bluuebunny/crossref_metadata_2025 huggingface dataset:
Designing Ionic Ir(III) Cyclometalated Complexes as Photocatalysts for Light Assisted ATRP of MMA. A Combined Experimental and Mechanistic Study
Authors: Vigarani Giulia , Marchini Edoardo , Previati Eleonora , Giorgini Loris , Zacchini Stefano , Argazzi Roberto , Massi Massimiliano , Fiorini Valentina , Caramori Stefano , Stagni Stefano
Published: March 2024

A new family of ionic Ir(III) cyclometalated complexes with general formula [Ir(CN)2(NN)][Br], was designed and prepared to be assessed as photocalysts for the visible light assisted ATRP polymerization of MMA. To this purpose, our design strategy involved both: i) the decoration of the cyclometalating (CN) and the ancillary (NN) ligands with various electron withdrawing and/or electron donor substituents and, ii) the use of Br− as the counter anion for these cationic Ir(III) species. After an extensive screening in which the [Ir(CN)2(NN)][Br]‐type compounds were compared to the model neutral complex fac‐[Ir(ppy)3], the “fully” amino‐substituted ion pairs abbreviated as [10][Br] and [11][Br], exhibited the best photocatalytic performances under irradiation with CFL lamps. It is worth noting that the outcomes of transient absorption spectroscopy (TAS) experiments combined with theoretical DFT calculations, enlightened the role played by the Ir(III) complexes in the mechanism of the photoATRP process, and suggested the rationalization of the different performances that were highlighted by our Ir(III) catalyst in the visible light assisted photopolymerization of MMA.
Bimodal Use of Chiral α‐Trifluoromethylalanine in Aib Foldamers: Study of the Position Impact Towards the Helical Screw‐Sense Preference
Authors: Picois Nathan , Bodero Lizeth , Milbeo Pierre , Brigaud Thierry , Chaume Grégory
Published: March 2024

Oligomers of the achiral α‐aminoisobutyric acid (Aib) adopt a 310 helical conformation in which the screw‐sense preference can be controlled by a single chiral residue. The use of the fluorinated residue α‐Trifluoromethylalanine (α‐TfmAla) revealed a unique way to both induce and measure the screw‐sense preference of such oligomers acting as 19F NMR probe. This work proposes a systematic study of the effect of this fluorinated chiral inducer on the helical screw‐sense preference of poly‐Aib oligomers. The impact of the position of the fluorinated residue into pentamers (N‐terminal, central or C‐terminal) as well as the nature of the C‐terminal capping of the peptides was thoroughly studied in light of complete structural analysis. A deeper understanding of the fluorine effect was achieved confirming the unique ability of α‐TfmAla as a helical screw‐sense controller.
N,N’‐Diaryl‐Sulfurdiimides are Strongly Redox Tuned
Authors: Hill Nathan D. D. , Boeré René T.
Published: March 2024

The synthesis and extensive characterization of nine aryl sulfur diimides (SDIs, Ar−NSN−Ar) are presented with a robust computational and experimental investigation of the fundamental properties of these important members of the thiazyl family of compounds, with particular attention paid to their highly tunable electrochemical behaviour. This is the first work to undertake a systematic comparison of the electrochemical profiles of a coherent series of SDIs to demonstrate and quantify the response of their reduction potentials to substituent electron‐donating and ‐withdrawing properties. This effect is found to be not only exceptionally strong, but also correlates very closely with computed orbital energies. Electron paramagnetic resonance spectroscopy is used to determine the nature, localization, and qualitative lifetimes of the radical anions of SDIs. This work also addresses significant misconceptions about physical properties of SDIs. Experimental data and modern computational methods are employed to provide a resolute answer to the long‐standing contention of the solution‐state conformations of SDIs, and to correct historical mistakes in the assignment of infrared spectroscopic data. High‐quality crystal structures of all SDIs in this work showcase the utility of the recently introduced structural refinement software NoSpherA2, enabling full anisotropic refinement of H‐atoms with accurate C−H bond lengths.
Fotokatalyse mit Johanniskraut
Authors: Fries Hanna , Amrhein Hannah , Fries Lena
Published: March 2024

Johanniskraut faszinierte uns, weil sich mit dem fotoaktiven Inhaltsstoff Hypericin grüne Chemie gestalten lässt. Als experimentelle Leitlinie diente uns das Photo‐Blue‐Bottle‐Experiment. Mit ihm ließ sich zeigen, dass der Fotokatalysator im gesamten sichtbaren Spektralbereich aktiv ist. Wir bauten Farbstoffe fotokatalytisch mit Tageslicht ab, entwickelten einen Test zur Bestimmung der Fotokatalyse‐Aktivität und wandelten Licht in messbare Spannung um. Auch die fotokatalytische Reduktion von CO2 zu CO und von Bromacetophenon zu Acetophenon gelang.
Copper and Copper Complexes in Tumor Therapy
Authors: Wang Yingqiao , Tang Tingxi , Yuan Yi , Li Nan , Wang Xiaoqing , Guan Jian
Published: March 2024

Copper (Cu), a crucial trace element in physiological processes, has garnered significant interest for its involvement in cancer progression and potential therapeutic applications. The regulation of cellular copper levels is essential for maintaining copper homeostasis, as imbalances can lead to toxicity and cell death. The development of drugs that target copper homeostasis has emerged as a promising strategy for anticancer treatment, with a particular focus on copper chelators, copper ionophores, and novel copper complexes. Recent research has also investigated the potential of copper complexes in cancer therapy.
Combinatorial Libraries of Bipodal Binders of the Insulin Receptor
Authors: Selicharová Irena , Fabre Benjamin , Soledad Garre Hernández María , Lubos Marta , Pícha Jan , Voburka Zdeněk , Mitrová Katarína , Jiráček Jiří
Published: March 2024

The binding process of insulin to its transmembrane receptor entails a sophisticated interplay between two proteins, each possessing two binding sites. Given the difficulties associated with the use of insulin in the treatment of diabetes, despite its remarkable efficacy, there is interest in smaller and more stable compounds than the native hormone that would effectively activate the receptor. Our study adopts a strategy focused on synthesizing extensive combinatorial libraries of bipodal compounds consisting of two distinct peptides linked to a molecular scaffold. These constructs, evaluated in a resin bead‐bound format, were designed to assess their binding to the insulin receptor. Despite notable nonspecific binding, our approach successfully generated and tested millions of compounds. Rigorous evaluations via flow cytometry and specific antibodies revealed peptide sequences with specific interactions at either receptor binding Site 1 or 2. Notably, these sequences bear similarity to peptides discovered through phage display by other researchers. This convergence of chemical and biological methods underscores nature‘s beauty, revealing general principles in peptide binding to the insulin receptor. Overall, our study deepens the understanding of molecular interactions in ligand binding to the insulin receptor, highlighting the challenges of targeting large proteins with small synthetic peptides.
Iridium Nanoparticles as Highly Effective Peroxidase Mimics: Synthesis, Characterization, and Application in Biosensing
Authors: Gao Weiwei , Sun Xiaohan , Yishay Tamar , Wei Zhiyuan , Zhu Xiangyu , Kim Moon J. , Xia Xiaohu
Published: March 2024

Peroxidase mimics made of inorganic nanomaterials as alternatives to natural peroxidases have been extensively developed over the past few decades, owing to their superior properties relative to their natural counterparts. Nevertheless, it has been still a challenge to substantially enhance the catalytic efficiency of peroxidase mimics. In this work, we report a type of highly efficient peroxidase mimics that are made of iridium nanoparticles (Ir NPs) with rough surfaces. The Ir NPs possess an ultrahigh catalytic efficiency with a catalytic constant (Kcat) at the regime of 1010 s−1, orders of magnitude higher than the Kcat of horseradish peroxidase as a natural peroxidase. As a proof‐of‐concept demonstration, the Ir NPs were applied to colorimetric lateral flow assay (CLFA). Using carcinoembryonic antigen as a model disease biomarker, the Ir NPs‐based CLFA achieved a low limit of detection (LoD) of 39 pg/mL, which was ~28 times lower than the LoD of conventional gold nanoparticles‐based CLFA using the same antibodies.
De‐politicization and corporate social responsibility: Empirical evidence from China
Authors: Qiu Yuan , Zhou Di
Published: March 2024

Given the lack of consensus in the existing studies about the impact of political resources on corporate social responsibility (CSR), we delve into this relationship and analyze the underlying mechanisms. To address the endogenous problems associated with political connection, this paper explores the consequence of de‐politicization and adopts an exogenous event in China. Results indicate that de‐politicization significantly enhances the CSR performance of firms. Specifically, de‐politicization can lead to a 1.474 increase in CSR scores. This finding is further supported by various robustness tests. Additionally, this paper probes into the reasons for the positive influence focusing on prerequisite and driving forces. For one thing, de‐politicization reduces the rent‐seeking expenses of politically connected firms, thereby granting these firms enough financial resources to improve their CSR performance. For another thing, CSR practices can convey positive information, improve financial performance, and enhance competitiveness, which motivates firms to actively participate in CSR issues to alleviate the adverse influence of losing political connection. This paper enriches the existing research on political connections and provides theoretical guidance and policy recommendations for improving CSR in developing countries.
The role of the cultural context in moderating the effect between the presence of women directors and firm environmental innovation
Authors: Traversi Marco , Bannò Mariasole , Filippi Emilia
Published: March 2024

This study examines the relationship between the presence of women in board of directors and environmental innovation and the moderating role of the cultural context in terms of gender inequality through the lens of Social Identity Theory. We measured the presence of women directors as board gender diversity, presence of only one woman director and presence of at least three women directors. We measured environmental innovation using environmental patents, also distinguishing among Air Pollution, Solid Waste, and Water Pollution. The sample consists of 2453 manufacturing firms operating in Spain, France, Italy, the Netherlands, and Germany. The Multiple Linear Regression Poisson models performed suggest that the presence of women directors do not affect or reduce environmental innovation, while gender inequality in the cultural context plays a negative moderating role. This study contributes to literature as it clarifies the previous contradictory results and investigates the moderating role of the cultural context.
An adaptive load‐matching method for the induction heating coil with DC power supply
Authors: Shami Umar Tabrez , Shami Tabrez Aslam
Published: March 2024

This article proposes a method to transfer maximum power from a power supply to an induction heating load by matching the dynamic resistance of the induction heating resonant circuit with the internal resistance of the power supply source. The method is to select a capacitor connected in parallel to the induction coil and tune the correct value of the inverter frequency to the induction heating circuit resonant frequency. The proposed method can be used for heating work loads with an energy‐saving purpose in induction heating applications. The switching frequency of the single‐phase full‐bridge inverter is variable so that the inverter frequency can be matched with the coil and parallel‐connected capacitor (RLC tank circuit) resonant frequencies. To demonstrate the feasibility of the load‐matching technique proposed, we experimented with two types of loads that were both stainless steel vessel containers with almost similar size and dimensions but different magnetic properties. We conducted experiments based on the proposed technique and obtained satisfactory results that supported our synopsis. The methods used to collect and analyze the data were carefully chosen and have been described in the methodology section of the research paper.
Distinct fibroblast subpopulations associated with bone, brain or intrapulmonary metastasis in advanced non‐small‐cell lung cancer
Authors: Xu Ke , Wang Hao , Zou Yu‐Xia , Zhang Huan‐Huan , Wang Yue‐Nan , Ren Xue‐Ru , Wang Han‐Qi , Xu Ye‐Hong , Li Jia‐Jun , Tang Hao , He Cheng , Wei Song , Tian Tian , Li Lai‐Lin , Zhou Hui , Xu Lin‐Juan , Fang Jing‐Wen , Guo Chuang , Yang Jia‐Xuan , Zhou You‐Yang , Zhang Zhi‐Hong , Pan Yue‐Yin
Published: March 2024

Background

Bone or brain metastases may develop in 20–40% of individuals with late‐stage non‐small‐cell lung cancer (NSCLC), resulting in a median overall survival of only 4–6 months. However, the primary lung cancer tissue's distinctions between bone, brain and intrapulmonary metastases of NSCLC at the single‐cell level have not been underexplored.

Methods

We conducted a comprehensive analysis of 14 tissue biopsy samples obtained from treatment‐naïve advanced NSCLC patients with bone (n = 4), brain (n = 6) or intrapulmonary (n = 4) metastasis using single‐cell sequencing originating from the lungs. Following quality control and the removal of doublets, a total of 80 084 cells were successfully captured.

Results

The most significant inter‐group differences were observed in the fraction and function of fibroblasts. We identified three distinct cancer‐associated fibroblast (CAF) subpopulations: myofibroblastic CAF (myCAF), inflammatory CAF (iCAF) and antigen‐presenting CAF (apCAF). Notably, apCAF was prevalent in NSCLC with bone metastasis, while iCAF dominated in NSCLC with brain metastasis. Intercellular signalling network analysis revealed that apCAF may play a role in bone metastasis by activating signalling pathways associated with cancer stemness, such as SPP1‐CD44 and SPP1‐PTGER4. Conversely, iCAF was found to promote brain metastasis by activating invasion and metastasis‐related molecules, such as MET hepatocyte growth factor. Furthermore, the interaction between CAFs and tumour cells influenced T‐cell exhaustion and signalling pathways within the tumour microenvironment.

Conclusions

This study unveils the direct interplay between tumour cells and CAFs in NSCLC with bone or brain metastasis and identifies potential therapeutic targets for inhibiting metastasis by disrupting these critical cell–cell interactions.
RETRACTED: Multifactor optimized mobile sink data collection framework for hybrid wireless sensor network‐long term evolution‐assisted Internet of Things network
Authors: Mohan Saranga , Panda Sunita
Published: March 2024

The wireless sensor network‐assisted Internet of Things convergence has diverse applications. In most applications, the sensors are battery‐powered, and it is necessary to use the energy judiciously to extend their functional duration effectively. Mobile sinks‐based data collection is used to extend the lifespan of these networks. However, providing a scalable and effective solution with consideration for multicriteria factors of quality of service and lifetime maximization is still a challenge. This work addresses this problem with a hybrid wireless sensor network with long‐term evolution‐assisted architecture. The issue of maximizing lifetime and providing multifactor quality of service is solved as a two‐stage optimization problem involving clustering and data collection path scheduling. Hybrid meta‐heuristics is used to solve the clustering optimization problem. Minimal Steiner tree‐based graph theory is applied to schedule the data collection path for sinks. Unlike existing works, the lifetime maximization without QoS degradation is addressed by hybridizing multiple approaches of multicriteria optimal clustering, optimal path scheduling, and network adaptive traffic class‐based data scheduling. This hybridization extends the network's lifespan and improves the QoS regarding packet transmission within the proposed solution. Through simulation analysis, the introduced approach yields a noteworthy increase of at least 6% and reduces packet delivery delay by 26% compared with existing methodologies.
Navigating University Openness in Research Policy Inconsistent with Indigenous Data Sovereignty: A Case Analysis
Authors: Wick Molly , Erickson Deanna , Hoffman Joel , Johnson Lucinda , Angradi Ted
Published: March 2024

Indigenous nations and communities in the United States have rights as sovereign governments to exercise control and ownership over all data and information generated by or from the tribes, tribal members, or tribal resources. Indigenous nations exercise these rights through data ownership policies established in response to unethical research practices in research involving Indigenous communities. Most universities in the U.S. have “openness in research” policies to ensure academic freedom to publish freely, exercised by retaining university control of data. Here, we describe our study of cultural ecosystem services in the St. Louis River estuary region (Nagaajiwanaang in the language Ojibwemowin) in Duluth, Minnesota, and Superior, Wisconsin, U.S., an area that includes portions of the 1854 and 1842 Ceded Territories and reservation lands of a local band of Ojibwe (hereafter referred to as “the Band”). In this university‐led, Band‐supported study, both the university and the Band sought ownership of data collected based on their respective policies, resulting in a research delay of nearly a year. We found that open research policies that do not consider Indigenous sovereignty can hamper collaboration between university researchers and tribal nations, even when there is broad agreement on research goals and objectives. University open research policies that do not explicitly address Indigenous sovereignty fall short of the open research principles they intend to support and should be revised. Formal adoption of principles for ethical research with sovereign tribal governments by universities is needed to improve coordination and trust among university and tribal researchers and members.
Rapid Review of Therapy Protocols for Public Health Emergencies
Authors: Gordon Bruce G. , Lowe Abigail E. , Kratochvil Christopher J.
Published: March 2024

How research during a public health emergency is conducted is recognized as essential to the public health response to that emergency. Such research needs to undergo substantive and meaningful ethical review in a timely manner. Rapid ethical review may be accomplished through a number of mechanisms, including use of local rapid‐response institutional review boards (IRBs). We describe use of such a model in the setting of the 2014 Ebola virus disease epidemic and the Rapid‐Response IRB's subsequent transition to a multisite single IRB model during the current Covid‐19 pandemic. The rapid‐response review model is characterized by a small IRB with extensive use of alternate members with specific expertise and by close collaboration with the investigator in an iterative process.
Elevated interleukin‐6 in women with binge‐eating spectrum disorders
Authors: Campanile Alexis A. , Eckel Lisa A. , Keel Pamela K.
Published: March 2024

Objective

Binge‐eating spectrum disorders (BESD) involve large eating episodes accompanied by a sense of loss of control that occur in individuals with body weights spanning the full body mass index (BMI) spectrum. While research links BESD with peripheral inflammation, this literature is limited by underpowered studies and a failure to control for confounding variables that could promote inflammation independent of dysregulated eating, specifically elevated body adiposity and depression. Our study examined plasma interleukin‐6 (IL‐6), a marker of peripheral inflammation, in a sample of women with BESD and non‐eating disorder controls, controlling for BMI, body adiposity, and depression.

Method

Participants (N = 94) included women with BESD (n = 73) or no eating disorder (n = 21) who completed structured clinical interviews in a larger study, selected to represent BMI categories ranging from underweight to obese in both groups. Fasting blood samples were processed for plasma IL‐6 concentration via enzyme‐linked immunosorbent assays. In addition to assessing group differences in plasma IL‐6, exploratory analyses examined associations between IL‐6 and biological and clinical markers of BESD.

Results

Significantly elevated plasma IL‐6 was found in women with BESD, relative to controls, that was not accounted for by BMI, adiposity, or depression. Plasma IL‐6 was positively correlated with plasma leptin concentration, clinical assessments of eating disorder severity, and participants' largest self‐reported eating episode.

Discussion

Peripheral inflammation is specifically linked to presence of dysregulated eating independently from weight, adiposity, and depression in BESD. Future research should probe the potential role of neuroinflammation in altered eating behavior.

Public Significance

This study provides the first demonstration that inflammation, characterized by elevated plasma IL‐6 concentration, is uniquely associated with dysregulated eating in a transdiagnostic group of individuals with BESD. A better understanding of whether immune factors contribute to dysregulated eating could help identify novel biological targets for intervention.
Deep‐sea meiofaunal communities in the south‐eastern Levantine basin and their shaping factors – Morphological‐taxonomy‐free metabarcoding approach
Authors: Harbuzov Zoya , Farberova Valeria , Tom Moshe , Lubinevsky Hadas
Published: March 2024

The <3% dissimilar Amplicon Sequence Variant (ASV) clusters of the 18S‐V4 barcode were used as species‐proxies for the evaluation of ASV composition and ASV diversity indices characterizing the hitherto poorly investigated meiofaunal communities of the south‐eastern part of the Levantine basin. Accompanied by abundance measurements, the relationships of these characteristics with sedimentary and bottom terrain parameters were interpreted. The construction of community composition profiles, namely ASVs' list and their estimated abundances, was done using our previously established procedure (Harbuzov et al., 2022, Marine Genomics 65, 100980), combining metabarcoding with sample reads normalization by the abundance of hard‐bodied meiofaunal taxa. The study province included the 54–1418 m depth range, across vertical sub‐bottom horizons ranging 0–17 cm. Oxygen, hydrogen sulfide and methane concentrations in the pore water, as well as sediment grain size spectra and sedimentary protein and carbohydrate levels, were measured, followed by an evaluation of their involvement in the shaping of the meiofaunal communities' characteristics. Community composition was generally site‐and‐horizon dependent and its abundance decreased with increasing bottom depth and across sub‐bottom horizons, typical to benthic habitats which are nourished by organic carbon from the euphotic zone. The relatively sharply inclined continental slope bottom located in the northern part of the Israeli coast was an exception. Its meiofaunal community characteristics were speculated to be affected by intensive sediment mixing and lateral transport of food from the shelf, in addition to the effect of the euphotic zone‐originated food sources.
Identification of low levels of neutral and functional genetic diversity in South African bontebok (Damaliscus pygargus pygargus)
Authors: Mogakala Martin Ratanang , Smith Rae Marvin , Mavimbela Caswell , Dalton Desiré Lee
Published: March 2024

Bontebok (Damaliscus pygargus pygargus) and blesbok (D. p. phillipsi) are classified as separate sub‐species. The blesbok has a widespread distribution throughout South Africa and is listed as least concern by the International Union for Conservation of Nature (IUCN) Red List of Threatened Species. Bontebok on the other hand is endemic within the Cape Floristic Region of the Western Cape in South Africa and has been listed as near‐threatened species on the IUCN Red List of Threatened Species. Bontebok populations experienced a severe bottleneck and were brought back from the brink of extinction in the 1830s. Currently, the subspecies is threatened by hybridisation with blesbok resulting in fertile offspring. To date, molecular investigations using neutral markers have determined that genetic diversity in pure South African bontebok was significantly lower than in pure blesbok. Here, we investigated genetic diversity in bontebok, blesbok and hybrid individuals using microsatellites and an adaptive marker (toll‐like receptor two (TLR2)). The study of single nucleotide polymorphisms (SNPs) revealed five mutations in TLR2 in different individuals and subspecies of D. pygargus. This included three non‐synonymous and two synonymous mutations. The three amino acid substitution mutations were predicted to have no effect on protein function. Two of the five mutations, one of which resulted in an amino acid substitution, were not present in bontebok. The other three mutations were present to varying frequencies in the three groups. We confirm low adaptive and neutral diversity in bontebok. These mutations provide insights into the genetic diversity and relationships among the two sub‐species of D. pygargus and may have implications for their conservation and management.
Theoretical Investigation of Structural, Electronic and Optical Properties of Cs3MoO4(HCO3) with NLO Active Functional Units
Authors: Hu Jinyu , Huang Yinsheng , Zhu Hui , Zhao Huiyan , He Chao , Wang Xihu
Published: March 2024

Employing functional building units with microscopic second‐order NLO response has been proposed to explore high performance NLO materials. Herein, structural, electronic and optical properties of non‐centrosymmetric molybdenyl carbonate Cs3MoO4(HCO3) with NLO active functional units have been examined based on density functional theory. Theoretical results are consistent with experimentally mentioned data, confirming the reliable method. Detailed geometric structure, electronic attributes, linear optical properties, and nonlinear optical properties of Cs3MoO4(HCO3) are provided. Analysis of structures, compositions of bands and plots of charge density suggest that asymmetric functional building units [MoO4] and [HCO3] exhibit varying degrees of second‐order Jahn‐Teller distortions, and therefore have a significant impact on the electronic structure and optical properties of Cs3MoO4(HCO3). Maximum absolute value of SHG coefficients at 1064 nm is 0.671 pm/V for d15, which is nearly twice as much as that of KDP. Further researches are needed in future to validate and enhance optical anisotropy characteristic of Cs3MoO4(HCO3) for satisfying the phase matching conditions. Analysis results indicate that microscopic origins of SHG response in Cs3MoO4(HCO3) are complicated, such as geometric environment, induced polar asymmetric functional building units, and electronic properties. Continuous research on structure‐property relationship of NLO materials is needed for exploring more competitive NLO materials.
Photoinduced Generation of Active Intermediates from Unmodified 1,3‐Dicarbonyl Compounds for Organic Transformations
Authors: Li Hao‐Yuan , Niu Xiaoying , Yang Xiu‐Long
Published: March 2024

Photocatalysis utilizes light as the initial driving force for chemical reactions, enabling reactions with high energy barriers in traditionally thermal chemistry to proceed under mild conditions. 1,3‐Dicarbonyl compounds occur as important active molecules in nature and are intermediates in pharmaceutical syntheses. In recent years, there have been numerous studies of these compounds, and it is common practice to pre‐modify them before the reaction, which is, however, unfavorable for the atom economy of the process. This paper provides a comprehensive review of the latest advancements in the site‐specific activation of unmodified 1,3‐dicarbonyl compounds by photoinduction. The focus is on elucidating the mechanisms of these reactions to provide insights and directions for future research in designing novel reactions.
Synergistic ligand mediated anion exchange of CsPbI3 quantum dots for high performance white LED and anti‐counterfeiting
Authors: Chang Yajing , Tong Guoqing , Liu Liping , Li Junchun , Yang Jingting , Chen Zongsheng , Li Zhigang , Zhang Shaobo , Zhou Ru , Jiang Yang
Published: March 2024

Anion exchange is an effective strategy to regulate the composition and optoelectronic properties of perovskite quantum dots (PQDs). Though promising, it is more desirable to synthesize PQDs to avoid the decrease of photoluminescence quantum yield (PLQY). Herein, we developed a ligand mediated anion exchange approach, in which the phase transition from CsPbBr3 QDs to CsPbI3 QDs was observed with the introduction of N‐Acetyl‐l‐cysteine (NAC) and 1,3‐dimethylimidazolium iodide (DMII) aqueous solution in CsPbBr3 QDs solution. NAC is expected to create more halogen vacancies in CsPbBr3 QDs, which provides sufficient adsorption sites for I− ions, resulting in accelerating the anion exchange rate in the process of DMII incorporation. Benefiting from the synergistic ligand mediated anion exchange, high PLQY of 97% and remarkable stability of CsPbI3 QDs are obtained. Furthermore, a white light‐emitting diode (WLED) with a lumen efficiency (LE) of 116.82 lm/W is constructed, showing remarkable stability under continuous operation.

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Momentary physiological indices related to eating disorders: A systematic and methodological review
Authors: Ralph‐Nearman Christina , Osborn Kimberly D. , Chang Rose Seoyoung , Barber Kathryn E.
Published: March 2024

Eating disorders (ED) are serious psychiatric illnesses, with no everyday support to intervene on the high rates of relapse. Understanding physiological indices that can be measured by wearable sensor technologies may provide new momentary interventions for individuals with ED. This systematic review, searching large databases, synthesises studies investigating peripheral physiological (PP) indices commonly included in wearable wristbands (heart rate [HR], heart rate variability [HRV], electrodermal activity [EDA], peripheral skin temperature [PST], and acceleration) in ED. Inclusion criteria included: (a) full peer‐reviewed empirical articles in English; (b) human participants with active ED; and (c) containing one of five wearable physiological measures. Kmet risk of bias was assessed. Ninety‐four studies were included (Anorexia nervosa [AN; N = 4418], bulimia nervosa [BN; N = 916], binge eating disorder [BED; N = 1604], other specified feeding and eating disorders [OSFED; N = 424], and transdiagnostic [N = 47]). Participants with AN displayed lower HR and EDA and higher HRV compared to healthy individuals. Those with BN showed higher HRV, and lower EDA and PST compared to healthy individuals. Other ED and Transdiagnostic samples showed mixed results. PP differences are indicated through various assessments in ED, which may suggest diagnostic associations, although more studies are needed to validate observed patterns. Results suggest important therapeutic potential for PP in ED, and larger studies including diverse participants and diagnostic groups are needed to fully uncover their role in ED.
The influence of methylammonium iodide concentration on the properties of perovskite solar cells
Authors: Elangovan Naveen Kumar , Kannadasan Raju , Savio Max F. , Vinson Joshua S. , Faheem Muhammad
Published: March 2024

This study focuses on improving the quality of MAPbI3‐based perovskite films by adjusting the concentration ratios of the methylammonium iodide (MAI) precursor using a two‐step sequential deposition method. The primary objective is to explore how altering the MAI concentration influences the microstrain, dislocation density, perovskite film quality, and their subsequent impact on the performance of perovskite solar cells. The examined device configuration CdS/MAPbI3/Spiro‐OMeTAD demonstrates impressive power conversion efficiency of 12.05%, Voc of 1.02 V, Jsc of 16.2 mA cm−2, and fill factor of 0.73. X‐ray diffraction and scanning electron microscope analyses show improved crystal quality and surface characteristics with reduced microstrain, dislocation density, larger crystal grains, and minimized pinholes. The investigation of MAPbI3's optical and electrical characteristics provides in‐depth insights, facilitating the optimization of MAI precursor concentrations for improved perovskite film development and enhanced solar cell performance.
One‐step preparation of binder‐free nickel‐containing graphene foam electrode for supercapacitors
Authors: Siyahjani Gultekin Sirin , Karimi Aziz Ahmad , Can Mustafa , Demic Serafettin
Published: March 2024

In this study, a nickel hydroxide (Ni(OH)2)‐modified reduced graphene oxide (rGO) foam electrode for supercapacitor application is presented. The electrode was prepared without using a binder through a one‐step process with three different ratios (NirGO1, NirGO2, and NirGo3). To compare the supercapacitor performance of the obtained graphene foam electrodes, rGO and rGO:carbon black (CB) standard electrodes with PVDF‐HFP binder were also prepared. All electrodes were then characterized structurally (XPS, EDS, RAMAN, XRD, and FT‐IR) and morphologically (SEM). Structural characterizations demonstrated that the Ni‐containing electrodes were in α‐Ni(OH)2:rGO structure. In addition, NirGO3 exhibited a specific capacitance of 800 F g−1 which is relatively the highest performance between the foam electrodes, while rGO:CB presented a specific capacitance of 900 F g−1. The results demonstrated that with the method proposed for electrode development, it was possible to obtain comparable results with the standard electrode rGO:CB.
A self‐assembled, genetically engineered, irradiated tumor cell debris vaccine
Authors: Sun Yajie , Hu Yan , Geng Yuanyuan , Wan Chao , Liu Yang , Liao Yifei , Shi Xiujuan , Lovell Jonathan F. , Yang Kunyu , Jin Honglin
Published: March 2024

Vaccine‐based therapeutics for cancers face several challenges including lack of immunogenicity and tumor escape pathways for single antigen targets. It has been reported that radiotherapy has an in situ vaccine effect that provides tumor antigens following irradiation, helping to activate antigen‐presenting cells (APCs). Herein, a new vaccine approach is developed by combining genetically engineered irradiated tumor cell debris (RTD) and hyaluronic acid (HA), termed HA@RTD. A cancer cell line is developed that overexpresses granulocyte‐macrophage colony‐stimulating factor (GM‐CSF). A hydrogel was developed by covalent conjugation of HA with RTD proteins that acted as a potent vaccine system, the effects which were probed with T cell receptor sequencing. The engineered vaccine activated antitumor immunity responses and prevented tumor growth in mice even with a single immunization. HA@RTD vaccine efficacy was also assessed in therapeutic settings with established tumors and in combination with immune checkpoint blockade.
Human‐based new approach methodologies to accelerate advances in nutrition research
Authors: Cassotta Manuela , Cianciosi Danila , Elexpuru‐Zabaleta Maria , Pascual Inaki Elio , Cano Sandra Sumalla , Giampieri Francesca , Battino Maurizio
Published: March 2024

Much of nutrition research has been conventionally based on the use of simplistic in vitro systems or animal models, which have been extensively employed in an effort to better understand the relationships between diet and complex diseases as well as to evaluate food safety. Although these models have undeniably contributed to increase our mechanistic understanding of basic biological processes, they do not adequately model complex human physiopathological phenomena, creating concerns about the translatability to humans. During the last decade, extraordinary advancement in stem cell culturing, three‐dimensional cell cultures, sequencing technologies, and computer science has occurred, which has originated a wealth of novel human‐based and more physiologically relevant tools. These tools, also known as “new approach methodologies,” which comprise patient‐derived organoids, organs‐on‐chip, multi‐omics approach, along with computational models and analysis, represent innovative and exciting tools to forward nutrition research from a human‐biology‐oriented perspective. After considering some shortcomings of conventional in vitro and vivo approaches, here we describe the main novel available and emerging tools that are appropriate for designing a more human‐relevant nutrition research. Our aim is to encourage discussion on the opportunity to explore innovative paths in nutrition research and to promote a paradigm‐change toward a more human biology‐focused approach to better understand human nutritional pathophysiology, to evaluate novel food products, and to develop more effective targeted preventive or therapeutic strategies while helping in reducing the number and replacing animals employed in nutrition research.
Pomegranate peel: Bioactivities as antimicrobial and cytotoxic agents
Authors: Abu‐Niaaj Lubna F. , Al‐Daghistani Hala I. , Katampe Ibrahim , Abu‐Irmaileh Bashaer , Bustanji Yasser K.
Published: March 2024

This is a comparative study to evaluate the effectiveness of six pomegranate peel extracts (PPEs) as antibacterial and antiproliferative agents. The Six PPEs were prepared using four solvent systems and each filtrate was concentrated to a gummy material to be used in the evaluation. The well‐diffusion method was used to evaluate their antimicrobial activity against bacteria typically associated with food spoilage: Escherichia coli, Pseudomonas aeruginosa, Salmonella typhimurium, Listeria monocytogenes, Staphylococcus epidermidis, Staphylococcus aureus, and three Bacillus species. The 3‐(4,5‐dimethylthiazol‐2‐yl)‐5‐(3‐carboxymethoxyphenyl)‐2‐(4‐sulfophenyl)‐2H‐tetrazolium (MTT) was used to evaluate the cytotoxicity against colorectal carcinoma cells (HCT116), prostate adenocarcinoma (PC3), ovarian cancer cells (SKOV‐3), and fibroblasts (MRC‐5). The antioxidant evaluation was done using the 2,2‐diphenyl‐1‐picrylhydrazyl‐hydrate (DPPH) assay. The pH of the water‐containing extracts was acidic and almost the same over 6 weeks. The six PPEs inhibited the bacterial growth in a comparable level to standard antibiotics. The effectiveness of each extract was dependent on the bacterial strain, and the Listeria showed a remarkable inhibition when exposed to the aqueous extract prepared at room temperature (RT). The aqueous (RT) and methanol PPEs had a significant antioxidant scavenging capability and a remarkable cytotoxic activity against the PC3 with half maximal inhibitory concentration (IC50) of 0.1 μg/mL. The boiled aqueous extract exhibited antiproliferative activity against HCT116 with an IC50 of 21.45 μg/mL. The effect on SKOV‐3 and fibroblasts was insignificant. With the exception of butanol, the antioxidant screening shows an inverse correlation between the polarity of the extraction solvent and the IC50 exhibited by the PPEs. The variation in the effectiveness of PPEs is suggested to be due to variable soluble bioactive compounds that may interact differently with different cells, though water‐containing extracts are promising antibacterial agents. The findings clearly show that pomegranate peel possessed the potential to be an eco‐friendly novel source for natural compounds that can be implemented in the food industry as a natural antimicrobial and natural food additive to prevent foodborne illnesses.
Oily fish reduces the risk of acne by lowering fasting insulin levels: A Mendelian randomization study
Authors: Cheng Ting , Yu Dongdong , Liu Bingqing , Qiu Xingying , Tang Qi , Li Geng , Zhou Li , Wen Zehuai
Published: March 2024

Meat intake, particularly from oily fish, has been associated with various chronic diseases. However, its relationship with acne has always been controversial. Therefore, we have adopted Mendelian randomization (MR) analysis to investigate the causal relationship between different types of meat intake and acne. The exposure and outcome datasets for this study were obtained from the Integrative Epidemiology Unit (IEU) Open GWAS project. Seven datasets on meat intake were included, which consisted of non‐oily fish, oily fish, lamb/mutton, poultry, pork, beef, and processed meat. The main methods used for MR analysis were inverse variance weighted, weighted median, and MR‐egger. To ensure the accuracy of the results, heterogeneity, pleiotropy, and Mendelian randomization pleiotropy residual sum and outlier (MR‐PRESSO) analyses were conducted. Additionally, an analysis of four risk factors (fasting insulin, insulin resistance, total testosterone level, and estradiol level) was performed to investigate the underlying mechanisms linking statistically significant meat intake to acne. Oily fish intake was found to be a protective factor for acne (OR: 0.22, 95% CI: 0.10–0.49, p < .001), and it was also observed that oily fish intake can reduce the level of fasting insulin by the IVW method (OR: 0.89, 95% CI: 0.81–0.98, p = .02). No causal relationship was identified between other types of meat intake and acne. The intake of oily fish reduces the risk of acne by lowering fasting insulin levels.
Earth fissure susceptibility mapping: Application of random subspace‐based novel ensemble approaches
Authors: Santosh M. , Arabameri Alireza , Arora Aman
Published: March 2024

The development of earth fissures, which are linear fractures with openings or offsets on the land surface, can severely affect landforms, especially in urban areas, in the form of earthquakes causing major concern on human lives as well as damage to infrastructures. Thus, an early warning map for lands susceptible to earth fissures can better equip planners for formulating mitigation strategies. In this study, we focus on the Damghan Plain in Iran for preparation of earth fissure susceptible maps using several topographical, hydrological, geological and environmental conditioning factors. In order to train these conditioning factors and preparation of earth fissure susceptibility maps, 124‐earth fissure field‐based samples, for training and validation purposes, were used by random subspace (RS) model based on four other machine learning ensemble methods such as RS‐Naïve‐Bayes Tree (NBTree), RS‐alternating decision tree (ADTree), RS‐Fisher's Linear Discriminant Function (FLDA) and RS‐Logistic model tree (LMT). From the validation technique, the receiver operating characteristic (ROC) curve performance test demonstrates that the RS‐NBTree model was the best suited with area under curve (AUC) = 0.974 followed by RS‐ADTree (AUC = 0.966), RS‐LMT (AUC = 0.954), RS‐FLDA (AUC = 0.948) and RS (AUC = 0.923). The results from our study can be useful for environmental management and risk reduction.
Diagnostic value of water swallow test for dysphagia in patients with head and neck cancer: A systematic review and meta‐analysis
Authors: Zhang Yu , Wang Yiqiao , Zhu Yu , Wan Hongwei
Published: March 2024

The diagnostic efficacy of the water swallow test (WST) is relatively robust for patients with neurogenic dysphagia; however, its diagnostic performance in identifying dysphagia among patients with HNC varies across studies. Our study aims to assess the diagnostic value of the WST for detecting dysphagia in patients with HNC. Systematic retrieval of studies on the use of WST for screening dysphagia in patients with HNC from databases up to August 1, 2023. Quality assessment of the included studies was performed using the Quality Assessment of Diagnostic Accuracy Studies‐2 (QUADAS‐2) tool. Calculate the pooled sensitivity, specificity, positive likelihood ratio (LR), negative LR, diagnostic odds ratio (DOR), and area under the receiver operating characteristic curve (AUC) to evaluate the screening ability of WST for dysphagia. A total of seven articles, encompassing eight study groups, were included, involving the analysis of 691 patients. The meta‐analysis results demonstrate that the WST has a combined sensitivity, specificity, positive LR, negative LR, DOR, and AUC for diagnosing dysphagia in patients with HNC of 0.82 (95% CI [0.64, 0.92]), 0.79 (95% CI [0.70, 0.86]), 4.00 (95% CI [2.51, 6.36]), 0.22 (95% CI [0.10, 0.50]), 17.94 (95% CI [5.56, 57.92]), and 0.86 (95% CI [0.83, 0.89]), respectively. Significant heterogeneity was observed among the included studies. Meta‐regression analysis showed that the pooled sensitivity of tumor sites and treatment was closely related, while the pooled specificity of treatment and version was closely related. The subgroup analysis showed that the WST's pooled sensitivity for diagnosing dysphagia in patients with nasopharyngeal cancer was 0.40 (95% CI [0.26, 0.56]), with an AUC of 0.50, lower than in other HNC sites. The WST performed better in surgical patients than in those undergoing radiotherapy (RT) or chemoradiotherapy (CRT), with lower sensitivity, specificity, and AUC values of 0.49 (95% CI [0.36, 0.61]), 0.66 (95% CI [0.59, 0.72]), and 0.64, respectively, for RT or CRT patients. The modified WST version showed different specificity values of 0.82 (95% CI [0.75, 0.87]), compared to the regular version of 0.68 (95% CI [0.61, 0.74]). Additionally, Deek's test indicated the absence of publication bias in this study (p = 0.32). The WST demonstrates favorable sensitivity and specificity in detecting dysphagia among patients with HNC. However, the diagnostic value may vary depending on factors such as tumor sites, treatment, and the specific version of the WST used.
Characterization of the tumor microenvironment in the mouse oral cancer (MOC1) model after orthotopic implantation in the buccal mucosa
Authors: Kansal Vikash , Kinney Brendan L. C. , Schmitt Nicole C.
Published: March 2024

Background

Preclinical models are invaluable for studies of head and neck cancer. There is growing interest in the use of orthotopic syngeneic models, wherein cell lines are injected into the oral cavity of immunocompetent mice. In this brief report, we describe injection of mouse oral cancer 1 (MOC1) cells into the buccal mucosa and illustrate the tumor growth pattern, lymph node response, and changes in the tumor immune microenvironment over time.

Methods

MOC1 cells were injected into the buccal mucosa of C57BL6 mice. Animals were sacrificed at 7, 14, 21, or 27 days. Tumors and lymph nodes were analyzed by flow cytometry.

Results

All mice developed tumors by day 7 and required euthanasia for tumor burden and/or weight loss by day 27. Lymph node mapping showed that these tumors reliably drain to a submandibular lymph node. The proportion of intratumoral CD8+ T cells decreased over time, while neutrophilic myeloid cells increased dramatically. Growth of orthotopic MOC2 and MOC22 also showed similar growth patterns versus published data in flank tumors.

Conclusions

When used orthotopically in the buccal mucosa, the MOC1 model induces a robust lymph node response and distinct pattern of immune cell infiltration, with peak immune infiltration by day 14.
Organocatalytic Enantioselective Synthesis of Chiral Spiro‐indoline‐pyrazolones through a formal [4+1] Annulation Reaction of 4‐Bromopyrazolones and aza‐ortho‐Quinone Methides
Authors: Carceller‐Ferrer Laura , Rodríguez‐Arias Carlos , Montesinos‐Magraner Marc , Sanz‐Marco Amparo , Hostalet‐Romero Judit , Blay Gonzalo , Pedro José R. , Vila Carlos
Published: March 2024

In this communication, a straighforward asymmetric synthesis of spiro‐indoline‐pyrazolone compounds is described. This methodology consists in a formal [4+1] cycloaddition reaction of 4‐bromopyrazolones and aza‐ortho‐quinone methides generated in situ catalyzed by a bisquinine‐derived squaramide in CHCl3 under basic conditions. A variety of chiral spirocyclic compounds bearing a pyrazolone and an indoline moieties were obtained in moderate to good yields (up to 68 %) and moderate to excellent enantioselectivities (up to 93 % ee).