bluuebunny/crossref_metadata_2025_split huggingface dataset:
Alkyl Chains Tune Molecular Orientations to Enable Dual Passivation in Inverted Perovskite Solar Cells
Authors: Liu Jian , Chen Jiujiang , Xie Lisha , Yang Shuncheng , Meng Yuanyuan , Li Minghui , Xiao Chuanxiao , Zhu Jintao , Do Hainam , Zhang Jiajia , Yang Mengjin , Ge Ziyi 
Published: May 2024

AbstractNonradiative recombination losses occurring at the interface pose a significant obstacle to achieve high‐efficiency perovskite solar cells (PSCs), particularly in inverted PSCs. Passivating surface defects using molecules with different functional groups represents one of the key strategies for enhancing PSCs efficiency. However, a lack of insight into the passivation orientation of molecules on the surface is a challenge for rational molecular design. In this study, aminothiol hydrochlorides with different alkyl chains but identical electron‐donating (−SH) and electron‐withdrawing (−NH3+) groups were employed to investigate the interplay between molecular structure, orientation, and interaction on perovskite surface. The 2‐Aminoethane‐1‐thiol hydrochloride with shorter alkyl chains exhibited a preference of parallel orientations, which facilitating stronger interactions with the surface defects through strong coordination and hydrogen bonding. The resultant perovskite films following defect passivation demonstrate reduced ion migration, inhibition of nonradiative recombination, and more n‐type characteristics for efficient electron transfer. Consequently, an impressive power conversion efficiency of 25 % was achieved, maintaining 95 % of its initial efficiency after 500 hours of continuous maximum power point tracking.
Solar Azo‐Switches for Effective E→Z Photoisomerization by Sunlight
Authors: Zhang Zhao‐Yang , Dong Dongfang , Bösking Tom , Dang Tongtong , Liu Chunhao , Sun Wenjin , Xie Mingchen , Hecht Stefan , Li Tao 
Published: May 2024

AbstractNatural photoactive systems have evolved to harness broad‐spectrum light from solar radiation for critical functions such as light perception and photosynthetic energy conversion. Molecular photoswitches, which undergo structural changes upon light absorption, are artificial photoactive tools widely used for developing photoresponsive systems and converting light energy. However, photoswitches generally need to be activated by light of specific narrow wavelength ranges for effective photoconversion, which limits their ability to directly work under sunlight and to efficiently harvest solar energy. Here, focusing on azo‐switches—the most extensively studied photoswitches, we demonstrate effective solar E→Z photoisomerization with photoconversions exceeding 80 % under unfiltered sunlight. These sunlight‐driven azo‐switches are developed by rendering the absorption of E isomers overwhelmingly stronger than that of Z isomers across a broad ultraviolet to visible spectrum. This unusual type of spectral profile is realized by a simple yet highly adjustable molecular design strategy, enabling the fine‐tuning of spectral window that extends light absorption beyond 600 nm. Notably, back‐photoconversion can be achieved without impairing the forward solar isomerization, resulting in unique light‐reversible solar switches. Such exceptional solar chemistry of photoswitches provides unprecedented opportunities for developing sustainable light‐driven systems and efficient solar energy technologies.
Boosting External Quantum Efficiency to 12.0 % of an Ultraviolet OLED by Engineering the Horizontal Dipole Orientation of a Hot Exciton Emitter
Authors: Zhang Kai , Zhou Zhongxin , Liu Denghui , Chen Yichao , Zhang Shiyue , Pan Jie , Qiao Xianfeng , Ma Dongge , Su ShiJian , Zhu Weiguo , Liu Yu 
Published: May 2024

AbstractCurrently, much research effort has been devoted to improving the exciton utilization efficiency and narrowing the emission spectra of ultraviolet (UV) fluorophores for organic light‐emitting diode (OLED) applications, while almost no attention has been paid to optimizing their light out‐coupling efficiency. Here, we developed a linear donor‐acceptor‐donor (D–A–D) triad, namely CDFDB, which possesses high‐lying reverse intersystem crossing (hRISC) property. Thanks to its integrated narrowband UV photoluminescence (PL) (λPL: 397 nm; FWHM: 48 nm), moderate PL quantum yield (ϕPL: 72 %, Tol), good triplet hot exciton (HE) conversion capability, and large horizontal dipole ratio (Θ//: 92 %), the OLEDs based on CDFDB not only can emit UV electroluminescence with relatively good color purity (λEL: 398 nm; CIEx,y: 0.161, 0.040), but also show a record maximum external quantum efficiency (EQEmax) of 12.0 %. This study highlights the important role of horizontal dipole orientation engineering in the molecular design of HE UV‐OLED fluorophores.
Halloysite nanotubes immobilized by copper itaconic acid complexes as smoke suppressant for soft polyvinyl chloride
Authors: Huang Jiaju , Fan Ping , Jiang Junjiong , Han Yize 
Published: May 2024

AbstractCurrently, there are few reports of core–shell‐structured smoke suppressants that can provide a growth substrate and stabilize the char layer. In response to this problem, core–shell nanoparticles of halloysite nanotubes (HNTs) coated with copper itaconate complex were prepared by layer‐by‐layer assembly method. The electrostatic forces between HNTs and copper ions and the coordination between the itaconic acid and copper ions contributed this synthesis. The micromorphology, chemical composition, and structure of HNT@CuC5H4O4 were characterized, and its effects on the flame‐retardant and smoke‐inhibition properties, mechanical properties, and thermal stability of the soft polyvinyl chloride (PVC) were investigated. The results showed that the core–shell structure of HNT@CuC5H4O4 contributed to its homogeneous dispersion in PVC and the formation of interlocking mesh structure. Thus, the incorporation of HNT@CuC5H4O4 enhanced the strength and stiffness of soft PVC without sacrificing its ductility. Besides, copper ions on HNT@CuC5H4O4 could promote the cross‐linking carbonization of the PVC at high temperature. The formed char layer catalyzed by CuC5H4O4, together with its attached three‐dimensional network structure of HNT constituted a compact and continuous char layer with high thermal stability, which effectively prevented the release of combustible volatiles and toxic gases as well as heat transfer.
Synergistic flame retardancy of aluminum diethylphosphinate and piperazine pyrophosphate/β‐cyclodextrin in polylactic acid
Authors: Hu Yan , Wang YaChao , Lai MengYao , Xue YangQian , Zhao JiangPing 
Published: May 2024

AbstractPolylactic acid has good biodegradability and processability, but its flammability and serious droplet characteristics limit its development and application. Therefore, developing safer flame‐retardant PLA materials is crucial. This research develops a novel flame‐retardant polylactic acid (PLA) material blend, utilizing aluminum diethylphosphinate (AlPi), piperazine pyrophosphate (PAPP), and β‐cyclodextrin. Optimal synergy occurs at a 5:1 PAPP/β‐CD mass ratio with 4 wt.% AlPi. This combination significantly reduces the heat release peak from 294.89 to 144.21 kW·m−2 and generates non‐combustible residues. The sample forms a stable, uniform carbon layer during combustion due to hydrogen bond crosslinking and Lewis acid–base reactions. The activation energy (Eα) is raised from 264.99 to 281.08 kJ·mol−1 between 312 and 402°C. Thus, an AlPi‐PAPP‐β‐CD based P‐C‐N composite flame retardant is investigated, offering a promising research direction for developing fire‐safe polylactic acid materials. This research may yield valuable insights for diverse applications.
Upgrading event driven Monte Carlo simulations for molecule‐based morphological control for battery and sensor applications
Authors: Marien Yoshi W. , Zhou Maofan , Edeleva Mariya , D'hooge Dagmar R. 
Published: May 2024

AbstractMultiphase polymeric materials and applications play a prominent role in our society. One of the key challenges is the design and modification of their macromolecules so that the composition and structuring of the phases as well as the interactions between them can be controlled from the molecular scale onwards. In the present contribution, it is highlighted that more recently developed event driven (kinetic) Monte Carlo models provide an interesting framework to grasp molecular variations over various length scales. The strength lies in the tracking of individual molecules per phase of interest so that interphase transfer events can be sampled based on the distributed nature of the (macro)molecules present. Hence, the micro‐scale of local concentrations and temperatures can be connected to the meso‐scale defining interphase transport and morphological variations, with an additional connection to the macro‐ or application scale within reach by adding macro‐scale transfer events to the overall sampling scheme. Starting from a benchmark coupled matrix based Monte Carlo (CMMC) study on the multiphase formation of engineering composites which explicitly acknowledges the type of (macro)molecules present in each phase, it is showcased that the CMMC framework can support the general field of energy and electronics applications. This is highlighted through (i) a case study devoted to the design of polymer electrolytes for batteries, and (ii) a case study on blend design for the regulated stretching of piezoresistive sensors.
Conserving Freshwater Ecosystems in India: A call to action
Authors: Arora R. , Balachander T. , Agrawal I. , Panda R. , Gupta D. , Kasturirangan A. , Vencatesan J. , Sivakumar K. , Kumar R. , Mathur V.B. , Chokkakula S. , Lal T. , Kaushal N. , Babu S. , Kiesecker J. 
Published: May 2024

Abstract
India boasts of a vast freshwater resource network (rivers, wetlands, and groundwater), which has unique ecological, social and economic values associated with it. Despite their importance for both people and biodiversity, its freshwater ecosystems (FWEs) are heavily impacted through multiple factors such as pollution, overexploitation, habitat loss/modification and climate change. India is also among the hotspots of water resource overuse that has caused a serious decline in freshwater availability.
Given that healthy FWEs lie at the centre for supporting the country's ecology, health, economy, livelihoods and ultimately achieving multiple policy goals, it is crucial that holistic and focused efforts are made to protect, conserve, and restore all types of FWEs.
We call for an urgent and a greater focus on implementing conservation actions for FWEs in India and suggest the following strategy to enhance focus on their conservation: (1) establishing a shared freshwater conservation vision at a national scale, (2) developing and including national freshwater conservation goals within global efforts, (3) conducting simultaneous conservation action planning at regional scales and (4) bridge planning to implementation gap by strengthening key enabling conditions: i) mainstream FWE conservation within key existing governance instruments, ii) secure sustainable conservation funding, iii) improve data access and knowledge translation; iv) create national awareness around importance of FWEs; v) facilitate collaboration among key actors.
Selective detection of azelnidipine in pharmaceuticals via carbon dot mediated spectrofluorimetric method: A green approach
Authors: Lodha Sandesh R. , Gore Anil H. , Merchant Jesika G. , Pillai Arya J. , Patel Hetal P. , Maulvi Furqan A. , Patil Pravin O. , Kalyankar Gajanan G. , Joshi Shrikant V. , Patel Paresh N. , Shah Shailesh A. , Shah Dinesh R. 
Published: May 2024

AbstractA spectrofluorimetric method using fluorescent carbon dots (CDs) was developed for the selective detection of azelnidipine (AZEL) pharmaceutical in the presence of other drugs. In this study, N‐doped CDs (N‐CDs) were synthesized through a single‐step hydrothermal process, using citric acid and urea as precursor materials. The prepared N‐CDs showed a highly intense blue fluorescence emission at 447 nm, with a photoluminescence quantum yield of ~21.15% and a fluorescence lifetime of 0.47 ns. The N‐CDs showed selective fluorescence quenching in the presence of all three antihypertensive drugs, which was used as a successful detection platform for the analysis of AZEL. The photophysical properties, UV–vis light absorbance, fluorescence emission, and lifetime measurements support the interaction between N‐CDs and AZEL, leading to fluorescence quenching of N‐CDs as a result of ground‐state complex formation followed by a static fluorescence quenching phenomenon. The detection platform showed linearity in the range 10–200 μg/ml (R2 = 0.9837). The developed method was effectively utilized for the quantitative analysis of AZEL in commercially available pharmaceutical tablets, yielding results that closely align with those obtained from the standard method (UV spectroscopy). With a score of 0.76 on the ‘Analytical GREEnness (AGREE)’ scale, the developed analytical method, incorporating 12 distinct green analytical chemistry components, stands out as an important technique for estimating AZEL.
Metabolic engineering of Aspergillus niger for accelerated malic acid biosynthesis by improving NADPH availability
Authors: Wu Na , Wu Xingyu , Zhang Mingyu , Zhang Chi , Xu Qing 
Published: May 2024

AbstractMicrobial production of L‐malic acid from renewable carbon sources has attracted extensive attention. The reduced cofactor NADPH plays a key role in biotransformation because it participates in both biosynthetic reactions and cellular stress responses. In this study, NADPH or its precursors nicotinamide and nicotinic acid were added to the fermentation medium of Aspergillus niger RG0095, which significantly increased the yield of malic acid by 11%. To further improve the titer and productivity of L‐malic acid, we increased the cytoplasmic NADPH levels of A. niger by upregulating the NAD kinases Utr1p and Yef1p. Biochemical analyses demonstrated that overexpression of Utr1p and Yef1p reduced oxidative stress, while also providing more NADPH to catalyze the conversion of glucose into malic acid. Notably, the strain overexpressing Utr1p reached a malate titer of 110.72 ± 1.91 g L−1 after 108 h, corresponding to a productivity of 1.03 ± 0.02 g L−1 h−1. Thus, the titer and productivity of malate were increased by 24.5% and 44.7%, respectively. The strategies developed in this study may also be useful for the metabolic engineering of fungi to produce other industrially relevant bulk chemicals.
Microalgae‐made human vaccines and therapeutics: A decade of advances
Authors: Trujillo Edgar , Monreal‐Escalante Elizabeth , Angulo Carlos 
Published: May 2024

AbstractMicroalgal emergence is a promising platform with two‐decade historical background for producing vaccines and biopharmaceuticals. During that period, microalgal‐based vaccines have reported successful production for various diseases. Thus, species selection is important for genetic transformation and delivery methods that have been developed. Although many vaccine prototypes have been produced for infectious and non‐infectious diseases, fewer studies have reached immunological and immunoprotective evaluations. Microalgae‐made vaccines for Staphylococcus aureus, malaria, influenza, human papilloma, and Zika viruses have been explored in their capacity to induce humoral or cellular immune responses and protective efficacies against experimental challenges. Therefore, specific pathogen antigens and immune system role are important and addressed in controlling these infections. Regarding non‐communicable diseases, these vaccines have been investigated for breast cancer; microalgal‐produced therapeutic molecules and microalgal‐made interferon‐α have been explored for hypertension and potential applications in treating viral infections and cancer, respectively. Thus, conducting immunological trials is emphasized, discussing the promising results observed in terms of immunogenicity, desired immune response for controlling affections, and challenges for achieving the desired protection levels. The potential advantages and hurdles associated with this innovative approach are highlighted, underlining the relevance of assessing immune responses in preclinical and clinical trials to validate the efficacy of these biopharmaceuticals. The promising future of this healthcare technology is also envisaged.
Protein loss during membrane processes in biopharmaceutical manufacturing
Authors: Na Jiwon , Behboudi Ali , Mun Jiwon , Jin Hoeun , Zydney Andrew L. , Baek Youngbin 
Published: May 2024

AbstractMaximizing product yield in biopharmaceutical manufacturing processes is a critical factor in determining the overall cost of goods, especially given the high value of these biological products. However, there has been relatively limited research on the quantitative analysis of protein losses due to adsorption and fouling during the different membrane filtration processes employed in typical downstream operations. This study aims to provide a comprehensive analysis of protein loss in the range of membrane systems used in downstream processing including clarification, virus removal filtration, ultrafiltration/diafiltration for formulation, and final sterile filtration, all using commercially available membranes with three model proteins (bovine serum albumin, human serum albumin, and immunoglobulin G). The correlation between protein loss and various parameters (i.e., protein type, protein concentration, throughput, membrane morphology, and protein removal mechanism) was also investigated. This study provides important insights into the nature of protein loss during membrane processes as well as a methodology for quantifying protein yield loss in bioprocesses.
Development of an engineered Bacillus subtilis strain for antibiotic‐free sucrose isomerase production
Authors: Li Mingyu , Ren Xiaopeng , Xu Ming , Dong Sitong , Li Xianzhen , Chen Xiaoyi , Wang Conggang , Yang Fan 
Published: May 2024

AbstractSucrose isomerase (SIase) catalyzes the hydrolysis and isomerization of sucrose into isomaltulose, a functional sugar extensively used in the food industry. However, the lack of safe and efficient heterologous expression systems for SIase has constrained its production and application. In this study, an engineered Bacillus subtilis strain for antibiotic‐free SIase production was developed via a food‐grade expression system. First, the B. subtilis strain TEA was modified through the CRISPR/Cas9 system, resulting in a mutant strain TEA4, which exhibited enhanced capabilities for recombinant protein expression. For efficient and safe production of SIase, different constitutive and inducible promoters were evaluated. The maltose‐inducible promoter Poglv was found to have an extracellular SIase activity of 21.7 U mL‐1 in engineered strain TEA4. Subsequent optimization of the culture medium further increased SIase activity to 26.4 U mL‐1 during shake flask cultivation. Eventually, using the crude enzyme solution of the engineered strain in biotransformation reactions resulted in a high yield of isomaltulose under high concentrations sucrose, achieving a maximum yield of 83.1%. These findings demonstrated an engineered B. subtilis strain for antibiotic‐free SIase production, paving the way for its scale‐up industrial production and application.
Bridging theory and practice: CFD simulation and interactive VR for conduction heat transfer learning
Authors: Alsurakji Ihab H. , El‐Qanni Amjad , Malhis Tariq , Ahmed Mohannad , Zayed Mohammad , Hmoudah Maryam , Ahmed Wael H. , Najjar Mohammad , Abuabiah Mohammad , Shaqour Bahaa 
Published: May 2024

AbstractSoftware simulation programs and virtual reality (VR) have become powerful tools for several educational purposes, and recently, they were used in a wide range of applications. In cases of inaccessibility to labs, workshops, or industries, as happened before in the coronavirus disease 2019 pandemic, these tools could be effectively integrated with practical lab experiments. In this study, a computational fluid dynamics (CFD) simulation and a VR module were utilized to simulate heat transfer by conduction through various experimental cases. The CFD simulation results were obtained using ANSYS/FLUENT software. Meantime, the experimental data were obtained by carrying out three experiments of heat conduction with different heat transfer rates through simple, composite, and different cross‐sectional area bars. At last, the experimental procedure and devices used were virtually constructed using SolidWorks software as three‐dimensional models, which were then extruded into VR and augmented reality models. It was found that the simulation results closely align with the experimental ones, and the temperature profile in both cases has the same behavior with small differences, which indicates the validity of the developed module to be used as a simulation of the actual experiments. In addition to improving knowledge of heat transfer principles, this combination of simulation and VR technology advances many Sustainable Development Goals (SDGs), including advancing quality education (SDG 4) and innovation in higher education (SDG 9). Additionally, this method assists in achieving the course learning objectives by mimicking real‐world lab experiments, guaranteeing that students graduate from the course with the required information and abilities.
Schiff‐Base Aluminum Complexes as Bifunctional Catalysts for the Selective Ring‐Opening Co‐Polymerization of Cyclohexene Oxide and Succinic Anhydride
Authors: Russo Simona , Isnard Florence , Costabile Chiara , Lamberti Marina , Mazzeo Mina 
Published: May 2024

AbstractThe ring‐opening copolymerization (ROCOP) of epoxides and cyclic anhydrides is emerging as a powerful method for the synthesis of polyesters with innovative structures and properties. In this work, a series of dialkyl‐aluminum complexes stabilized by Schiff‐base ligands with different functional side arms (pyridine, amine, or phosphine) and different substituents on the phenoxy moieties have been synthetized and tested as catalysts in the ROCOP of cyclohexene oxide (CHO) and succinic anhydride (SA). The selectivity of the catalysts in the ROCOP was significatively depending on the nature of the pendant arm and/ or of the substituents of the ligand framework. The complexes designed to have a dynamic coordination sphere in which the side arms simulate the role of a neutral cocatalyst favored the desired selectivity, giving poly(CHO‐alt‐SA) with narrow dispersity and negligible ether linkage. NMR investigations and DFT calculations rationalized the observed behavior.
Leakage characteristics of plug flow in the case of pipe leakage
Authors: Ren Tao , Ma Wenjun , Huang Jiangbei , Li Zhiwei , Sun Bin 
Published: May 2024

AbstractIn order to study the changes in two‐phase flow parameters after pipeline damage and the impact of gas injection on water leakage from damaged pipelines, experimental and simulation studies were conducted on the damaged pipelines. The main objective is to compare the void fraction in intact and damaged states and to investigate the factors influencing and variations in gas–liquid leakage flow rates. The results show that increasing the liquid superficial velocity can reduce the difference in void fraction distribution caused by different damage directions. The leakage flow rate is affected by the direction of damage and the superficial velocity of the respective phase. It has been discovered that gas injection in the pipeline can make it easier to find small‐area pipeline damage. The change rate of the volume void fraction shows different changes with the increase in gas proportion in different directions; the shape of the bubble has no bearing on this change.