bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surface Formamidine Cation Immobilization for Efficient FA‐Based Perovskites Solar Cells
Authors: Liu Hanfeng , Liu Tiantian , Wang Xingtao , Hu Guangcai , Zheng Baochao , Yu Xuegong , Wang Yong , Yang Deren 
Published: August 2024

AbstractState‐of‐the‐art perovskite solar cells (PSCs) continue to encounter stability challenges throughout their current commercialization process, primarily due to the instable organic components. Especially, surface (interface) imperfections, like the undercoordinated Pb2+ and halide sites, further compromise the confinement of organic cations at the surface (interface) and provide a rapid pathway for ion migration and volatilization, decreasing stability and efficiency. Herein, the study has developed a surface Formamidine (FA) cation immobilization strategy through hydrogen bond effect, achieved by a post‐treatment of piperazine dihydrochloride (PDCl2), to obtain stable FA‐based perovskites. The piperazine can immobilize surface FA+ cation through hydrogen bond. Moreover, the post‐treatment of PDCl2 can induce surface Cl– doping to establish strong coordinating bond with the uncoordinated Pb2+, reducing the imperfections of surface octahedral cage. Such a synergistic effect effectively constrains surface FA+ cations, simultaneously alleviates surface lattice stress. Because of improved surface properties, the resultant perovskite demonstrates not only outstanding light/thermal stability, but also more pronounced n‐type characteristics and uniform potential distribution for improving charge transfer dynamics. Finally, the champion PSCs exhibit a significantly enhanced efficiency from 23.15% to 25.52%. Moreover, these PSCs exhibit excellent stability: retain 91% of their initial efficiency after over 1000 h maximum power point test.
Fasting and calorie restriction modulate age‐associated immunosenescence and inflammaging
Authors: Tizazu Anteneh Mehari 
Published: August 2024

AbstractAging is a multifaceted process impacting cells, tissues, organs, and organ systems of the body. Like other systems, aging affects both the adaptive and the innate components of the immune system, a phenomenon known as immunosenescence. The deregulation of the immune system puts elderly individuals at higher risk of infection, lower response to vaccines, and increased incidence of cancer. In the Western world, overnutrition has increased the incidence of obesity (linked with chronic inflammation) which increases the risk of metabolic syndrome, cardiovascular disease, and cancer. Aging is also associated with inflammaging a sterile chronic inflammation that predisposes individuals to age‐associated disease. Genetic manipulation of the nutrient‐sensing pathway, fasting, and calorie restriction (CR) has been shown to increase the lifespan of model organisms. As well in humans, fasting and CR have also been shown to improve different health parameters. Yet the direct effect of fasting and CR on the aging immune system needs to be further explored. Identifying the effect of fasting and CR on the immune system and how it modulates different parameters of immunosenescence could be important in designing pharmacological or nutritional interventions that slow or revert immunosenescence and strengthen the immune system of elderly individuals. Furthermore, clinical intervention can also be planned, by incorporating fasting or CR with medication, chemotherapy, and vaccination regimes. This review discusses age‐associated changes in the immune system and how these changes are modified by fasting and CR which add information on interventions that promote healthy aging and longevity in the growing aging population.
A Metal‐Free Amination of 1,2‐Diaza‐1,3‐dienes Using Hydrazine Hydrate Through N−N Bond Cleavage
Authors: Kumar Abhishek , Jaiswal Arvind Kumar , Kushawaha Ajay Kishor , Singh Anushka , Kant Ruchir , Shukla Sanjeev K. , Sashidhara Koneni V. 
Published: August 2024

AbstractHerein, we have developed a metal‐free, atom‐economical, intrinsically sustainable approach for synthesizing unprotected 4,5‐diamino pyrazoles from readily available 1,2‐diaza‐1,3‐dienes. This approach utilizes inexpensive hydrazine hydrate as the aminating source. Further, we have explored the reactivity of 4,5‐diamino pyrazole to synthesize fused pyrazolo[3,4‐d]‐1,2,3‐triazole heterocyclic compounds. We have also successfully demonstrated the synthetic utility of this methodology in synthesizing two drug analogs: analgesic difenamizole and anti‐psychotic CDPPB. The role of the phenyl ring of 3‐substituted‐1,2‐diaza‐1,3‐diene was explained with the help of control experimental and density functional theory (DFT) computation studies.
Reversible Local Protonation‐Deprotonation: Tuning Stimuli‐Responsive Circularly Polarized Luminescence in Chiral Hybrid Zinc Halides for Anti‐Counterfeiting and Encryption
Authors: Liu Dan‐Yang , Xiong Lin‐Yuan , Dong Xi‐Yan , Han Zhen , Liu Hua‐Li , Zang Shuang‐Quan 
Published: August 2024

AbstractPrecise control over the organic composition is crucial for tailoring the distinctive structures and properties of hybrid metal halides. However, this approach is seldom utilized to develop materials that exhibit stimuli‐responsive circularly polarized luminescence (CPL). Herein, we present the synthesis and characterization of enantiomeric hybrid zinc bromides: biprotonated ((R/S)‐C12H16N2)ZnBr4 ((R/S‐LH2)ZnBr4) and monoprotonated ((R/S)‐C12H15N2)2ZnBr4 ((R/S‐LH1)2ZnBr4), derived from the chiral organic amine (R/S)‐2,3,4,9‐Tetrahydro‐1H‐carbazol‐3‐amine ((R/S)‐C12H14N2). These compounds showcase luminescent properties; the zero‐dimensional biprotonated form emits green light at 505 nm, while the monoprotonated form, with a pseudo‐layered structure, displays red luminescence at 599 and 649 nm. Remarkably, the reversible local protonation‐deprotonation behavior of the organic cations allows for exposure to polar solvents and heating to induce reversible structural and luminescent transformations between the two forms. Theoretical calculations reveal that the lower energy barrier associated with the deprotonation process within the pyrrole ring is responsible for the local protonation‐deprotonation behavior observed. These enantiomorphic hybrid zinc bromides also exhibit switchable circular dichroism (CD) and CPL properties. Furthermore, their chloride counterparts were successfully obtained by adjusting the halogen ions. Importantly, the unique stimuli‐responsive CPL characteristics position these hybrid zinc halides as promising candidates for applications in information storage, anti‐counterfeiting, and information encryption.
Long‐Life All‐Solid‐State Batteries Enabled by Cold‐Pressed Garnet Composite Electrolytes with Enhanced Li+ Conduction
Authors: Xiong Bing‐Qing , Zhang Jianwei , Nian Qingshun , Liu Xiaoye , Jiang Jinyu , Wang Zihong , Yang Zhenzhong , Ren Xiaodi 
Published: August 2024

AbstractGarnet Li7La3Zr2O12 (LLZO)‐based solid‐state electrolytes (SSEs) hold promise for realizing next‐generation lithium metal batteries with high energy density. However, the high stiffness of high‐temperature sintered LLZO makes it brittle and susceptible to strain during the fabrication of solid‐state batteries. Cold‐pressed LLZO exhibits improved ductility but suffers from insufficient Li+ conductivity. Here, we report cold‐pressed Ta‐doped LLZO (Ta−LZ) particles integrated with ductile Li6PS5Cl (LPSC) via a Li+ conductive Li‐containing Ta−Cl structure. This configuration creates a continuous Li+ conduction network by enhancing the Li+ exchange at the Ta−LZ/LPSC interface. The resulting Ta−LZ/LPSC SSE exhibits Li+ conductivity of 4.42×10−4 S cm−1 and a low activation energy of 0.31 eV. Li symmetric cells with Ta−LZ/LPSC SSE demonstrate excellent Li dendrite suppression ability, with an improved critical current density of 5.0 mA cm−2 and a prolonged cycle life exceeding 600 h at 1 mA cm−2. Our finding provides valuable insights into developing cold‐pressed ceramic powder electrolytes for high‐performance all‐solid‐state batteries.
Nonplanar Nanographene: A Hydrocarbon Hole‐Transporting Material That Competes with Triarylamines
Authors: Morinaka Yuta , Ito Hideto , Fujimoto Kazuhiro J. , Yanai Takeshi , Ono Yohei , Tanaka Tsuyoshi , Itami Kenichiro 
Published: August 2024

AbstractHole‐transporting materials (HTMs) are essential for optoelectronic devices, such as organic light‐emitting diodes (OLEDs), dye‐sensitized solar cells, and perovskite solar cells. Triarylamines have been employed as HTMs since they were introduced in 1987. However, heteroatoms or side chains embedded in the core skeleton of triarylamines can cause thermal and chemical stability problems. Herein, we report that hexabenzo[a,c,fg,j,l,op]tetracene (HBT), a small nonplanar nanographene, functions as a hydrocarbon HTM with hole transport properties that match those of triarylamine‐based HTMs. X‐ray structural analysis and theoretical calculations revealed effective multidirectional orbital interactions and transfer integrals for HBT. In‐depth experimental and theoretical analyses revealed that the nonplanarity‐inducing annulative π‐extension can achieve not only a stable amorphous state in bulk films, but also a higher increase in the highest occupied molecular orbital level than conventional linear or cyclic π‐extension. Furthermore, an in‐house manufactured HBT‐based OLED exhibited excellent performance, featuring superior curves for current density–voltage, external quantum efficiency–luminance, and lifetime compared to those of representative triarylamine‐based OLEDs. A notable improvement in device lifetime was observed for the HBT‐based OLED, highlighting the advantages of the hydrocarbon HTM. This study demonstrates the immense potential of small nonplanar nanographenes for optoelectronic device applications.
Highly Potent and Intestine Specific P‐Glycoprotein Inhibitor to Enable Oral Delivery of Taxol
Authors: Zhou Xianjing , Zhang Ping , Yang Yuyan , Shi Wei , Liu Lei , Lai Zhencheng , Zhang Xing , Pan Peichen , Li Lan , Du Juan , Qian Hai , Cui Sunliang 
Published: August 2024

AbstractTaxol is widely used in cancer chemotherapy; however, the oral absorption of Taxol remains a formidable challenge. Since the intestinal p‐glycoprotein (P‐gp) mediated drug efflux is one of the primary causes, the development of P‐gp inhibitor is emerging as a promising strategy to realize Taxol's oral delivery. Because P‐gp exists in many tissues, the non‐selective P‐gp inhibitors would lead to toxicity. Correspondingly, a potent and intestine specific P‐gp inhibitor would be an ideal solution to boost the oral absorption of Taxol and avoid exogenous toxicity. Herein, we would like to report a highly potent and intestine specific P‐gp inhibitor to enable oral delivery of Taxol in high efficiency. Through a multicomponent reaction and post‐modification, various benzofuran‐fused‐piperidine derivatives were achieved and the biological evaluation identified 16 c with potent P‐gp inhibitory activity. Notably, 16 c was intestine specific and showed almost none absorption (F=0.82 %), but possessing higher efficacy than Encequidar to improve the oral absorption of Taxol. In MDA‐MB‐231 xenograft model, the oral administration of Taxol and 16 c showed high therapeutic efficiency and low toxicity, thus providing a valuable chemotherapy strategy.
Dimethyl sulfoxide, an alternative for control of Nosema ceranae infection in honey bees (Apis mellifera)
Authors: Ho Shang‐Tse , Nai Yu‐Shin , Chang Zih‐Ting , Chang Ju‐Chun , Hsu Wei‐Chen , Ko Chung‐Yu , Chen Yue‐Wen , Yang Yu‐Liang 
Published: August 2024

AbstractNosema ceranae is a microsporidian parasite that threatens current apiculture. N. ceranae‐infected honey bees (Apis mellifera) exhibit morbid physiological impairments and reduced honey production, malnutrition, shorter life span, and higher mortality than healthy honey bees. In this study, we found that dimethyl sulfoxide (DMSO) could enhance the survival rate of N. ceranae‐infected honey bees. Therefore, we investigated the effect of DMSO on N. ceranae‐infected honey bees using comparative RNA sequencing analysis. Our results revealed that DMSO was able to affect several biochemical pathways, especially the metabolic‐related pathways in N. ceranae‐infected honey bees. Based on these findings, we conclude that DMSO may be a useful alternative for treating N. ceranae infection in apiculture.
MaxKinEff: A Collision Theory‐Based Approach for Analyzing Turnover Frequency and Turnover Number in Catalytic Processes
Authors: Bhattacharyya Himangshu Pratim , Sarma Manabendra 
Published: August 2024

AbstractThe efficiency of catalysts relies on comprehending the underlying kinetics that govern their performance. Under the steady‐state regime, the “rate” is referred to as the turnover frequency, where the reaction rate is first order with respect to catalysts. Here, we introduce the Maximum Kinetic Efficiency (MaxKinEff) model, grounded in collision theory, to predict efficiency based on maximum turnover frequency,
and maximum turnover number,
. The model was applied to molecular water oxidation using twenty‐six transition metal catalysts from the first (3d), second (4d), and third (5d) rows. A thorough investigation reveals that [Ru(pda)(Br‐py)2] (pda=1,10‐phenanthroline‐2,9‐dicarboxylate; Py=pyridinophane) exhibits a notable
of 1176.87×10−5 s−1 due to its larger collision diameter (σRC) and lower activation energy (Ea). Importantly, the trend in the computed
values aligns with experimental TON,
validating the model's accuracy. For instance, [Cp*Ir(κ2‐N,O)NO3] is identified by MaxKinEff as a standout performer, with the normalized maximum computed TON,
resembling the experimental TON,
=2000.
SuFEx‐Functionalized Quinones via Ruthenium‐Catalyzed C−H Alkenylation: A Potential Building Block for Bioactivity Valorization
Authors: de Oliveira Joyce C. , Abreu Breno U. , Paz Esther R. S. , Almeida Renata G. , Honorato João , Souza Cauê P. , Fantuzzi Felipe , Ramos Victor F. S. , Menna‐Barreto Rubem F. S. , Araujo Maria H. , Jardim Guilherme A. M. , da Silva Júnior Eufrânio N. 
Published: August 2024

AbstractHerein, we describe the Ru‐catalyzed C−H alkenylation of 1,4‐naphthoquinones (1,4‐NQs), resulting in 1,4‐naphthoquinoidal/SuFEx hybrids with moderate to good yields. This method provides a novel route for direct access to ethenesulfonyl‐fluorinated quinone structures. We conducted mechanistic studies to gain an in‐depth understanding of the elementary steps of the reaction. Additionally, we evaluated the prototypes against trypomastigote forms of T. cruzi, leading to the identification of compounds with potent trypanocidal activity.
Pore‐Filling Induced Solid Electrolyte Failure of Ti‐Doped Na3Zr2Si2PO12 Characterized by Operando Synchrotron X‐Ray Tomography**
Authors: Li Mengya , Dixit Marm , Shevchenko Pavel , De Carlo Francesco , Balasubramanian Mahalingam , Belharouak Ilias 
Published: August 2024

AbstractSolid‐state batteries (SSBs), particularly those utilizing sodium metal, are emerging as a promising technology due to their potential for enhanced safety, higher energy density, and longer cycle life. NASICON (Na superionic conductor) materials, known for their robust crystalline structure and high ionic conductivity, are pivotal in the development of efficient sodium all‐solid‐state batteries. These materials exhibit high room‐temperature ionic conductivity and electrochemical stability, making them ideal for various applications. Research has focused on improving NASICON's ionic conductivity and stability through doping, interface regulation, and composite anode design. Recent advancements include Ti‐doped Na3Zr2Si2PO12 (Ti‐NZSP), which demonstrates improved surface stability, higher ionic conductivity, and increased critical current density. However, challenges such as Na dendrite formation and mechanical integrity under operational conditions persist. Advanced imaging techniques like operando synchrotron X‐ray tomography have provided insights into failure mechanisms, revealing that pore‐filling and dendrite growth are significant issues. Understanding these processes is essential for enhancing the performance and safety of Na‐based SSBs. This study underscores the need for continued research to address these challenges and develop reliable, high‐performance solid‐state electrolytes for future energy storage solutions.
Lead brownfields and birth defects in North Carolina 2003–2015: A cross‐sectional case–control study
Authors: Slawsky Erik D. , Weaver Anne M. , Luben Thomas J. , Rappazzo Kristen M. 
Published: August 2024

AbstractBackgroundBrownfields consist of abandoned and disused sites, spanning many former purposes. Brownfields represent a heterogenous yet ubiquitous exposure for many Americans, which may contain hazardous wastes and represent urban blight. Neonates and pregnant individuals are often sensitive to subtle environmental exposures. We evaluate if residential exposure to lead (Pb) brownfields is associated with birth defects.MethodsUsing North Carolina birth records from 2003 to 2015, we sampled 169,499 births within 10 km of a Pb brownfield with 3255 cardiovascular, central nervous, or external defects identified. Exposure was classified by binary specification of residing within 3 km of a Pb brownfield. We utilized multivariable logistic regression models adjusted for demographic covariates available from birth records and 2010 Census to estimate odds ratios (OR) and 95% confidence intervals (CI). Effect measure modification was assessed by inclusion of interaction terms and stratification for the potential modifiers of race/ethnicity and diabetes status.ResultsWe observed positive associations between cardiovascular birth defects and residential proximity to Pb brownfields, OR (95%CI): 1.15 (1.04, 1.26), with suggestive positive associations for central nervous 1.16 (0.91, 1.47) and external defects 1.19 (0.88, 1.59). We did observe evidence of effect measure modification via likelihood ratio tests (LRT) for race/ethnicity for central nervous and external defect groups (LRT p values 0.08 and 0.02). We did observe modification by diabetes status for the cardiovascular group (LRT p value 0.08).ConclusionsOur results from this analysis indicate that residential proximity to Pb brownfields is associated with cardiovascular birth defects with suggestive associations for central nervous and external defects. In‐depth analyses of individual defects and other contaminants or brownfield site functions may reveal additional novel associations.
The influence of apigenin on cellular responses to radiation: From protection to sensitization
Authors: Monadi Taha , Mohajer Zahra , Soltani Afsaneh , Khazeei Tabari Mohammad Amin , Manayi Azadeh , Azadbakht Mohammad 
Published: August 2024

AbstractApigenin, a dietary flavonoid, has gained increasing attention for its potential therapeutic applications in radiation protection and radiosensitization. Ionizing radiation (IR) can harm healthy cells, but as radiotherapy remains crucial in cancer treatment. Owing to the remarkable application of radiotherapy in the treatment of cancers, it is vital to protect healthy cells from radiation hazards while increasing the sensitivity of cancer cells to radiation. This article reviews the current understanding of apigenin's radioprotective and radiosensitive properties with a focuses on the involved signaling pathways and key molecular targets. When exposed to irradiation, apigenin reduces inflammation via cyclooxygenase‐2 inhibition and modulates proapoptotic and antiapoptotic biomarkers. Apigenin's radical scavenging abilities and antioxidant enhancement mitigate oxidative DNA damage. It inhibits radiation‐induced mammalian target of rapamycin activation, vascular endothelial growth factor (VEGF), matrix metalloproteinase‐2 (MMP), and STAT3 expression, while promoting AMPK, autophagy, and apoptosis, suggesting potential in cancer prevention. As a radiosensitizer, apigenin inhibits tumor growth by inducing apoptosis, suppressing VEGF‐C, tumor necrosis factor alpha, and STAT3, reducing MMP‐2/9 activity, and inhibiting cancer cell glucose uptake. Cellular and animal studies support apigenin's radioprotective and anticancer potential, making it a potential candidate for further research. Investigation into apigenin's therapeutic efficacy in diverse cancer types and radiation damage is essential.
“CARBGAME” (CARd & Board GAmes in Medical Education) as an innovative gamification tool for learning clinical enzymology in biochemistry for first year medical students
Authors: Surapaneni Krishna Mohan 
Published: August 2024

AbstractGamification is emerging as an active learning innovation in medical education to enhance student engagement and promote life‐long learning in a unique and collaborative environment. Clinical enzymology in biochemistry is one of the core topics in the medical curriculum. However, students face challenges in comprehension and retention of information. Hence, CARd & Board GAmes in Medical Education (CARBGAME) was introduced and evaluated for its effectiveness in enhancing learning, application, and retention of knowledge in clinical enzymology via gamification context. This mixed‐method study involved 150 first‐year undergraduate medical students. Before the game, students completed a pre‐test in clinical enzymology. Later they were divided into 25 small groups to compete in the board game designed for enzymology in biochemistry. The students took turns throwing the dice and answering the questions on the game board to continue moving forward. The first team to reach 100 and solve the case‐based question was deemed the winner. Following the board game, the students took up the post‐test to compare the educational impact of the innovation. Also, the subsequent internal assessment scores were compared with previous batch who were not implemented with this intervention. Then students evaluated the effectiveness of CARBGAME—Clinical Enzymology using a 32‐item questionnaire on 5‐point Likert scale. The feedback obtained on a 10‐point rating scale and for qualitative analysis, students' and faculty perceptions were recorded in small groups. CARBGAME received overwhelmingly positive feedback from both students and faculty. It was perceived well by students for being fun, relevant, consistent, motivating, collaborative, and promoting experiential learning. The game's low‐stakes approach, effective feedback, and sense of accomplishment were highly appreciated, making it a valuable tool for education. A significant improvement in knowledge was recorded, from a mean score of 8.37 ± 1.126 on a 20‐point scoring scale before the game to 16.53 ± 1.219 after with a p‐value of 0.0001. The comparison of the internal assessment scores between the intervention and non‐intervention group of students also showed a significant improvement among those implemented with CARBGAME (p < 0.0001). The CARBGAME innovation has achieved the intended outcome of promoting active learning and enhanced performance in clinical enzymology. Highly positive responses from faculty and students also indicate the exigent need to introduce innovative components like games into curricula to achieve student engagement and promote a meaningful learning experience.