bluuebunny/crossref_metadata_2025_split huggingface dataset:
Two‐Second‐Annealed 2D/3D Perovskite Films with Graded Energy Funnels and Toughened Heterointerfaces for Efficient and Durable Solar Cells
Authors: Chang Xueqing , Zhong Jun‐Xing , Li Sibo , Yao Qin , Fang Yuxuan , Yang Guo , Tan Ying , Xue Qifan , Qiu Longbin , Wang Qingqian , Peng Yong , Wu Wu‐Qiang 
Published: August 2023

AbstractThe 2D/3D perovskite heterostructures have been widely investigated to enhance the efficiency and stability of perovskite solar cells (PSCs). However, rational manipulation of phase distribution and energy level alignment in such 2D/3D perovskite hybrids are still of great challenge. Herein, we successfully achieved spontaneous phase alignment of 2D/3D perovskite heterostructures by concurrently introducing both 2D perovskite component and organic halide additive. The graded phase distribution of 2D perovskites with different n values and 3D perovskites induced favorable energy band alignment across the perovskite film and boosted the charge transfer at the relevant heterointerfaces. Moreover, the 2D perovskite component also acted as a “band‐aid” to simultaneously passivate the defects and release the residual tensile stress of perovskite films. Encouragingly, the blade‐coated PSCs based on only ≈2 s in‐situ fast annealed 2D/3D perovskite films with favorable energy funnels and toughened heterointerfaces achieved promising efficiencies of 22.5 %, accompanied by extended lifespan. To our knowledge, this is the highest reported efficiency for the PSCs fabricated with energy‐saved thermal treatment just within a few seconds, which also outperformed those state‐of‐the‐art annealing‐free analogues. Such a two‐second‐in‐situ‐annealing technique could save the energy cost by up to 99.6 % during device fabrication, which will grant its low‐coast implementation.
Regulating the Sequence Structure of Conjugated Block Copolymers Enables Large‐Area Single‐Component Organic Solar Cells with High Efficiency and Stability
Authors: Cheng Yujun , Mao Qilong , Zhou Chunxiang , Huang Xuexiang , Liu Jiabin , Deng Jiawei , Sun Zhe , Jeong Seonghun , Cho Yongjoon , Zhang Youhui , Huang Bin , Wu Feiyan , Yang Changduk , Chen Lie 
Published: August 2023

AbstractSingle‐component organic solar cells (SCOSCs) based on conjugated block copolymers (CBCs) by covalently bonding a polymer donor and polymer acceptor become more and more appealing due to the formation of a favorable and stable morphology. Unfortunately, a deep understanding of the effect of the assembly behavior caused by the sequence structure of CBCs on the device performance is still missing. Herein, from the aspect of manipulating the sequence length and distribution regularity of CBCs, we synthesized a series of new CBCs, namely D18(20)‐b‐PYIT, D18(40)‐b‐PYIT and D18(60)‐b‐PYIT by two‐pot polymerization, and D18(40)‐b‐PYIT(r) by traditional one‐pot method. It is observed that precise manipulation of sequence length and distribution regularity of the polymer blocks fine‐tunes the self‐assembly of the CBCs, optimizes film morphology, improves optoelectronic properties, and reduces energy loss, leading to simultaneously improved efficiency and stability. Among these CBCs, the D18(40)‐b‐PYIT‐based device achieves a high efficiency of 13.4 % with enhanced stability, which is an outstanding performance among SCOSCs. Importantly, the regular sequence distribution and suitable sequence length of the CBCs enable a facile film‐forming process of the printed device. For the first time, the blade‐coated large‐area rigid/flexible SCOSCs are fabricated, delivering an impressive efficiency of 11.62 %/10.73 %, much higher than their corresponding binary devices.
A pilot trial of consolidation bevacizumab after hypo‐fractionated concurrent chemoradiotherapy in patients with unresectable locally advanced non‐squamous non‐small‐cell lung cancer
Authors: Huo LanQing , Chu Chu , Jiang XiaoBo , Zheng ShiYang , Zhang PengXin , Zhou Rui , Chen NaiBin , Guo JinYu , Qiu Bo , Liu Hui 
Published: August 2023

AbstractPurposeTo determine the feasibility of incorporating bevacizumab consolidation into hypo‐fractionated concurrent chemoradiotherapy (hypo‐CCRT) for patients with unresectable locally advanced non‐squamous non‐small‐cell lung cancer (LA‐NS‐NSCLC).Patients and MethodsEligible patients were treated with hypo‐RT (40Gy in 10 fractions) followed by hypo‐boost (24‐28Gy in 6–7 fractions), along with concurrent weekly chemotherapy. Patients who completed the hypo‐CCRT without experiencing ≥G2 toxicities received consolidation bevacizumab every 3 weeks for up to 1 year, until disease progression or unacceptable treatment‐related toxicities.The primary endpoint was the risk of G4 or higher hemorrhage. Secondary endpoints included progression‐free survival (PFS), overall survival (OS), locoregional failure‐free survival (LRFS), distant metastasis‐free survival (DMFS), and objective response rate (ORR). All time‐to‐event endpoints (OS, PFS, LRFS, and DMFS) were measured from the start of radiotherapy.ResultsBetween December 2017 and July 2020, a total of 27 patients were included in the analysis, with a median follow‐up duration of 28.0 months. One patient (3.7%) developed G5 hemorrhage during bevacizumab consolidation. Additionally, seven patients (25.9%) had G3 cough and three patients (11.1%) experienced G3 pneumonitis. The ORR for the entire cohort was 92.6%. The median OS was 37.0 months (95% confidence interval, 8.9–65.1 months), the median PFS was 16.0 months (95% confidence interval, 14.0–18.0 months), the median LRFS was not reached, and the median DMFS was 18.0 months.ConclusionsThis pilot study met its goal of demonstrating the tolerability of consolidation bevacizumab after hypo‐CCRT. Further investigation of antiangiogenic and immunotherapy combinations in LA‐NSCLC is warranted, while the potential for grade 3 respiratory toxicities should be taken into consideration.
Diarylidene‐N‐Methyl‐4‐Piperidones and Spirobibenzopyrans as Antioxidant and Anti‐Inflammatory Agents
Authors: Kumar Rokkam Siva , Mas‐Rosario Javier A. , Joshi Bishnu P. , Joshi Mayank , Choudhury Angshuman Roy , Kar Swayamsiddha , Golakoti Nageswara Rao , Farkas Michelle E. 
Published: August 2023

AbstractCurcumin has antioxidant properties resulting from its radical scavenging ability and inhibition of inflammation‐associated factors. However, its lack of solubility, instability, and poor bioavailability are impediments to its therapeutic use. As potential alternatives, we synthesized and performed chemical analysis of thirty diarylidene‐N‐methyl‐4‐piperidone (DANMP), diheteroarylidene‐N‐methyl‐4‐piperidone (DHANMP), and spirobibenzopyran (SBP) derivatives, one of which was also characterized by single crystal X‐ray diffraction. All compounds were evaluated for antioxidant activity via 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH) radical scavenging assay and for drug‐like properties in silico. A subset of five compounds was investigated in terms of aqueous solubilities, which were significantly improved compared to that of curcumin. In vitro assessments of cellular and anti‐inflammatory effects were conducted via real time polymerase chain reaction (RT‐PCR) and Griess assays to evaluate the presence of inflammatory/activated (M1) markers and production of nitric oxide (NO) species, which are associated with inflammation. The five compounds reduced levels of markers and NO to extents similar to or better than curcumin in inflamed cells, and showed no adverse effects on cell viability. We show that these compounds possess anti‐inflammatory properties and may be used as curcumin‐substitutes with improved characteristics.
Extraction and Purification, Structural Characterization and Biological Activity of a Polysaccharide, PRP‐1, from Plumeria rubra
Authors: Yu Yongshi , Xia Yingchi , Sun Ningyun , Tian Yamei , Chen Xin , Fan Lixia , Zhao Chaochao , Xia Chenglai , Yang Anping , Liu Hui 
Published: August 2023

AbstractPolysaccharides derived from the flowers of Plumeria rubra (PRP) have shown a variety of beneficial effects on improving human health. However, the structural features and bioactivities of PRP remain unclear. A novel neutral polysaccharide (named PRP‐1) with a molecular weight of 23 kDa was extracted and purified from the flowers of P. rubra. PRP‐1 was consisted of arabinose, galactose, glucose, xylose and mannose, with a molar ratio of 1.49: 27.89: 50.24: 13.02: 7.36. The structural characterization based on the methylation and 1D/2D nuclear magnetic resonance analyses indicated that PRP‐1 was composed of →4)‐Glcp‐(1→, →4,6)‐Glcp‐(1→, →4)‐Galp‐(1→, →2)‐Galp‐(1→, t‐Gal(p), →4)‐Manp‐(1→, →4,6)‐Manp‐(1→, t‐Man(p), →2)‐Xylp‐(1→, and t‐Xyl(p). Scanning electron microscopy revealed that PRP‐1 possess a compact three‐dimensional curling network structure in the terms of morphology. PRP‐1 exhibited anti‐inflammatory activity, which have moderate inhibitory effects on TNF‐α and IL‐6 production in lipopolysaccharide (LPS)‐induced RAW 264.7 cells. In addition, PRP‐1 showed ABTS, OH radicals scavenging and the Fe2+ chelating effects in a concentration dependent manner. In α‐glucosidase inhibition assay, PRP‐1 did not exhibit inhibitory activity. Overall, these results provide a scientific basis for the utilization of the flowers of P. rubra as a potential functional food ingredient.
Improving the Antibiofouling and Operational Properties of PVDF Membranes Using Synthesized Cu‐SiO2 Nanoparticles in a Submerged Membrane Bioreactor
Authors: Amani Sanaz , Nourizadeh Kazerouni Haleh , Mikaeili Khiavi Shakiba , Akbari Ali , Yegani Reza 
Published: August 2023

AbstractThe effects of synthesized hydrophilic Cu‐SiO2 nanoparticles on the morphology and antibiofouling performance of polyvinylidene fluoride (PVDF) membranes in a membrane bioreactor system were examined. As a result, the pure water flux of the PVDF membrane increased from 47.61 to 71.93 L m−2h−1 in the presence of 1.0 wt % Cu‐SiO2 nanoparticles. Also, the better‐developed finger‐like bulk pores and thicker sponge‐like surface pores for the nanocomposite membranes confirmed the lower phase inversion rate. The total fouling ratio of the membranes was reduced from 53.79 % to 24.13 % in the presence of 1.0 wt % Cu‐SiO2 nanoparticles, while the flux recovery ratio increased from 54.61 % to 88.73 %. In addition, extracellular polymeric substances analysis showed lower protein and carbohydrate formed on the membrane surface for the nanocomposite membranes.
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near‐infrared spectra of forage feed samples
Authors: Dhanoa Mewa S. , López Secundino , Sanderson Ruth , Lister Sue J. , Barnes Ralph J. , Ellis Jennifer L. , France James 
Published: August 2023

AbstractScatter corrections are commonly applied to refine near‐infrared (NIR) spectra. The aim of this study is to assess the impact of measurement errors when using ordinary least squares (OLS) for multiplicative scatter correction (MSC). Any measurement errors attached to the set‐mean spectrum may attenuate the OLS slope and that in turn will affect the estimate of the intercept and the adjustment of the spectra when using MSC methods to mitigate scattering. A corrected least squares slope may be used instead to prevent this problem, although the impact of this approach on the final outcome will depend on the relative size of the measurement errors in the individual spectra and the set‐mean spectrum. The errors‐in‐variables or type II regression model (also known as Deming regression) and its special cases, major axis (MA) and reduced major axis (RMA), are discussed and illustrated. The extent of OLS slope bias or attenuation is demonstrated as is the resulting MSC spectral distortion. Further modification to the MSC transformation method is also suggested. The influence of scattering correction (by MSC, standard normal variate (SNV) and detrending) and of using the maximum likelihood estimate of the slope for MSC on the prediction of chemical composition of Lucerne herbage from NIR spectra was assessed. The predictive performance was slightly improved by the use of scattering corrections with fairly minor differences among methods. Nonetheless, it seems well worth considering the use of type II regression models for assessing MSC application aiming at improving the goodness of prediction from NIR spectra.
Direct Solution‐Phase Synthesis and Functionalization of 2D WSe2 for Ambient Stability
Authors: Sasikala Suchithra Padmajan , Prabhakaran Prem , Baskaran Sambath , Kim Jun Tae , Lee Gang San , Yoon Yeo Hoon , Choi Hee Jae , Kim Jin Goo , Kim Jun Beom , Kim Sang Ouk 
Published: August 2023

Abstract2H phase tungsten diselenide (WSe2) is a p‐type 2D semiconductor from the transition metal dichalcogenides (TMDs) family with unique optoelectrical properties. Solution phase production of atomically thin WSe2 is challenging due to its instability under ambient conditions. We present a highly efficient and scalable solution method for simultaneously exfoliating and functionalizing WSe2 by leveraging the non‐covalent interaction between mercapto‐group and bulk WSe2. Single and few‐layer 2H phase pure WSe2 sheets of lateral size up to 5 μm with minimal basal plane defects, as revealed by XPS, Raman and FTIR spectroscopy, are produced in a water‐ethanol mixture. Remarkably, WSe2 dispersion remains stable even at high concentrations (10 mg/mL) and exhibited high colloidal stability with a shelf‐life exceeding a year. The findings from our study suggest that through precise manipulation of intercalation chemistry, mass production of solution‐processable phase‐sensitive 2D materials such as WSe2 can be achieved. This advancement holds great potential for facilitating their practical utilization in various real‐world applications.
In silico Investigation of the Thermochemistry and Photoactivity of Pyruvic Acid in an Aqueous Solution of NaCl
Authors: Pollet Rodolphe , Chin Wutharath 
Published: August 2023

AbstractThe photochemistry of oxocarboxylic acids contributes significantly to the complex chemistry occurring in the atmosphere. In this regard, pyruvic acid undergoes photoreactions that lead to many diverse products. The presence of sodium cation near pyruvic acid in an aqueous solution, or its conjugate base in non‐acidic conditions, influences the hydration equilibrium and the photosensitivity to UV‐visible light of the oxocarboxylic acid. We performed an ab initio metadynamics simulation which serves two purposes: first, it unveils the mechanisms of the reversible hydration reaction between the keto and the diol forms, with a free‐energy difference of only 2 kJ/mol at 300 K, which shows the influence of sodium on the keto/diol ratio; second, it provides solvent‐shared ion pairing (SSIP) and contact ion pairing (CIP) structures, including Na+ coordinated to carbonyl, for the calculations of the electronic transition energies to an antibonding π* orbital, which sheds light on the photoactivity of these two forms in the actinic region.
UPDATED PROTOCOL: Universal school‐based programmes for improving social and emotional outcomes in children aged 3–11 years: An evidence and gap map
Authors: Hanratty Jennifer , Miller Sarah , Rodriguez Leonor , Connolly Paul , Roberts Jennifer , Sloan Seaneen , Brennan‐Wilson Aoibheann , Bradshaw Daragh , Coughlan Christopher , Gleghorne Nicole , Dunne Laura , Millen Sharon , Smith Aimee , O'Sullivan Cadhla 
Published: August 2023

AbstractThis is the protocol for an evidence and gap map. The objective of this EGM is to identify and map all primary studies (including randomised and cluster randomised trials) and systematic reviews on universal, school‐based social and emotional learning programmes for young children (3–11 years) to create a live, searchable, and publicly available evidence and gap map.
Low TP53 variant allele frequency as a biomarker for anti‐programmed death (ligand) 1 monotherapy in lung adenocarcinoma
Authors: Wang Shouzheng , Xie Tongji , Li Yan , Guo Lei , Ying Jianming , Wang Yan , Hao Xuezhi , Wang Xingyuan , Li Junling , Xing Puyuan 
Published: August 2023

AbstractBackgroundTP53 mutation heterogeneity should be considered when using TP53 as a predictive biomarker for anti–programmed death (ligand) 1 (PD‐(L)1) monotherapy in lung adenocarcinoma (LUAD). However, whether TP53 variant allele frequency (VAF) should also be considered remains unknown.MethodsPatients with LUAD from both published research and the local cohort were included to discover and validate the relationship between TP53 VAF and the efficacy of PD‐(L)1 inhibitors. The Cancer Genome Atlas (TCGA) LUAD data were included for genomic, transcriptomic, and tumor microenvironment analysis.ResultsAmong 159 patients in the discovery cohort, low TP53 VAF patients (VAF ≤ 25%) experienced significantly longer progression‐free survival (PFS) than both high TP53 VAF (5.4 vs. 3.3 months; p = .021) and TP53‐wild‐type patients (5.4 vs. 2.5 months; p = .011). Multivariate Cox regression revealed low TP53 VAF as an independent biomarker of better efficacy. Among 50 patients in the combined validation cohort, median PFS of low TP53 VAF patients was also significantly longer than that of high TP53 VAF patients (12.0 vs. 2.1 months; p = .037). Analyzed with 469 TCGA LUAD samples, low TP53 VAF is associated with significantly higher PD‐L1 expression, enrichment of gene sets related to T‐cell activation, T cell–mediated immunity, and interferon‐γ signaling pathways, and independently associated with more tumor‐infiltrating CD8+ T cells compared with both high TP53 VAF and TP53‐wild type.ConclusionsTP53 VAF should also be considered when using TP53 as a predictive biomarker. Only low TP53 VAF is independently associated with better efficacy of anti–PD‐(L)1 monotherapy, which may result from higher PD‐L1 expression and more tumor‐infiltrating CD8+ T cells.
Computational Insights on the Hydride and Proton Transfer Mechanisms of D‐Arginine Dehydrogenase
Authors: Yildiz Ibrahim 
Published: August 2023

AbstractD‐Arginine dehydrogenase from Pseudomonas aeruginosa (PaDADH) is an amine oxidase which catalyzes the conversion of D‐arginine into iminoarginine. It contains a non‐covalent FAD cofactor that is involved in the oxidation mechanism. Based on substrate, solvent, and multiple kinetic isotope effects studies, a stepwise hydride transfer mechanism is proposed. It was shown that D‐arginine binds to the active site of enzyme as α‐amino group protonated, and it is deprotonated before a hydride ion is transferred from its α‐C to FAD. Based on a mutagenesis study, it was concluded that a water molecule is the most likely catalytic base responsible from the deprotonation of α‐amino group. In this study, we formulated computational models based on ONIOM method to elucidate the oxidation mechanism of D‐arginine into iminoarginine using the crystal structure of enzyme complexed with iminoarginine. The calculations showed that Arg222, Arg305, Tyr249, Glu87, His 48, and two active site water molecules play key roles in binding and catalysis. Model systems showed that the deprotonation step occurs prior to hydride transfer step, and active site water molecule(s) may have participated in the deprotonation process.
Scarless Modification of the Drosophila Genome Near Any Mapped attP Sites
Authors: Feng Siqian , Mann Richard S. 
Published: August 2023

AbstractHere we describe a Drosophila genome engineering technique that can scarlessly modify genomic sequences near any mapped attP attachment site previously integrated by transposon mobilization or gene targeting. This technique combines two highly efficient and robust procedures: phiC31 integrase–mediated site‐specific integration and homing endonuclease–mediated resolution of local duplications. In this technique, a donor fragment containing the desired mutation(s) is first integrated into a selected attP site near the target locus by phiC31 integrase–mediated site‐specific integration, which creates local duplications consisting of the mutant‐containing donor fragment and the wild‐type target locus. Next, homing endonuclease–induced double‐stranded DNA breaks trigger recombination between the duplications and resolve the target locus to generate scarless mutant alleles. In every step, the desired flies can be easily identified by patterns of dominant markers, so no large‐scale screens are needed. This technique is highly efficient and can be used to generate scarless point mutations, insertions, and deletions. The availability of large libraries of mapped attP site–containing transposon/CRISPR insertions in Drosophila allows the modification of more than half of the euchromatic Drosophila genome at a high efficiency. As more and more attP‐containing insertions are generated and mapped, this technique will be able to modify larger portions of the Drosophila genome. The principles of this technique are applicable to other organisms where modifications to the genome are feasible. © 2023 Wiley Periodicals LLC.Basic Protocol 1: Verifying attP‐containing insertionsSupport Protocol: Extracting genomic DNABasic Protocol 2: Generating the donor plasmidBasic Protocol 3: Injecting the donor plasmid and establishing transformant stocksBasic Protocol 4: Verifying the transformantsBasic Protocol 5: Generating the final scarless allelesBasic Protocol 6: Verifying the final alleles
A High‐Throughput Absolute Quantification of Protein‐Bound Sulfur Amino Acids from Model and Crop Plant Seeds
Authors: Yobi Abou , Ansaf Huda , Angelovici Ruthie 
Published: August 2023

AbstractIn this procedure, we describe a high‐throughput absolute quantification protocol for the protein‐bound sulfur amino acids, cysteine (Cys) and methionine (Met), from plant seeds. This procedure consists of performic acid oxidation that transforms bound Cys into cysteic acid (CysA) and bound Met into methionine sulfone (MetS) followed by acid hydrolysis. The absolute quantification step is performed by multiple reaction monitoring tandem mass spectrometry (LC‐MS/MS). The approach facilitates the analysis of a few hundred samples per week by using a 96‐well plate extraction setup. Importantly, the method uses only ∼4 mg of tissue per sample and uses the common acid hydrolysis protocol, followed by water extraction that includes DL‐Ser‐d3 and L‐Met‐d3 as internal standards to enable the quantification of the absolute levels of the protein‐bound Cys and Met with high precision, accuracy, and reproducibility. The protocol described herein has been optimized for seed samples from Arabidopsis thaliana, Glycine max, and Zea mays but could be applied to other plant tissues. © 2023 Wiley Periodicals LLC.Basic Protocol: Analysis of protein‐bound cysteine and methionine from seeds
Use of a hybrid intelligence decision tree to identify mature B‐cell neoplasms
Authors: Vergnolle Inès , Ceccomarini Theo , Canali Alban , Rieu Jean‐Baptiste , Vergez François 
Published: August 2023

AbstractBackgroundMature B‐cell neoplasms are challenging to diagnose due to their heterogeneity and overlapping clinical and biological features. In this study, we present a new workflow strategy that leverages a large amount of flow cytometry data and an artificial intelligence approach to classify these neoplasms.MethodsBy combining mathematical tools, such as classification algorithms and regression tree (CART) models, with biological expertise, we have developed a decision tree that accurately identifies mature B‐cell neoplasms. This includes chronic lymphocytic leukemia (CLL), for which cytometry has been extensively used, as well as other non‐CLL subtypes.ResultsThe decision tree is easy to use and proposes a diagnosis and classification of mature B‐cell neoplasms to the users. It can identify the majority of CLL cases using just three markers: CD5, CD43, and CD200.ConclusionThis approach has the potential to improve the accuracy and efficiency of mature B‐cell neoplasm diagnosis.