bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pre‐intercalation Strategies to Layered Vanadium‐based Electrode Materials for Aqueous Zinc Batteries
Authors: Liu Yi , Liu Ying , Wu Xiang 
Published: December 2022

AbstractAqueous zinc‐ion batteries (AZIBs) have become the most potential alternatives to lithium‐ion batteries (LIBs) due to their intrinsic safety, convenient operation, and environmentally friendly characteristics. Layered vanadium‐based compounds with two‐dimensional ion diffusion channels attract extensive attentions as cathodes for AZIBs. However, they usually suffer from dissolution and large volume change during charging/discharging. Recently, the pre‐insertion strategy of guest ions or molecules into the host has provided an effective solution. In this review, we first introduce the application and research trends of vanadium‐based cathode materials for AZIBs. Then, the interlayer engineering of the pre‐intercalation strategy is emphatically summarized. Finally, we propose future challenges for developing high‐performance layered vanadium‐based electrode materials.
Lethal effects of mitochondria via microfluidics
Authors: Kim Hyueyun , Ahn Young‐Ho , Moon Chang Mo , Kang Jihee Lee , Woo Minna , Kim Minsuk 
Published: December 2022

AbstractTumor cells can respond to therapeutic agents by morphologic alternations including formation of tunneling nanotubes. Using tomographic microscope, which can detect the internal structure of cells, we found that mitochondria within breast tumor cells migrate to an adjacent tumor cell through a tunneling nanotube. To investigate the relationship between mitochondria and tunneling nanotubes, mitochondria were passed through a microfluidic device that mimick tunneling nanotubes. Mitochondria, through the microfluidic device, released endonuclease G (Endo G) into adjacent tumor cells, which we referred to herein as unsealed mitochondria. Although unsealed mitochondria did not induce cell death by themselves, they induced apoptosis of tumor cells in response to caspase‐3. Importantly, Endo G‐depleted mitochondria were ineffective as lethal agents. Moreover, unsealed mitochondria had synergistic apoptotic effects with doxorubicin in further increasing tumor cell death. Thus, we show that the mitochondria of microfluidics can provide novel strategies toward tumor cell death.
Experimental validation of in silico analysis estimated the reverse effect of upregulated hsa‐miR‐106a‐5p and hsa‐miR‐223‐3p on SLC4A4 gene expression in Iranian patients with colorectal adenocarcinoma by RT‐qPCR
Authors: Ranjbaran Javad , Safarpour Hossein , Nomiri Samira , Tavakoli Tahmine , Rezaei Zohreh , Salmani Fatemeh , Larki Pegah , Chamani Elham 
Published: December 2022

AbstractBackground and MethodsColorectal cancer (CRC) is considered one of the most common malignancies worldwide. The diagnosis and prognosis of the patients are very poor. In this study, we used in‐silico analysis and experimental techniques to investigate novel co‐expression genes and their associated miRNA networks in CRC. For this purpose, we conducted a comprehensive transcriptome analysis using online bulk and single‐cell RNA‐seq datasets. We then validated the results on tissue samples from cancerous and adjacent normal tissues from CRC patients by RT‐qPCR.ResultsUsing a weighted gene co‐expression network algorithm, we identified SLC4A4 as a significantly downregulated hub gene in the CRC. The single‐cell analysis indicated that the expression level of SLC4A4 in Paneth cells is higher than in other cell populations. Further computational analysis suggested hsa‐miR‐223‐3p and hsa‐miR‐106a‐5p as two specific hub‐miRNAs for the SLC4A4 gene. RT‐qPCR analysis showed a 2.60‐fold downregulation of SLC4A4. Moreover, hsa‐miR‐223‐3p and hsa‐miR‐106a‐5p showed an increased expression level of 5.58‐fold and 9.66‐fold in CRC samples, respectively. Based on the marginal model analysis, by increasing the expression of hsa‐miR‐106a‐5p, the average expression of the SLC4A4 gene significantly decreased by 103 units. Furthermore, ROC curves analysis indicated statistically significant for diagnostic ability of SLC4A4 (AUC: 0.94, Sensitivity: 95.5%, Specificity: 95.5%) and hsa‐miR‐106a‐5p (AUC: 0.72, Sensitivity: 72.7%, Specificity: 100%).ConclusionThis study provides a framework of co‐expression gene modules and miRNAs of CRC, which identifies some important biomarkers for CRC pathogenicity and diagnosis. Further experimental evidence will be required to support this study and validate the precise molecular pathways.
Similar efficacy and safety between lenvatinib versus atezolizumab plus bevacizumab as the first‐line treatment for unresectable hepatocellular carcinoma
Authors: Su Chung‐Wei , Teng Wei , Lin Po‐Ting , Jeng Wen‐Juei , Chen Kuei‐An , Hsieh Yi‐Chung , Chen Wei‐Ting , Ho Ming‐Mo , Hsieh Chia‐Hsun , Wang Ching‐Ting , Chai Pei‐Mei , Lin Chen‐Chun , Lin Chun‐Yen , Lin Shi‐Ming 
Published: December 2022

AbstractBackgroundLenvatinib and atezolizumab plus bevacizumab(A + B) have been used for unresectable hepatocellular carcinoma (HCC) as first‐line therapy. Real‐world studies comparison of efficacy and safety in these two regimens are limited, we therefore conduct this study to investigate these issues.MethodsWe retrospectively reviewed patients received lenvatinib (n = 46) and A + B (n = 46) as first‐line systemic therapy for unresectable HCC in a tertiary medical center. Objective response rate (ORR), progression free survival (PFS), and overall survival (OS) were evaluated according to modified Response Evaluation Criteria in Solid Tumors (mRECIST). Inverse probability weighting (IPW) was performed for baseline clinical features balance.ResultsA total of 92 patients with median age of 63.8 year‐old, 78.3% male, 85.9% viral hepatitis infected, 67.4% BCLC stage C were enrolled. The median treatment and follow‐up duration were 4.7 months and 9.4 months, respectively. There was no significant difference in ORR (26.1% vs. 41.3%, p = 0.1226), PFS (5.9 vs. 5.3 months, p = 0.4066), and OS (not reached vs. not reached, p = 0.7128) between the lenvatinib and A + B groups. After IPW, the results of survival and response rate were also compared. Subgroup analysis suggested that using lenvatinib was not inferior to A + B in regards of PFS, including those with elder, Child‐Pugh class B, beyond up‐to‐seven, or portal vein invasion VP4 patients. Among the lenvatinib treated patients, multivariate analysis showed patients elder than 65‐year‐old was an independent predictor associated with shorter PFS (adjust HR: 2.085[0.914–4.753], p = 0.0213). The incidence rates of adverse events were similar between two groups (76 vs. 63%, p = 0.1740). Both of two regimens had similarly few impact on liver function by comparison of baseline, third month, and sixth month albumin‐bilirubin index and Child‐Pugh score.ConclusionsThe efficacy and safety of lenvatinib are similar to A + B as a first‐line systemic therapy for unresectable HCC.
Air‐condition process for scalable fabrication of CdS/ZnS 1D/2D heterojunctions toward efficient and stable photocatalytic hydrogen production
Authors: Zhang Dongdong , Teng Jie , Yang Hongli , Fang Zhi , Song Kai , Wang Lin , Hou Huilin , Lu Xianlu , Bowen Chris R. , Yang Weiyou 
Published: December 2022

AbstractWe report the scalable fabrication of CdS/ZnS 1D/2D heterojunctions under ambient air conditions (i.e., room temperature and atmospheric pressure) in which ZnS nanoparticles are anchored on the surface of CdS nanosheets. The as‐formed heterojunctions exhibit a significantly enhanced photocatalytic H2 evolution rate of 14.02 mmol h−1 g−1 when irradiated with visible light, which is ~10 and 85 times higher than those of pristine CdS nanosheets and CdS nanoparticles, respectively, and superior to most of the CdS‐based photocatalysts reported to date. Furthermore, they provide robust photocatalytic performance with demonstratable stability over 58 h, indicating their potential for practical applications. The formation of 1D/2D heterojunctions not only provides improved exposed active sites that respond to illumination but also provides a rapid pathway to generate photogenerated carriers for efficient separation and transfer through the matrix of single‐crystalline CdS nanosheets. In addition, first‐principles simulations demonstrate that the existence of rich Zn vacancies increases the energy level of the ZnS valence band maximum to construct type‐II and Z‐scheme mixed heterojunctions, which plays a critical role in suppressing the recombination of carriers with limited photocorrosion of CdS to enhance photocatalytic behavior.
Molecular Insights into Bifunctional Ambruticin DH3 for Substrate Specificity and Catalytic Mechanism
Authors: Du Zeqian , Li Yongzhen , Liu Yihan , Shi Ting 
Published: December 2022

AbstractDehydratase (DH), a domain located at polyketide synthase (PKS) modules, commonly catalyzes the dehydration of β‐hydroxy to an α,β‐unsaturated acyl intermediate. As a unique bifunctional dehydratase, AmbDH3 (the DH domain of module 3 of the ambruticin PKS) is verified to be responsible for both dehydration and the following pyran‐forming cyclization. Besides, in vitro studies showed that its catalytic efficiency varies with different chiral substrates. However, the detailed molecular mechanism of AmbDH3 remains unclear. In this work, the structural rationale for the substrate specificity (2R/2S‐ and 6R/6S‐substrates) in AmbDH3 was elucidated and the complete reaction pathways including dehydration and cyclization were presented. Both MD simulations and binding free energy calculations indicated AmbDH3 had a stronger preference for 2R‐substrates (2R6R‐2, 2R6S‐3) than 2S‐substrates (2S6R‐1), and residue H51 and G61 around the catalytic pocket were emphasized by forming stable hydrogen bonds with 2R‐substrates. In addition, AmbDH3’s mild tolerance at C6 was explained by comparison of substrate conformation and hydrogen bond network in 6S‐ and 6R‐substrate systems. The QM/MM results supported a consecutive one‐base dehydration and cyclization mechanism for 2R6S‐3 substrate with the energy barrier of 25.2 kcal mol−1 and 24.5 kcal mol−1, respectively. Our computational results uncover the substrate recognition and catalytic process of the first bifunctional dehydratase‐cyclase AmbDH3, which will shed light on the application of multifunctional DH domains in PKSs for diverse natural product analogs and benefit the chemoenzymatic synthesis of stereoselective pyran‐containing products.
Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics
Authors: Boiarska Zlata , Pérez‐Peña Helena , Abel Anne‐Catherine , Marzullo Paola , Álvarez‐Bernad Beatriz , Bonato Francesca , Santini Benedetta , Horvath Dragos , Lucena‐Agell Daniel , Vasile Francesca , Sironi Maurizio , Díaz J. Fernando , Prota Andrea E. , Pieraccini Stefano , Passarella Daniele 
Published: December 2022

AbstractMaytansinoids are a successful class of natural and semisynthetic tubulin binders, known for their potent cytotoxic activity. Their wider application as cytotoxins and chemical probes to study tubulin dynamics has been held back by the complexity of natural product chemistry. Here we report the synthesis of long‐chain derivatives and maytansinoid conjugates. We confirmed that bulky substituents do not impact their high activity or the scaffold's binding mode. These encouraging results open new avenues for the design of new maytansine‐based probes.
Pulsed Electron‐Nuclear Double Resonance in the Fourier Regime
Authors: Dayan Nir , Artzi Yaron , Jbara Moamen , Cristea David , Blank Aharon 
Published: December 2022

AbstractNuclear magnetic resonance (NMR) spectroscopy provides atomic‐level molecular structural information. However, in molecules containing unpaired electron spins, NMR signals are difficult to measure directly. In such cases, data is obtained using the electron‐nuclear double resonance (ENDOR) method, where nuclei are detected through their interaction with nearby unpaired electron spins. Unfortunately, electron spins spread the ENDOR signals, which challenges current acquisition techniques, often resulting in low spectral resolution that provides limited structural details. Here, we show that by using miniature microwave resonators to detect a small number of electron spins, integrated with miniature NMR coils, one can excite and detect a wide bandwidth of ENDOR data in a single pulse. This facilitates the measurement of ENDOR spectra with narrow lines spread over a large frequency range at much better spectral resolution than conventional approaches, which helps reveal details of the paramagnetic molecules’ chemical structure that were not accessible before.
Incidence and risk factors for medication‐related osteonecrosis after tooth extraction in cancer patients—A systematic review
Authors: Schwech Nurda , Nilsson Johanna , Gabre Pia 
Published: December 2022

AbstractObjectivesAntiresorptive medication has been reported to be associated with medication‐related osteonecrosis of the jaw (MRONJ). This systematic review aims at investigating the incidence of and risk factors for MRONJ after tooth extractions in cancer patients treated with high‐dose bisphosphonate and denosumab (BP and DS).Material and MethodsThe protocol followed the PRISMA statement list and was registered in PROSPERO. Searches were performed for literature published up to April 2021 in the electronic databases PubMed, Embase, Web of Science, and CINAHL and then supplemented by manual research.ResultsThe search process resulted in 771 identified articles, of which seven studies fitted the population, intervention, comparison, and outcome framework. All were observational studies and four had control groups. A total of 550 patients treated with BP and DS were identified of whom 271 had received tooth extractions after medication onset. Due to significant heterogenicity in the collected data, only a qualitative analysis was performed. The MRONJ incidence after tooth extractions varied between 11% and 50% at the patient level. MRONJ occurred up to 3 years after the tooth extraction. Teeth affected by inflammation before the extraction and additional osteotomy during the surgical procedure were identified as risk factors.ConclusionsReliable methods of diagnosing MRONJ and adequate follow‐up periods are important factors in obtaining the actual incidence of MRONJ after tooth extractions in patients treated with high‐dose BP and DS.
A hybrid technique for the PAPR reduction of NOMA waveform
Authors: Kumar Arun , Gour Nidhi , Sharma Himanshu , Pareek Rajneesh 
Published: December 2022

SummaryNon‐orthogonal multiple access (NOMA) is a great contender for future cellular modulation due to its desirable properties like massive connectivity, high data rate transmission, and high spectral efficiency. However, its peak‐to‐average power ratio (PAPR) is significant, which becomes a significant disadvantage for the efficient operability of the NOMA waveform compared to current techniques. Several PAPR reduction algorithms like selective mapping (SLM), partial transmission sequence (PTS), and companding techniques have been proposed to lower the PAPR of multicarrier waveforms (MCWs). PTS reduces the PAPR but has high complexity. On the other hand, SLM has a less complex framework, but its PAPR performance is not as efficient as PTS. Companding methods reduce the PAPR by compressing the signals at the transmitter, which unfortunately reduces the dynamic range of the signal. In this work, we propose a hybrid algorithm (SLM + PTS) with a companding method for the first time for the NOMA waveform, which efficiently reduces the PAPR with low computational complexity. Furthermore, we compare the performances of a host of candidate algorithms like SLM, PTS, hybrid (SLM + PTS), hybrid + A law (SLM–PTS–A law), and hybrid + Mu law (SLM–PTS–Mu law). The results of the experiments show that the hybrid + Mu law did a better job than the existing PAPR reduction algorithms.
Segregational instability of multicopy plasmids: A population genetics approach
Authors: Hernandez‐Beltran J. Carlos R. , Miró Pina Verónica , Siri‐Jégousse Arno , Palau Sandra , Peña‐Miller Rafael , González Casanova Adrián 
Published: December 2022

AbstractPlasmids are extra‐chromosomal genetic elements that encode a wide variety of phenotypes and can be maintained in bacterial populations through vertical and horizontal transmission, thus increasing bacterial adaptation to hostile environmental conditions like those imposed by antimicrobial substances. To circumvent the segregational instability resulting from randomly distributing plasmids between daughter cells upon division, nontransmissible plasmids tend to be carried in multiple copies per cell, with the added benefit of exhibiting increased gene dosage and resistance levels. But carrying multiple copies also results in a high metabolic burden to the bacterial host, therefore reducing the overall fitness of the population. This trade‐off poses an existential question for plasmids: What is the optimal plasmid copy number? In this manuscript, we address this question by postulating and analyzing a population genetics model to evaluate the interaction between selective pressure, the number of plasmid copies carried by each cell, and the metabolic burden associated with plasmid bearing in the absence of selection for plasmid‐encoded traits. Parameter values of the model were estimated experimentally using Escherichia coli K12 carrying a multicopy plasmid encoding for a fluorescent protein and blaTEM‐1, a gene conferring resistance to β‐lactam antibiotics. By numerically determining the optimal plasmid copy number for constant and fluctuating selection regimes, we show that plasmid copy number is a highly optimized evolutionary trait that depends on the rate of environmental fluctuation and balances the benefit between increased stability in the absence of selection with the burden associated with carrying multiple copies of the plasmid.
Giant panda age recognition based on a facial image deep learning system
Authors: Qi Yu , Su Han , Hou Rong , Zang Hangxing , Liu Peng , He Mengnan , Xu Ping , Zhang Zhihe , Chen Peng 
Published: December 2022

AbstractThe conservation of the giant panda (Ailuropoda melanoleuca), as an iconic vulnerable species, has received great attention in the past few decades. As an important part of the giant panda population survey, the age distribution of giant pandas can not only provide useful instruction but also verify the effectiveness of conservation measures. The current methods for determining the age groups of giant pandas are mainly based on the size and length of giant panda feces and the bite value of intact bamboo in the feces, or in the case of a skeleton, through the wear of molars and the growth line of teeth. These methods have certain flaws that limit their applications. In this study, we developed a deep learning method to study age group classification based on facial images of captive giant pandas and achieved an accuracy of 85.99% on EfficientNet. The experimental results show that the faces of giant pandas contain some age information, which mainly concentrated between the eyes of giant pandas. In addition, the results also indicate that it is feasible to identify the age groups of giant pandas through the analysis of facial images.
Alien species affect the abundance and richness of native species in tropical forests: The role of adaptive strategies
Authors: Rojas‐Sandoval Julissa , Ackerman James D. , Marcano‐Vega Humfredo , Willig Michael R. 
Published: December 2022

AbstractUnderstanding the role of alien species in forest communities, and how native and alien species interact to shape the composition and structure of contemporary forests, is of critical importance to invasion ecology and natural resource management. We used vegetation data collected over a 20‐year period in 341 permanent plots representing remnants of closed‐canopy forests and post‐agricultural secondary forests across Puerto Rico to compare changes in the composition and abundance of native and alien woody species in plots with and without aliens across different forest types and to assess whether aliens and natives show divergence or convergence regarding functional roles and ecological strategies. We also tested the applicability of Grime's CSR (competitive, stress‐tolerant, and ruderal strategies) theory to explain naturalization success. Species richness and abundance of natives are consistently lower in plots in which aliens are present compared with those without them. This negative association between aliens and natives has been consistent over the 20 years and across all forest types. Both native and total richness slightly increased over the 20 years, but the increase in native species richness was three times lower in plots with aliens relative to those without aliens. The CSR classification provided insight into the naturalization success of aliens. Corroborating the “join the locals” hypothesis, aliens use the same functional spaces as natives. The exception is in dry forests, where aliens and natives differ in the use of functional spaces, a result that corroborates the “try harder” hypothesis. Generally, aliens were better competitors compared with natives, and natives were more stress‐tolerant than aliens. Our combined results suggest that alien species may inhibit population growth or even drive local changes in native plant communities by transforming the assembly and dynamics of tropical forests. Ultimately, modifications linked to invasive species may have significant implications for local forests, affecting their regeneration and productivity. More definitive conclusions require additional plot censuses, and analyses of disturbance regimes and stand‐age structure to reveal the long‐term implications of alien species on regenerating tropical forests, including their vulnerability, resilience, and adaptive capacity to cope with various aspects of climate change.
Cobalt Nanoparticles Formed upon Reaction of Cp*Co(III) Metallacycles with Na[BHEt3] Show Catalytic Activity in the Hydrosilylation of Aryl Ketones, Aldehydes and Nitriles
Authors: Antuña‐Hörlein Carmen , Wu Fule , Deraedt Christophe , Bouillet Corinne , Djukic Jean‐Pierre 
Published: December 2022

AbstractThe reactivity of the 2‐phenylpyridine‐derived [Cp*CoI(phpy‐κC,N)] metallacycle towards Et3SiH and hydrides was evaluated. The treatment of the same Co(III) complex with Na[BHEt3] resulted in its decomposition into cobalt nanoparticles. The hydride‐promoted decomposition of the metallacycle involves the transient formation of an elusive hydrido‐cobalt(III) intermediate, the traces of which were detected by1H NMR spectroscopy at sub‐ambient temperature. The Co nanoparticles produced from a 5 mol% and 10 mol% load of cobaltacycle and Na[BHEt3] respectively contain Co(0) that is responsible for the hydrosilylation by Et3SiH of arylketones into silylalkyl ethers. To minimize the residual side reduction of carbonyls by Na[BHEt3], a mixture of 5 mol% of the latter with 5 mol% of BEt3was found to produce optimal hydrosilylation yields at 40 °C in 2 h. Under similar conditions, several arylnitriles were mono‐hydrosilylated into N‐silyl‐imines in yields ranging from 68 to 100 %.
Total Synthesis of Resorcylic Acid Lactone (−)‐Neocosmosin A Using Palladium‐Catalyzed α‐Arylation of Enones as the Key Step
Authors: Pawar Govind Goroba , Kale Ajit Prabhakar , Sah Pooja , Kapur Manmohan 
Published: December 2022

AbstractThe total synthesis of the 14‐membered resorcylic acid lactone neocosmosin A is described. The key step in the synthesis is the palladium‐catalyzed α‐arylation of TES‐enol ethers of enones. The employment of the α‐arylation approach to this class of resorcylic acid lactones is a new approach, which has the scope of being generalized into a unified approach for the synthesis of this class of natural products.