors: Bez Jean Luca , Tang Houjun , Breitenfeld Scot , Zheng Huihuo , Liao Wei‐Keng , Hou Kaiyuan , Huang Zanhua , Byna Suren
Published: April 2024

Parallel I/O is a critical technique for moving data between compute and storage subsystems of supercomputers. With massive amounts of data produced or consumed by compute nodes, high‐performant parallel I/O is essential. I/O benchmarks play an important role in this process; however, there is a scarcity of I/O benchmarks representative of current workloads on HPC systems. Toward creating representative I/O kernels from real‐world applications, we have created h5bench , a set of I/O kernels that exercise hierarchical data format version 5 (HDF5) I/O on parallel file systems in numerous dimensions. Our focus on HDF5 is due to the parallel I/O library's heavy usage in various scientific applications running on supercomputing systems. The various tests benchmarked in the h5bench suite include I/O operations (read and write), data locality (arrays of basic data types and arrays of structures), array dimensionality (one‐dimensional arrays, two‐dimensional meshes, three‐dimensional cubes), I/O modes (synchronous and asynchronous). In this paper, we present the observed performance of h5bench executed along several of these dimensions on existing supercomputers (Cori and Summit) and pre‐exascale platforms (Perlmutter, Theta, and Polaris). h5bench measurements can be used to identify performance bottlenecks and their root causes and evaluate I/O optimizations. As the I/O patterns of h5bench are diverse and capture the I/O behaviors of various HPC applications, this study will be helpful to the broader supercomputing and I/O community.
Photo‐switchable Collectors for the Flotation of Lithium Aluminate for the Recycling of the Critical Raw Material Lithium
Authors: Zgheib Ali , Fischer Maximilian H. , Namyslo Jan C. , Fittschen Ursula E. A. , Wollmann Annett , Weber Alfred P. , Schmidt Andreas
Published: April 2024

Flotation of the mineral lithium aluminate by application of the natural product punicine from Punica granatum and some derivatives as collectors is examined. Punicines, 1‐(2',5'‐dihydroxyphenyl)‐pyridinium compounds, are switchable molecules whose properties can be changed reversibly. They exist as cations, neutral mesomeric betaines, anions, and dianions depending on the pH. In light, they form radicals. Five punicine derivatives were prepared which possess β‐methyl, β‐chlorine, γ‐tert.‐butyl, and γ‐acetyl groups attached to the pyridinium ring, and a pyrogallol derivative. On the other hand, LiAlO2 reacts with water to give species such as LiAl2(OH)7 on its surface. Flotations were performed applying the punicines in daylight (3000 lux), in darkness (<40 lux) and under UV‐irradiation (4500 lux, 390–400 nm). The pH of the suspension, the collector's concentration, the conditioning time as well as the flotation time were varied. The recovery rates strongly depend on these parameters. For example, the recovery rate of lithium aluminate was increased by 116 % on changing the lighting condition from daylight to darkness, when the pyrogallol derivative of punicine was applied. UV, FTIR, TGA and zeta potential measurements as well as DFT calculations were performed in order to gain insight into the chemistry of punicines on the surface of LiAlO2 and LiAl2(OH)7 in water which influence the flotation's results.
Modification of Visible‐Light‐Responsive Pb2Ti2O5.4F1.2 with Metal Oxide Cocatalysts to Improve Photocatalytic O2 Evolution toward Z‐Scheme Overall Water Splitting
Authors: Tamura Yoshitaka , Okazaki Megumi , Ueki Hiroto , Aihara Kenta , Kanazawa Tomoki , Fan Dongxiao , Haruki Rie , Iwase Akihide , Nozawa Shunsuke , Ishiwari Fumitaka , Sugimoto Kunihisa , Saeki Akinori , Maeda Kazuhiko
Published: April 2024

The development of a highly active photocatalyst for visible‐light water splitting requires a high‐quality semiconductor material and a cocatalyst, which promote both the migration of photogenerated charge carriers and surface redox reactions. In this work, a cocatalyst was loaded onto an oxyfluoride photocatalyst, Pb2Ti2O5.4F1.2, to improve the water oxidation activity. Among the metal oxides examined as cocatalysts, RuO2 was found to be the most suitable, and the O2 evolution activity depended on the preparation conditions for Ru/Pb2Ti2O5.4F1.2. The highest activity was obtained with RuCl3‐impregnated Pb2Ti2O5.4F1.2 heated under a flow of H2 at 523 K. The H2‐treated Ru/Pb2Ti2O5.4F1.2 showed an O2 evolution rate an order of magnitude higher than those for the analogues without the H2 treatment (e. g., RuO2/Pb2Ti2O5.4F1.2). Physicochemical analyses by X‐ray absorption fine‐structure spectroscopy, X‐ray photoelectron spectroscopy, scanning electron microscopy, and time‐resolved microwave conductivity measurements indicated that the optimized photocatalyst contained partially reduced RuO2 species with a particle size of ~5 nm. These partially reduced species effectively trapped the photogenerated charge carriers and promoted the oxidation of water into O2. The optimized Ru/Pb2Ti2O5.4F1.2 could function as an O2‐evolving photocatalyst in Z‐scheme overall water splitting, in combination with an Ru‐loaded, Rh‐doped SrTiO3 photocatalyst.
Continuous and Scalable Synthesis of Prussian Blue Analogues with Tunable Structure and Composition in Surfactant‐Free Microreactor for Stable Zinc‐Ion Storage
Authors: Wang Mingli , Ma Jingkang , Lu Ke , Lu Songtao , Zhang Hong
Published: April 2024

We represent a segmented flow surfactant‐free microfluidic strategy for continuous synthesis of Prussian blue analogues (PBAs) with high dispersity and high crystallization. Representative zinc hexacyanoferrate (ZnHCF) nanocubes were successfully synthesized in a microfluidic reactor within a few minutes via the cooperation method and possessed lower contents of crystal water and Fe(CN)63− vacancies than that of synthesis in bulk solution. The nucleation and particle growth process can be precisely controlled by the exploration of different flow rates and reaction temperatures during the formation of ZnHCF nanocubes in segmented flow microfluidic reactors. High crystallinity, low crystal water and vacancies in the ZnHCF structure were presented at relatively high temperatures for the crystal growth process. High‐quality ZnHCF with a low content of crystal water showed excellent electrochemical activity and stability towards zinc‐ion storage. The continuous and scalable synthesis approach can be extended to the fabrication of other PBAs such as NiHCF, CoHCF, MnHCF, and CuHCF with high dispersity without using any surfactants. The controllable construction of PBAs with tunable properties in microfluidic reactors provides a promising direction to minimize the gap between commercial reality and laboratory research.
An integrated common ground‐based grid‐connected current‐fed switched inverter
Authors: Ravitheja Rage , Sahoo Manoranjan , Thirumala Karthik
Published: April 2024

A current‐fed switched inverter and its derivatives are gaining more attention in solar PV grid‐connected applications. In these inverters, the absence of galvanic isolation generates the leakage current, leading to the injection of harmonics and the degradation of solar PV panel life span. This paper proposes an integrated common ground‐based grid‐connected current‐fed switched inverter. The common ground between the input DC source and output AC grid eliminates the leakage current and makes the inverter immune to high‐frequency common‐mode voltage variations. It utilizes the shoot‐through state to boost the input DC voltage and obtain the rated AC output voltage. Moreover, as compared to the contemporary common ground‐based inverter topologies, the number of passive reactive elements and active switches is less. Thereby, the size, cost of the system, and associated power loss are reduced. The proposed inverter's continuous input current and buck–boost nature make it suitable for applications like solar PV systems. The steady‐state analysis of the proposed inverter is validated using the MATLAB Simulink tool, and furthermore, the simulation results during grid‐tied mode have been cross‐verified with the help of real‐time simulator OPAL‐RT. Further, the power loss and thermal loss analysis are carried out using the PLECS software. Finally, the performance of the inverter and simulation results are verified with the experimental results.
A pilot study evaluating online training for therapist delivery of interpersonal psychotherapy for eating disorders
Authors: Karam Jones Anna M. , Fitzsimmons‐Craft Ellen E. , D'Adamo Laura , Eichen Dawn M. , Graham Andrea K. , Kolko Conlon Rachel P. , Balantekin Katherine N. , Welch R. Robinson , Agras W. Stewart , Wilson G. Terence , Wilfley Denise E.
Published: April 2024

Objective

Individuals with eating disorders (EDs) often do not receive evidence‐based care, such as interpersonal psychotherapy (IPT), partly due to lack of accessible training in these treatments. The standard method of training (i.e., in‐person workshops) is expensive and time consuming, prompting a need for more scalable training tools. The primary aim of this pilot and open trial was to examine the effects of an IPT online training platform on training outcomes (i.e., IPT fidelity, knowledge, and acceptance) and, secondarily, whether online training was different from in‐person training (using a comparative sample from a separate study) in terms of training outcomes and patient symptoms.

Method

Participants were therapists (N = 60) and student patients (N = 42) at 38 college counseling centers. Therapists completed baseline questionnaires and collected data from a student patient with ED symptoms. Therapists then participated in an IPT online training program and completed post‐training assessments.

Results

Following online training, acceptance of evidence‐based treatments, therapist knowledge of IPT, therapist acceptance of IPT, and treatment fidelity increased; acceptance of online training was high at baseline and remained stable after training. Using the 90% confidence interval on outcome effect sizes, results suggested IPT online training was not different from in‐person training on most outcomes. Results are based on 60% of therapists who originally enrolled due to high dropout rate of therapist participants.

Conclusions

Findings from this preliminary pilot study support the use of IPT online training, which could increase access to evidence‐based ED treatment and improve patient care.

Public significance

Lack of accessible therapist training has contributed to many therapists not delivering, and therefore many patients not receiving, evidence‐based treatment. This study evaluated a highly disseminable online training and compared outcomes to traditional in‐person training and found that training and patient outcomes were not different. Online training has the potential to enhance access to evidence‐base care, which could in turn optimize patient outcomes.
Novel Ferrocenyl‐azole Derivatives: Synthesis, DFT Calculation and Unlocking the Anticancer Potential
Authors: Tomar Vijesh , Kumar Parveen , Sharma Deepak , Singh Tejveer , Nemiwal Meena , Joshi Raj Kumar
Published: April 2024

Herein, a series of novel ferrocenyl/phenyl/thiophenyl‐azoles was disclosed by vinylic amination of ferrocenyl/phenyl/thiophenyl substituted β‐chloro cinnamaldehydes and acrylonitriles. A highly economical and robust chalcogen‐stabilized iron selenide carbonyl cluster Fe3Se2(CO)9 worked as an efficient catalyst under aerobic conditions. The amination of ferrocenyl/phenyl/thiophenyl substituted β‐chloro‐vinylic Csp2‐Cl with azole derivatives was fully established and fabrication of the Csp2‐N bond was completely supported by various spectral analysis. Moreover, wide range of substrates with functionally different azoles were investigated for the present reaction and good to excellent transformation was recorded. Some of the selected ferrocenated azole derivatives were screened for anti‐cancer activity against the prostate cancer cells (PC‐3) and found to be highly active at low concentration of 5.77 μM with IC50 value. Furthermore, HOMO and LUMO levels and energy gap of some selected compounds were calculated by the density functional theory (DFT).
Transfer Hydrogenolysis of O‐ and N‐Benzyl Groups in Water with Tetrahydroxydiboron by Using an Amphiphilic Polymer‐Supported Nano‐Palladium Catalyst
Authors: Zhang Kaili , Okumura Shintaro , Uozumi Yasuhiro
Published: April 2024

Debenzylation of O‐ and N‐benzyl groups was achieved under safe and mild conditions by using B2(OH)4 as an alternative to gaseous hydrogen in the presence of an amphiphilic polystyrene‐poly(ethylene glycol) resin‐supported nano‐palladium catalyst (ARP−Pd) in water. Benzyl groups of a variety of benzylic ethers, esters, carbamates, and amines, including benzyl‐protected carbohydrates and amino acids, were reductively removed in high yields. ARP−Pd was recovered by simple filtration and reused seven times without a significant loss of its catalytic activity.
Basin‐scale responses of groundwater‐resource quality to drought and recovery, San Joaquin Valley, California
Authors: Levy Zeno F. , Jurgens Bryant C. , Faulkner Kirsten E. , Harkness Jennifer S. , Fram Miranda S.
Published: April 2024

Groundwater‐resource quality is assumed to be less responsive to drought compared to that of surface water due to relatively long transit times of recharge to drinking‐supply wells. Here, we evidence dynamic perturbations in aquifer pressure dynamics during drought and subsequent recovery periods cause dramatic shifts in groundwater quality on a basin scale. We used a novel application of time‐series clustering on annual nitrate anomalies at >450 public‐supply wells (PSWs) across California's San Joaquin Valley during 2000–22 to group sub‐populations of wells with similar water‐quality responses to drought. Additionally, we statistically evaluated the direction and magnitude of multi‐constituent water‐quality changes across the San Joaquin Valley using a broader dataset of >3000 PSWs with data during two select hydrologic stress periods representing an extreme drought (2012–16) and subsequent recovery (2016–19). Results of time‐series clustering and stress‐period change analyses corroborate a predominant regional response to pumping stress characterized by increased concentrations of anthropogenic constituents (nitrate, total dissolved solids) and decreased concentrations of geogenic constituents (arsenic, fluoride), which largely reversed during recovery. Cluster analysis also identified a secondary, less commonly occurring group of PSWs where nitrate decreased during drought, but explanatory factor analysis was not able to discern hydrogeologic drivers for these two divergent response patterns. Long‐term tracer data support the hypothesis that the predominant regional signal of nitrate increase during drought is caused by enhanced capture of modern‐aged groundwater by PSWs during periods of pumping stress, which can drive rapid changes in water quality on seasonal and multiannual timescales. Pumping‐induced migration of modern, oxic groundwater to depth during drought may affect geochemical conditions in deeper portions of regional aquifers controlling the mobility of geogenic contaminants over the long term.
Expectations and basic knowledge in ultrasound screening among pregnant women: A questionnaire survey
Authors: Agostinho David Daniela , Pires Rafaela , Fonseca Maria João , Xavier Miguel , Branco Miguel
Published: April 2024

Objective

This study aimed to evaluate the disparity of the expectations and basic knowledge of prenatal ultrasound (US) screening among pregnant women and make a comparison with the current scientific knowledge and national recommendations. We hypothesize that sociodemographic factors, including age, education, and professional occupation, may be associated with different levels of knowledge.

Methods

This was a cross‐sectional study performed in 2021 of 336 women aged 18 to 46 years in a maternity facility in a tertiary hospital in Portugal. The main outcome measures were questionnaire data from questions divided into four categories (sociodemographic, expectations, knowledge, and final considerations/suggestions). The data were grouped according to the sociodemographic factors (age, educational level, and professional occupation) and analyzed and compared as a function of the social groups as well as overall tendencies.

Results

Our data confirmed a significant discrepancy between the expectations and general knowledge of pregnant women regarding prenatal US when compared with the current scientific knowledge. Importantly, we found that both depended greatly on sociodemographic factors, particularly educational level. This reiterated the importance of conducting effective dissemination actions of current scientific knowledge, focusing on the main objectives of US screening as well as the limitations of the existing technology.

Conclusion

This study will help in defining strategies for future dissemination actions aiming to improve current practice and lead to a higher synchrony of expectations towards US between couples and practitioners.
Individualism, collectivism and conformity in nine countries: Relations with parenting and child adjustment
Authors: Gorla Laura , Rothenberg W. Andrew , Lansford Jennifer E. , Yotanyamaneewong Saengduean , Alampay Liane Peña , Al‐Hassan Suha M. , Bacchini Dario , Bornstein Marc H. , Breiner Kaitlyn , Chang Lei , Deater‐Deckard Kirby , Di Giunta Laura , Dodge Kenneth A. , Gurdal Sevtap , Junla Daranee , Oburu Paul , Pastorelli Concetta , Santona Alessandra , Skinner Ann T. , Sorbring Emma , Steinberg Laurence , Uribe Tirado Liliana Maria
Published: April 2024

This study investigated how individualism, collectivism and conformity are associated with parenting and child adjustment in 1297 families with 10‐year‐old children from 13 cultural groups in nine countries. With multilevel models disaggregating between‐ and within‐culture effects, we examined between‐ and within‐culture associations between maternal and paternal cultural values, parenting dimensions and children's adjustment. Mothers from cultures endorsing higher collectivism and fathers from cultures endorsing lower individualism engage more frequently in warm parenting behaviours. Mothers and fathers with higher‐than‐average collectivism in their culture reported higher parent warmth and expectations for children's family obligations. Mothers with higher‐than‐average collectivism in their cultures more frequently reported warm parenting and fewer externalising problems in children, whereas mothers with higher‐than‐average individualism in their culture reported more child adjustment problems. Mothers with higher‐than‐average conformity values in their culture reported more father‐displays of warmth and greater mother‐reported expectations for children's family obligations. Fathers with higher‐than‐average individualism in their culture reported setting more rules and soliciting more knowledge about their children's whereabouts. Fathers who endorsed higher‐than‐average conformity in their culture displayed more warmth and expectations for children's family obligations and granted them more autonomy. Being connected to an interdependent, cohesive group appears to relate to parenting and children's adjustment.
User readiness as a determinant for use of big data analytics: A case of state corporations in Kenya
Authors: Imende‐Obonyo Vera , Njihia James Muranga , Iraki X. N.
Published: April 2024

State corporations in Kenya are installing systems to provide real‐time data to enhance decision making, customer base growth, and revenue generation. However, these organizations must still determine their readiness for big data analytics. User readiness as a determinant for use of big data analytics in developing countries like Kenya has received limited coverage in literature. Yet, successful implementation necessitates users' preparedness and willingness to use the technology. Grounded theory was used in this study, which involved eight state corporations in Kenya. Four categories emerged from the data: user attributes, change management, ICT competence, and decision‐making culture. The proposed interventions to improve user readiness are top leadership support, user engagement, change management strategies, capacity‐building programs, and data governance. The article contributes to literature by exploring the gap between user readiness and use of big data analytics in state corporations in Kenya. It additionally offers practitioners, decision‐makers, and government officials in developing countries, factors that can increase use of big data analytics.