bluuebunny/crossref_metadata_2025 huggingface dataset:
National Patterns of Outpatient Follow-Up Visits After Emergency Care for Acute Bronchiolitis
Authors: Shapiro Daniel J. , Bourgeois Florence T. , Fine Andrew M. , Hersh Adam L. , Coon Eric R. , Neuman Mark I. , Wu Ann Chen
Published: October 2023

This cohort study examines the frequency of postdischarge follow-up visits among US emergency department encounters for bronchiolitis and assesses whether follow-up was associated with decreased hospital reutilization or increased treatment with nonrecommended medications.
Validation of an in vivo transit dosimetry algorithm using Monte Carlo simulations and ionization chamber measurements
Authors: Sánchez‐Artuñedo David , Pié‐Padró Savannah , Hermida‐López Marcelino , Duch‐Guillén Maria Amor , Beltran‐Vilagrasa Mercè
Published: October 2023

Purpose

Transit dosimetry is a safety tool based on the transit images acquired during treatment. Forward‐projection transit dosimetry software, as PerFRACTION, compares the transit images acquired with an expected image calculated from the DICOM plan, the CT, and the structure set. This work aims to validate PerFRACTION expected transit dose using PRIMO Monte Carlo simulations and ionization chamber measurements, and propose a methodology based on MPPG5a report.

Methods

The validation process was divided into three groups of tests according to MPPG5a: basic dose validation, IMRT dose validation, and heterogeneity correction validation. For the basic dose validation, the fields used were the nine fields needed to calibrate PerFRACTION and three jaws‐defined. For the IMRT dose validation, seven sweeping gaps fields, the MLC transmission and 29 IMRT fields from 10 breast treatment plans were measured. For the heterogeneity validation, the transit dose of these fields was studied using three phantoms: 10 , 30 , and a 3 cm cork slab placed between 10 cm of solid water. The PerFRACTION expected doses were compared with PRIMO Monte Carlo simulation results and ionization chamber measurements.

Results

Using the 10 cm solid water phantom, for the basic validation fields, the root mean square (RMS) of the difference between PerFRACTION and PRIMO simulations was 0.6%. In the IMRT fields, the RMS of the difference was 1.2%. When comparing respect ionization chamber measurements, the RMS of the difference was 1.0% both for the basic and the IMRT validation. The average passing rate with a γ(2%/2 mm, TH = 20%) criterion between PRIMO dose distribution and PerFRACTION expected dose was 96.0% ± 5.8%.

Conclusion

We validated PerFRACTION calculated transit dose with PRIMO Monte Carlo and ionization chamber measurements adapting the methodology of the MMPG5a report. The methodology presented can be applied to validate other forward‐projection transit dosimetry software.
Tailored Broad‐Spectrum Emission in Hybrid Aggregation Induced Emission (AIE)‐MOFs: Boosting White Light Efficiency in Electrospun Janus Microfibers
Authors: Kachwal Vishal , Mollick Samraj , Tan Jin‐Chong
Published: October 2023

Advances in energy‐efficient lighting and display technologies demand innovative materials with tailored broad‐spectrum emission properties. Hybrid aggregation‐induced emission metal‐organic frameworks (AIE‐MOFs) offer a promising avenue, combining unique characteristics of organic and inorganic components to yield enhanced luminescence efficiency and robust material stability. The study introduces a spectrum of D (donor)‐A (acceptor) type AIE‐active ligands into MOFs, enabling tunable emission across the visible spectrum, thus underscoring the versatility of these hybridized MOF materials. The emission properties of AIE‐MOFs are further harnessed by integrating them into polymer matrices, resulting in high‐performance electrospun fibers with tunable emission. A significant achievement involves the fabrication of Janus‐type white light‐emitting AIE‐MOF fiber composites via side‐by‐side electrospinning, accomplishing a high quantum yield of 58%, which doubled the performance of homogeneous fibers. Complementing the experimental findings, micro‐Raman and nano‐Fourier transform infrared spectroscopy are employed as local spectroscopic probes, affording a deeper understanding of the material properties and the mechanisms contributing to enhance light emission. In the understanding, this study presents an unconventional implementation of hybrid AIE‐MOFs in Janus‐type structures for white light emission. It significantly improves the efficiency of white light sources in optoelectronics, charting a promising direction for future research in the emergent AIE‐MOF field.
Atomically Dispersed Cerium Sites Immobilized on Vanadium Vacancies of Monolayer Nickel‐Vanadium Layered Double Hydroxide: Accelerating Water Splitting Kinetics
Authors: Zeng Kai , Chao Ming , Tian Meng , Yan Jin , Rummeli Mark H. , Strasser Peter , Yang Ruizhi
Published: October 2023

Rational design of efficient single‐atom catalysts is a potential avenue to mitigate the sluggish oxygen evolution reaction (OER) kinetics. Adopting appropriate matrixes to stabilize the single‐atom active centers with the optimized geometric and electronic structure plays an essential role in enhancing catalytic activities. Herein, massive isolated Ce atoms are successfully anchored on monolayer nickel‐vanadium layered double hydroxide support (Ce SAs/m‐NiV LDH) via the vanadium defects trapping strategy, resulting in stabilized Ce single‐atom with the maximum loading of 8.07 wt.%. Benefitting from the strong synergetic electronic interaction between Ce single atoms and monolayer NiV LDH matrix, thus‐prepared catalyst possesses favorable OER (209 mV @ 10 mA cm−2) and water electrolysis performance (1.47 V @ 10 mA cm−2), surpassing other catalysts and even the commercial RuO2 catalyst. Density functional theory (DFT) calculations in combination with in situ electrochemical impedance spectroscopy analysis reveal that the immobilization of monatomic Ce can effectively narrow the band gap and strengthen the density states near the Fermi level as well as more easily adsorb the surficial OH–, leading to a lower charge transfer barrier and faster water splitting kinetics.
Injective Programmable Proanthocyanidin‐Coordinated Zinc‐Based Composite Hydrogel for Infected Bone Repair
Authors: Wang Yue , Zhao Yitao , Ma Shiyuan , Fu Meimei , Wu Min , Li Jintao , Wu Keke , Zhuang Xiuli , Lu Zhihui , Guo Jinshan
Published: October 2023

Effectively integrating infection control and osteogenesis to promote infected bone repair is challenging. Herein, injective programmable proanthocyanidin (PC)‐coordinated zinc‐based composite hydrogels (ipPZCHs) are developed by compositing antimicrobial and antioxidant PC‐coordinated zinc oxide (ZnO) microspheres with thioether‐grafted sodium alginate (TSA), followed by calcium chloride (CaCl2) crosslinking. Responsive to the high endogenous reactive oxygen species (ROS) microenvironment in infected bone defects, the hydrophilicity of TSA can be significantly improved, to trigger the disintegration of ipPZCHs and the fast release of PC‐coordinated ZnOs. This together with the easily dissociable PC‐Zn2+ coordination induced fast release of antimicrobial zinc (Zn2+) with/without silver (Ag+) ions from PC‐coordinated ZnOs (for Zn2+, > 100 times that of pure ZnO) guarantees the strong antimicrobial activity of ipPZCHs. The exogenous ROS generated by ZnO and silver nanoparticles during the antimicrobial process further speeds up the disintegration of ipPZCHs, augmenting the antimicrobial efficacy. At the same time, ROS‐responsive degradation/disintegration of ipPZCHs vacates space for bone ingrowth. The concurrently released strong antioxidant PC scavenges excess ROS thus enhances the immunomodulatory (in promoting the anti‐inflammatory phenotype (M2) polarization of macrophages) and osteoinductive properties of Zn2+, thus the infected bone repair is effectively promoted via the aforementioned programmable and self‐adaptive processes.
High‐Performing and Capacitive‐Matched Triboelectric Implants Driven by Ultrasound
Authors: Kim Young‐Jun , Lee Jiho , Hwang Joon‐Ha , Chung Youngwook , Park Byung‐Joon , Kim Junho , Kim So‐Hee , Mun Junseung , Yoon Hong‐Joon , Park Sung‐Min , Kim Sang‐Woo
Published: October 2023

In implantable bioelectronics, which aim for semipermanent use of devices, biosafe energy sources and packaging materials to protect devices are essential elements. However, research so far has been conducted in a direction where they cannot coexist. Here, the development of capacitance‐matched triboelectric implants driven is reported by ultrasound under 500 mW cm−2 safe intensity and realize a battery‐free, miniatured, and wireless neurostimulator with full titanium (Ti) packaging. The triboelectric implant with high dielectric composite, which has ultralow output impedance, can efficiently deliver sufficient power to generate the stimulation pulse without an energy‐storing battery, despite ultrasound attenuation due to the Ti, and has the highest energy transmission efficiency among those reported so far. In vivo study using a rat model demonstrated that the proposed device system is an effective solution for relieving urinary symptoms. These achievements provide a significant step toward permanently implantable devices for controlling human organs and treating various diseases.
Efficient Frequency Upconversion Photodetection in Heterojunction of InSe and Silicon Photonic Crystal Cavity
Authors: Chen Xiaoqing , Ji Yingke , Wang Jianguo , Wu Xianghu , Luo Zheng‐Dong , Liu Yan , Zhao Jianlin , Gan Xuetao
Published: October 2023

Frequency upconversion photodetection by two‐dimensional (2D) materials with nonlinear optical response is an appealing technique for applications such as extending photodetection wavelength range, autocorrelation measurement, and high‐efficiency single photon detection. However, the frequency upconversion efficiency in 2D materials is limited due to the low efficiency of nonlinear optical processes and atomic light‐matter interaction length. Here, the efficient frequency upconversion photodetection is realized by van der Waals (vdW) integration of a few‐layer InSe with a silicon photonic crystal cavity (Si‐PPC). With the large second‐order nonlinearity of InSe and enhanced light‐matter interaction by Si‐PCC, continuous wave (CW) pumped second harmonic generation (SHG) is demonstrated with pump power down to 100 µW. Further, InSe and Si absorb the SHG photons and generate photocarriers which are separated and collected by the n‐InSe/p‐Si heterojunction. A frequency upconversion photoresponsivity of 16 µA W−1 with a CW laser at 1467 nm is obtained. More efficient SHG with pulsed laser improves the responsivity to 3.9 mA W−1 with quadratic power dependence, which is record‐high among the frequency upconversion photodetectors based on 2D materials. This work opens up opportunities for a high‐efficiency 2D material nonlinear photodetector integrated on photonic integrated circuits.
Light‐induced FeCl3‐catalyzed selective benzyl C−H chlorination with trifluoromethanesulfonyl chloride
Authors: Yang Chen‐Xi , Liu De‐Guang , Li Li‐Juan , Zhang Yu‐Xing , Xia Xi‐Rui , Jiang Hong , Cheng Wan‐Min
Published: October 2023

Here we report a light‐induced FeCl3‐catalyzed approach for benzyl C−H chlorination with remarkable regioselectivity, which enables alkylbenzenes to be converted into versatile benzyl chlorides under mild conditions using trifluoromethanesulfonyl chloride (TfCl) as the chlorine source. DFT calculations show that the dynamics preference of benzylic α−C−H chlorination is more pronounced by employing TfCl.
mRNA‐based Vaccines Targeting the T‐cell Epitope‐rich Domain of Epstein Barr Virus Latent Proteins Elicit Robust Anti‐Tumor Immunity in Mice
Authors: Zhao Ge‐Xin , Bu Guo‐Long , Liu Gang‐Feng , Kong Xiang‐Wei , Sun Cong , Li Zi‐Qian , Dai Dan‐Ling , Sun Hai‐Xia , Kang Yin‐Feng , Feng Guo‐Kai , Zhong Qian , Zeng Mu‐Sheng
Published: October 2023

Epstein‐Barr virus (EBV) is associated with various malignancies and infects >90% of the global population. EBV latent proteins are expressed in numerous EBV‐associated cancers and contribute to carcinogenesis, making them critical therapeutic targets for these cancers. Thus, this study aims to develop mRNA‐based therapeutic vaccines that express the T‐cell‐epitope‐rich domain of truncated latent proteins of EBV, including truncatedlatent membrane protein 2A (Trunc‐LMP2A), truncated EBV nuclear antigen 1 (Trunc‐EBNA1), and Trunc‐EBNA3A. The vaccines effectively activate both cellular and humoral immunity in mice and show promising results in suppressing tumor progression and improving survival time in tumor‐bearing mice. Furthermore, it is observed that the truncated forms of the antigens, Trunc‐LMP2A, Trunc‐EBNA1, and Trunc‐EBNA3A, are more effective than full‐length antigens in activating antigen‐specific immune responses. In summary, the findings demonstrate the effectiveness of mRNA‐based therapeutic vaccines targeting the T‐cell‐epitope‐rich domain of EBV latent proteins and providing new treatment options for EBV‐associated cancers.
Metallic Micro‐Nano Network‐Based Soft Transparent Electrodes: Materials, Processes, and Applications
Authors: Chen Liyang , Khan Arshad , Dai Shuqin , Bermak Amine , Li Wen‐Di
Published: October 2023

Soft transparent electrodes (TEs) have received tremendous interest from academia and industry due to the rapid development of lightweight, transparent soft electronics. Metallic micro‐nano networks (MMNNs) are a class of promising soft TEs that exhibit excellent optical and electrical properties, including low sheet resistance and high optical transmittance, as well as superior mechanical properties such as softness, robustness, and desirable stability. They are genuinely interesting alternatives to conventional conductive metal oxides, which are expensive to fabricate and have limited flexibility on soft surfaces. This review summarizes state‐of‐the‐art research developments in MMNN‐based soft TEs in terms of performance specifications, fabrication methods, and application areas. The review describes the implementation of MMNN‐based soft TEs in optoelectronics, bioelectronics, tactile sensors, energy storage devices, and other applications. Finally, it presents a perspective on the technical difficulties and potential future possibilities for MMNN‐based TE development.
Oral Immunotherapy Reshapes Intestinal Immunosuppression via Metabolic Reprogramming to Enhance Systemic Anti‐Tumor Immunity
Authors: Cao Xinran , Xu Yuan , Zhou Chen , Huo Jiawei , Su Shenge , Liu Lei , Zhu Ziran , Li Lei , Jia Wang , Wang Chunru , Zhen Mingming
Published: October 2023

Tumor immunotherapy offers a new paradigm to treat cancer; however, the existing regimens are accompanied by the dilemma of insufficient therapeutic outcomes and off‐target adverse effects. The intestinal immune system contains a bulk of immune cells, which can be important contributors to the maintenance of systemic immune homeostasis. However, manipulating intestinal immunity to achieve systemic anti‐tumor immunity is extremely challenging. Here, an oral immunotherapy strategy is reported using immune‐enhancing fullerenes (IEF) that can reinvigorate anti‐tumor immunity via immune cell‐metabolic reprogramming of intestinal immune cells. Findings show that IEF can remodel anti‐inflammatory macrophages into tumor‐killing macrophages by regulating the energy metabolism pathway from oxidative phosphorylation (OXPHOS) to glycolysis. Consequently, IEF can reprogram the immunosuppressive intestinal immunity and enhance sys temic immunity in vivo, thereby boosting anti‐tumor immunity and converting “cold” tumors into “hot” tumors. Oral immunotherapy strategy, modulating autoimmune cells in the intestine and achieving systemic anti‐tumor immunity, can ensure safe and efficient tumor immunotherapy.
Continuous Spinning of High‐Tough Hydrogel Fibers for Flexible Electronics by Using Regional Heterogeneous Polymerization
Authors: Wu Shaoji , Gong Caihong , Wang Zichao , Xu Sijia , Feng Wen , Qiu Zhiming , Yan Yurong
Published: October 2023

Hydrogel fibers have attracted substantial interest for application in flexible electronics due to their ionic conductivity, high specific surface area, and ease of constructing multidimensional structures. However, universal continuous spinning methods for hydrogel fibers are yet lacking. Based on the hydrophobic mold induced regional heterogeneous polymerization, a universal self‐lubricating spinning (SLS) strategy for the continuous fabrication of hydrogel fibers from monomers is developed. The universality of the SLS strategy is demonstrated by the successful spinning of 10 vinyl monomer‐based hydrogel fibers. Benefiting from the universality of the SLS strategy, the SLS strategy can be combined with pre‐gel design and post‐treatment toughening to prepare highly entangled polyacrylamide (PAM) and ionic crosslinked poly(acrylamide‐co‐acrylic acid)/Fe3+ (W‐PAMAA/Fe3+) hydrogel fibers, respectively. In particular, the W‐PAMAA/Fe3+ hydrogel fiber exhibited excellent mechanical properties (tensile stress > 4 MPa, tensile strain > 400%) even after 120 days of swelling in the pH of 3–9. Furthermore, owing to the excellent multi‐faceted performance and one‐dimensionality of W‐PAMAA/Fe3+ hydrogel fibers, flexible sensors with different dimensions and functions can be constructed bottom‐up, including the one‐dimensional (1D) strain sensor, two‐dimensional (2D) direction sensor, three‐dimensional (3D) pressure sensor, and underwater communication sensor to present the great potential of hydrogel fibers in flexible electronics.
High Performance Air‐Processed Organic Photovoltaic Modules (≈55 cm2) with an Efficiency of >17.50% by Employing Halogen‐Free Solvent Processed Polymer Donors
Authors: Gokulnath Thavamani , Kim Hyerin , Lee Jieun , Cho Bo Hyeon , Park Ho‐Yeol , Jee Jesung , Kim Young Yong , Kranthiraja Kakaraparthi , Yoon Jinhwan , Jin Sung‐Ho
Published: October 2023

Organic photovoltaic (OPV) sub‐modules shall be feasible for production using halogen‐free solvents in air,high power conversion efficiencies (PCEs), and long‐term stability, which are challenging requirements. To achieve this goal, air‐processed OPVs are fabricated by employing a synthesized set of π‐conjugated polymers, NAP‐T‐SiBTZ (P1) and NAP‐TT‐SiBTZ (P2), with thiophene and thienothiophene π‐spacers, respectively. P1 and P2 incorporated ternary OPVs show excellent PCEs and are used to produce small‐area, sub‐module air‐processed devices using o‐xylene as the solvent. Interestingly, P2‐added ternary devices has remarkable PCEs of 17.62% (PM6:P2:Y7) and 17.96% (PM6:P2:L8‐BO), which is the highest reported for air‐processed OPVs. . Notably, P2‐associated ternary blends exhibit a nano‐morphology, increased charge carrier mobilities, exciton dissociation, and decreased non‐geminate recombination, which are deemed responsible for the enhanced PCEs observed. In addition, P2 demonstrates high efficiency for a thick‐film device (>300 nm), with a PCE of >16.50%. Notably, a 55 cm2 sub‐module produced by bar coating using o‐xylene in open air has a PCE of 13.88%. Additionally, P2‐containing devices demonstrate impressive thermal and photo‐stabilities. This study shows the potential of an OPV that may be used to produce low‐cost solar cell sub‐module at low cost with exceptional commercial value.
Association between capnography and recovery time after procedural sedation and analgesia in the emergency department
Authors: Shirane Shogo , Funakoshi Hiraku , Takahashi Jin , Homma Yosuke , Norii Tatsuya
Published: October 2023

Aim

Capnography is recommended for use in procedural sedation and analgesia (PSA); however, limited studies assess its impact on recovery time. We investigated the association between capnography and the recovery time of PSA in the emergency department (ED).

Methods

This study was a secondary analysis of a multicenter PSA patient registry including eight hospitals in Japan. We included all patients who received PSA in the ED between May 2017 and May 2021 and divided the patients into capnography and no‐capnography groups. The primary outcome was recovery time, defined as the time from the end of the procedure to the cessation of monitoring. The log‐rank test and multivariable analysis using clustering for institutions were performed.

Results

Of the 1265 screened patients, 943 patients who received PSA were enrolled and categorized into the capnography (n = 150, 16%) and no‐capnography (n = 793, 84%) groups. The median recovery time was 40 (interquartile range [IQR]: 25–63) min in the capnography group and 30 (IQR: 14–55) min in the no‐capnography group. In the log‐rank test, the recovery time was significantly longer in the capnography group (p = 0.03) than in the no‐capnography group. In the multivariable analysis, recovery time did not differ between the two groups (adjusted hazard ratio, 0.95; 95% confidence interval, 0.77–1.17; p = 0.61).

Conclusion

In this secondary analysis of the multicenter registry of PSA in Japan, capnography use did not associate with shorter recovery time in the ED.
Luminescent and Photoredox‐Active Molybdenum(0) Complexes Competitive with Isoelectronic Ruthenium(II) Polypyridines
Authors: Jin Tao , Wagner Dorothee , Wenger Oliver S.
Published: October 2023

Ruthenium(II) complexes with chelating polypyridine ligands are among the most frequently investigated compounds in photophysics and photochemistry, owing to their favorable luminescence and photoredox properties. Equally good photoluminescence performance and attractive photocatalytic behavior is now achievable with isoelectronic molybdenum(0) complexes. The zero‐valent oxidation state of molybdenum is stabilized by carbonyl or isocyanide ligands, and metal‐to‐ligand charge transfer (MLCT) excited states analogous to those in ruthenium(II) complexes can be established. Microsecond MLCT excited‐state lifetimes and photoluminescence quantum yields up to 0.2 have been achieved in solution at room temperature, and the emission wavelength has become tunable over a large range. The molybdenum(0) complexes are stronger photoreductants than ruthenium(II) polypyridines and can therefore perform more challenging chemical reductions. The triplet nature of their luminescent MLCT states allows sensitization of photon upconversion via triplet‐triplet annihilation, to convert low‐energy input radiation into higher‐energy output fluorescence. This review summarizes the current state of the art concerning luminescent molybdenum(0) complexes and highlights their application potential. Molybdenum is roughly 140 times more abundant and far cheaper than ruthenium, hence this research is relevant in the greater context of finding more sustainable alternatives to using precious and rare transition metals in photophysics and photochemistry.
Favoring CO Intermediate Stabilization and Protonation by Crown Ether for CO2 Electromethanation in Acidic Media
Authors: Xu Keqiang , Li Jinhan , Liu Fangming , Chen Xijie , Zhao Tete , Cheng Fangyi
Published: October 2023

The large‐scale deployment of CO2 electroreduction is hampered by deficient carbon utilization in neutral and alkaline electrolytes due to CO2 loss into (bi)carbonates. Switching to acidic media mitigates carbonation, but suffers from low product selectivity because of hydrogen evolution. Here we report a crown ether decoration strategy on a Cu catalyst to enhance carbon utilization and selectivity of CO2 methanation under acidic conditions. Macrocyclic 18‐Crown‐6 is found to enrich potassium cations near the Cu electrode surface, simultaneously enhancing the interfacial electric field to stabilize the *CO intermediate and accelerate water dissociation to boost *CO protonation. Remarkably, the mixture of 18‐Crown‐6 and Cu nanoparticles affords a CH4 Faradaic efficiency of 51.2 % and a single pass carbon efficiency of 43.0 % toward CO2 electroreduction in electrolyte with pH=2. This study provides a facile strategy to promote CH4 selectivity and carbon utilization by modifying Cu catalysts with supramolecules.
Aqua‐mediated in situ synthesis of highly potent phosphorous functionalized flame retardant for cotton fabric
Authors: Dhumal Pratik S. , Lokhande Kshama D. , Bondarde Mahesh P. , Bhakare Madhuri A. , Some Surajit
Published: October 2023

Flame retardancy in various materials is becoming an increasingly important performance feature. In the textile industries, fire‐related problems have become an important concern over the decade. Herein, the polyvinyl alcohol (PVA) and graphene‐supported material were functionalized with trimethyl phosphate (TMP) for the synthesis of flame retardant (FR) composite material [graphene polymer functionalized trimethyl phosphate (GPTMP)] in the aqueous medium, which improves the stability of cotton fabric against flame. Graphene and PVA fabricated with phosphorus functional groups make the fabric more comfortable against fire and help to avoid further spreading of fire. The composite‐coated fabric sustains for a long time on continuous flame with maintaining its initial shape and size. The GPTMP‐coated fabric shows flame retardancy for up to 540 s on constant flame exposure, whereas control samples such as PVA‐, graphene oxide‐, and TMP‐coated fabrics resist for up to 15, 20, and 14 s, respectively. The limiting oxygen index (LOI) and vertical flammability test (VFT) for synthesized composites were performed to confirm and support the flame retardancy property of GPTMP. The GPTMP shows the 35% LOI value and forms the char length of 2.6 cm during VFT. This work provides a simple and eco‐friendly method to obtain novel GPTMP, which has a high potential as a FR for different fabrics, including cotton.
Biopolymer‐assisted Synthesis of P‐doped TiO2 Nanoparticles for High‐performance Lithium‐ion Batteries: A Comprehensive Study
Authors: El Halya Nabil , Aqil Mohamed , El Ouardi Karim , Bano Amreen , El Bendali Ayoub , Hdidou Loubna , Amine Rachid , Son Seoung‐Bum , Ghamouss Fouad , Major Dan Thomas , Amine Khalil , Alami Jones , Dahbi Mouad
Published: October 2023

TiO2 material has gained significant attention for large‐scale energy storage due to its abundant, low‐cost, and environmentally friendly properties, as well as the availability of various nanostructures. Phosphorus doping has been established as an effective technique for improving electronic conductivity and managing the slow ionic diffusion kinetics of TiO2. In this study, non‐doped and phosphorus doped TiO2 materials were synthesized using sodium alginate biopolymer as chelating agent. The prepared materials were evaluated as anode materials for lithium‐ion batteries (LIBs). The electrodes exhibit remarkable electrochemical performance, including a high reversible capacity of 235 mAh g−1 at 0.1 C and excellent first coulombic efficiency of 99 %. An integrated approach, combining operando XRD and ex‐situ XAS, comprehensively investigates the relationship between phosphorus doping, material structure, and electrochemical performance, reinforced by analytical tools and first principles calculations. Furthermore, a full cell was designed using 2 %P‐doped TiO2 anode and LiFePO4 cathode. The output voltage was about 1.6 V with high initial specific capacity of 148 mAh g−1, high rate‐capability of 120 mAh g−1 at 1 C, and high‐capacity retention of 96 % after 1000 cycles at 1 C.
The impact of student conduct problems on teacher wellbeing following the onset of the Covid‐19 pandemic: An Interpretative Phenomenological Analysis
Authors: Oxley Laura , Asbury Kathryn , Kim Lisa E.
Published: October 2023

Given the recruitment and retention crisis within the teaching profession, it is essential that the factors contributing to this are examined. Studies suggest that there has been a general decline in teacher wellbeing since the onset of the Covid‐19 pandemic, and student conduct problems are known to be a key negative contributor to poor teacher wellbeing. This study examines how student conduct problems influenced teachers’ wellbeing following the onset of the Covid‐19 pandemic. Specifically, it explores the extent to which student behaviour was seen as changing during the pandemic, and how this may have had an impact on teachers’ wellbeing. Nine participants took part in this study. All the participants were teachers in schools in England (four primary and five secondary; nine female). The data were collected via semi‐structured virtual interviews. Using a qualitative approach, the study undertook an in‐depth analysis of the interview data using Interpretative Phenomenological Analysis. The findings suggest that the teachers experienced an increase in student conduct problems following the onset of the pandemic and that this negatively affected wellbeing for some. The teachers also reported an increased need for student support and differential needs for different groups of students. It is important that consideration is given as to how teachers can be effectively supported to manage student conduct problems and the potential impact of these on their wellbeing, particularly since the onset of the pandemic.
Advances in biosynthesis of peptide drugs: Technology and industrialization
Authors: Wang Jing , Chen Long , Qin Song , Xie Mingyuan , Luo Shi‐Zhong , Li Wenjun
Published: October 2023

Peptide drugs are developed from endogenous or synthetic peptides with specific biological activities. They have advantages of strong target specificity, high efficacy and low toxicity, thus showing great promise in the treatment of many diseases such as cancer, infections, and diabetes. Although an increasing number of peptide drugs have entered market in recent years, the preparation of peptide drug substances is yet a bottleneck problem for their industrial production. Comparing to the chemical synthesis method, peptide biosynthesis has advantages of simple synthesis, low cost, and low contamination. Therefore, the biosynthesis technology of peptide drugs has been widely used for manufacturing. Herein, we reviewed the development of peptide drugs and recent advances in peptide biosynthesis technology, in order to shed a light to the prospect of industrial production of peptide drugs based on biosynthesis technology.
Combining experiments, theory, and computer simulation: Application of dynamics analysis of unbalanced wheels rolling without sliding on horizontal paths
Authors: de Oliveira Cafiero Caio , Baldit Adrien , Landier Joël , Rimbert François
Published: October 2023

Rigid solid body dynamics is a key element of the undergraduate mechanical engineering curriculum. In a context of reverse engineering and/or sustainable development, being able to analyze the mechanical and material properties of a system without damaging it is a required skill. In this work, two systems based on wheels rolling over horizontal paths without sliding are studied: an unbalanced hollow cylinder and a wheel with displaced mass assembly. Four generations of last year's bachelor's students in mechanical engineering, representing a hundred people a year, followed a total of 12 h of practical sessions working on such systems. Without focusing on the programming part, this paper aims at showing how computer tools can help and improve a rigid solid body dynamics course. The objectives were to develop, apply, and analyze this teaching sequence, allowing students to (i) perform and characterize experimental measurements, (ii) establish systems motion equations, and (iii) think about dynamics results through cross‐talks between different techniques such as geometrical and analytical methods as well as computer‐assisted design tools. Different analysis methods of these systems could be discussed in the context of the classes, successfully bringing pertinent reflections to the students. The possibility of transferring such discussions to other contexts proved to be wide, thanks to computer science, dynamics software, other analysis methods and applications.
Long‐term outcomes after transcatheter aortic valve replacement: Meta‐analysis of Kaplan−Meier‐derived data
Authors: Shimamura Junichi , Takemoto Sho , Fukuhara Shinichi , Miyamoto Yoshihisa , Yokoyama Yujiro , Takagi Hisato , Kampaktsis Polydoros N. , Kolte Dhaval , Grubb Kendra J. , Kuno Toshiki , Latib Azeem
Published: October 2023

Background

Transcatheter aortic valve replacement (TAVR) is as an alternative treatment to surgical AVR, but the long‐term outcomes of TAVR remain unclear.

Aims

This study aimed to analyze long‐term outcomes following TAVR using meta‐analysis.

Methods

A literature search was performed with MEDLINE, EMBASE, Cochrane Library, Web of Science, and Google Scholar through November 2022; studies reporting clinical outcomes of TAVR with follow‐up periods of ≥8 years were included. The outcomes of interest were overall survival and/or freedom from structural valve deterioration (SVD). Surgical risk was assessed with the Society of Thoracic Surgeons (STS) predicted risk of mortality (PROM) score. A subgroup analysis was conducted for intermediate‐/high‐surgical risk patients only.

Results

Eleven studies including 5458 patients were identified and analyzed. The mean age was 82.0 ± 6.5 years, and mean STS PROM score ranged from 2.9 to 10.6%. Survival rate at 5 and 10 years was 47.7% ± 1.4% and 12.1 ± 2.0%. Five studies including 1509 patients were analyzed for SVD. Freedom from SVD at 5 and 8 years was 95.5 ± 0.7% and 85.1 ± 3.1%. Similar results for survival and SVD were noted in the subgroup analysis of intermediate‐/high‐risk patients.

Conclusions

Following TAVR, approximately 88% of patients died within 10 years, whereas 85% were free from SVD at 8 years. These date suggest that baseline patient demographic have the greatest impact on survival, and SVD does not seem to have a prognostic impact in this population. Further investigations on longer‐term outcomes of younger and lower‐risk patients are warranted.
Tuning Symmetry‐Breaking Charge Transfer by Altering Connectivity Between Anthracene Chromophores
Authors: Kang Byeongjoo , Kim Woojae
Published: October 2023

In this study, we report on the dynamics of symmetry‐breaking charge transfer (SB‐CT) in a specific derivative of bianthracene, 9,9’,10,10’‐tetraphenyl‐2,2’‐bianthracene (TPBA). Unlike the conventional 9,9’‐bianthracene, TPBA exhibits a notably planar structure due to reduced steric hindrance between anthracene chromophores. This structural characteristic results in a pronounced short‐range charge transfer coupling, driven by substantial overlap integrals of hole and electron. This is in contrast to the 9,9’‐bianthracene case, where long‐range Coulombic coupling dominates while minimizing short‐range interactions. Consequently, TPBA reveals an adiabatic mixture between locally‐excited and charge‐transfer diabats, where the extent of their contributions is modulated by the dielectric properties of the surrounding environment. Furthermore, our investigation reveals that the SB‐CT reaction in TPBA is mainly influenced by solvation dynamics, akin to other molecules displaying SB‐CT. Additionally, the dynamics of triplet formation in TPBA vary depending on the solvent polarity. These findings underscore the significance of chromophore connectivity in efficiently manipulating excited‐state potential energy landscapes.
Electron‐Deficient Phenanthrenequinone Derivative for Photoactivated Hydrogen Atom Transfer Mediated Oxidation of Secondary Alcohols
Authors: Talvitie Juulia , Alanko Iida , Lenarda Anna , Durandin Nikita , Tkachenko Nikolai , Nieger Martin , Helaja Juho
Published: October 2023

The Front Cover image is provided by Juulia Talvitie, University of Helsinki (Finland) and Dr. Juan Cruz Landoni, EPFL (Switzerland). The image illustrates the mechanistic difference between two quinonic photocatalysts, PQ and PQ‐CF3. PQ‐CF3 favors hydrogen atom transfer, whereas PQ is an efficient single electron transfer catalyst. Read the full text of the Research Article at 10.1002/cptc.202300107.
Analysis of the 2OG‐Fe (II) oxygenase family reveals new insights associated with flowering regulation in Saccharum spontaneum
Authors: Shen Wenlong , Lin Pingping , Yu Zehuai , Yao Wei , Deng Zuhu , Zhang Muqing , Yu Fan
Published: October 2023

Plant flowering is a crucial phenomenon affecting crop yield and crossbreeding. Saccharum spontaneum is the closest wild relative sugarcane species widely used in sugarcane genetic improvement. However, the molecular interactions among the components of the flowering regulatory network of S. spontaneum are still unclear. In this study, we conducted a transcriptome sequencing approach to analyze the expressed genes on four developmental stages of panicle samples in S. spontaneum. The weighted gene co‐expression network analysis (WGCNA) results suggested that genes from the MEred (p = 3 × 10−4) module were significantly enriched in pathways of ABC transporters, photosynthesis, and circadian rhythm‐plant. Thus, 23 genes associated with flower development‐related genes were screened, including 7 AGL24, 1 FLC, 3 VIN3, 3 GA20ox, and 9 ELF3. In the gibberellic acid (GA) synthesis pathway, GA20ox, GA3ox, and GA2ox were the three enzymes that catalyzed later reactions of GA biosynthesis and belong to the 2‐oxoglutarate Fe (II) oxygenase (2OG) superfamily. Flavonoid synthesis was promoted by 2‐oxoglutarate Fe (II) oxygenase genes, a flowering hormone, which catalyzed and oxidized naringenin to dihydrokaempferol, an important precursor of florigen. Genome‐wide analysis revealed that 122 Ss2OG genes were identified in S. spontaneum, of which 99 genes were enriched in the panicle transcriptome. Furthermore, a quantitative reverse transcription polymerase chain reaction analysis showed that Ss2OG‐FeII_Oxy90, Ss2OG‐FeII_Oxy47, and Ss2OG‐FeII_Oxy89 could introduce the flower development, while Ss2OG‐FeII_Oxy34, Ss2OG‐FeII_Oxy37, and Ss2OG‐FeII_Oxy50 inhibited it. These findings provide new clues and resources for exploring the molecular mechanism of flowering regulation in S. spontaneum and promoting sugarcane breeding.
Screening and Discovery of Metal Compound Active Sites for Strong and Selective Adsorption of N2 in Air
Authors: Tian Nianhan , Comer Benjamin M. , Medford Andrew J.
Published: October 2023

Photocatalytic nitrogen fixation has the potential to provide a greener route for producing nitrogen‐based fertilizers under ambient conditions. Computational screening is a promising route to discover new materials for the nitrogen fixation process, but requires identifying “descriptors” that can be efficiently computed. In this work, we argue that selectivity toward the adsorption of molecular nitrogen and oxygen can act as a key descriptor. A catalyst that can selectively adsorb nitrogen and resist poisoning of oxygen and other molecules present in air has the potential to facilitate the nitrogen fixation process under ambient conditions. We provide a framework for active site screening based on multifidelity density functional theory (DFT) calculations for a range of metal oxides, oxyborides, and oxyphosphides. The screening methodology consists of initial low‐fidelity fixed geometry calculations and a second screening in which more expensive geometry optimizations were performed. The approach identifies promising active sites on several TiO2 polymorph surfaces and a VBO4 surface, and the full nitrogen reduction pathway is studied with the BEEF‐vdW and HSE06 functionals on two active sites. The findings suggest that metastable TiO2 polymorphs may play a role in photocatalytic nitrogen fixation, and that VBO4 may be an interesting material for further studies.
Effect of Guest Solvents on the Ionic Conductivity and Electrochemical Performance of Metal‐Organic Framework‐Based Magnesium Semi‐Solid Electrolytes
Authors: Hassan Hagar K. , Hoffmann Paul , Jacob Timo
Published: October 2023

Developing suitable electrolytes is crucial for the advancement of rechargeable magnesium batteries. Recently, metal‐organic frameworks (MOFs) have shown a great interest in the field of solid electrolytes for metal ion batteries. However, the ionic conductivity as well as the electrolyte stability in the presence of Mg electrodes are shown to be strongly dependent on the guest solvent used to solvate Mg salts in MOFsSEs. Our measurements showed that full evacuation of the MOF structure before semi‐solid electrolytes (sSEs) preparation is crucial for achieving relatively low Mg overpotentials regardless of the ionic conductivity values. Moreover, the behavior of the anode/MOFsSEs interfaces (MOF: α‐Mg3[HCOO]6; Mg salt : MgCl2‐Mg[TFSI]2 (1 : 1 wt %); guest solvent: acetone, DMF, DEG, DME and tetraglyme) was investigated by EIS, CV and galvanostatic measurements. The current comparative study of the electrochemical deposition processes of magnesium from MOFsSEs revealed that magnesium deposition/dissolution reactions vary depending on the MOF structure, the guest anion species as well as the nature of the guest solvents.
Production of Oximes Directly from Sustainable Lignocellulose‐Derived Aldehydes and Ammonia over HTS‐1 Catalyst
Authors: Zheng Wanping , Feng Shanshan , Hu Changwei
Published: October 2023

Oxime chemicals are the building blocks of many anticancer drugs and widely used in industry and laboratory. A simple but robust hierarchically porous zeolite (HTS‐1) catalyst was prepared by hydrothermal methods and used for the preparation of vanillin oxime from vanillin in NH3 ⋅ H2O/DIO (v/v 1/10) system. The results of the catalyst characterization showed that the larger pore size and more framework Ti were conducive to promote the transformation of the substrates. The conversion of vanillin and the yield of vanillin oxime were both higher than 99 % under optimized reaction conditions. It was found that the reaction proceeded by oxidation of NH3 to hydroxylamine (NH2OH), and oximation of hydroxylamine with vanillin to obtain vanillin oxime, where the rate‐controlling step was the hydroxylamine formation, and the apparent activation energy was 26.22 kJ/mol. The corresponding oximation products could also be obtained by extending this method to other compounds derived from lignin. Furthermore, the catalytic system was used directly to the conversion of birch biomass to obtain oxime products such as vanillin oxime, syringaldehyde oxime, and furfural oxime etc. This work might give insights into the sustainable production of N‐containing high‐value products from lignocellulose.
Clinical usefulness of inside stents in anastomotic biliary strictures after liver transplantation
Authors: Kugiyama Naotaka , Hashigo Shunpei , Nagaoka Katsuya , Watanabe Takehisa , Ushijima Shinya , Uramoto Yukiko , Yoshinari Motohiro , Morinaga Jun , Gushima Ryosuke , Tateyama Masakuni , Tanaka Motohiko , Naoe Hideaki , Sugawara Yasuhiko , Hibi Taizo , Tanaka Yasuhito
Published: October 2023

Background

Endoscopic biliary stenting is a standard treatment for biliary strictures after liver transplantation. Plastic stents are often replaced before stent dysfunction to prevent the development of cholangitis and jaundice. Therefore, the precise duration of stent patency is unclear.

Methods

We compared retrospectively the stent patency period and stent dysfunction rate between inside stents (IS) and conventional plastic stents (PS) in 48 patients with post‐transplant strictures, distinguishing endoscopic biliary stenting with and without stent dysfunction at stent replacement.

Results

In observations focused on the first treatment, the median patency periods were 369 days for IS (n = 18) and 154 days for PS (n = 30; p = 0.01), significantly longer for IS. The 1‐year cholangitis incidence rate was lower for IS (20% vs. 43%, p = 0.04). Additionally, no stent dislocation was observed for IS, but this occurred for 33.3% of PS (p = 0.004). Comparing all endoscopic biliary stenting, including second and subsequent procedures, IS again had a longer patency period than PS (356 days, n = 89, vs. 196 days, n = 127, p = 0.009).

Conclusions

IS had a significantly longer patency period than PS, suggesting that IS replacement could be reduced to once per year for patients who prefer less frequent stent replacement.
Survey: Are politics hurting recruitment and retention in red states?
Authors: D’Orio Wayne
Published: October 2023

As more state politicians take aim at tenure and diversity issues regarding higher education, the big question for college leaders is what impact these laws or restrictions will have on retaining staff and recruiting professors.
An extended PDE‐based statistical spatio‐temporal model that suppresses the Gibbs phenomenon
Authors: Wei Guanzhou , Liu Xiao , Barton Russell
Published: October 2023

Partial differential equation (PDE)‐based spatio‐temporal models are available in the literature for modeling spatio‐temporal processes governed by advection‐diffusion equations. The main idea is to approximate the process by a truncated Fourier series and model the temporal evolution of the spectral coefficients by a stochastic process whose parametric structure is determined by the governing PDE. However, because many spatio‐temporal processes are nonperiodic with boundary discontinuities, the truncation of Fourier series leads to the well‐known Gibbs phenomenon (GP) in the output generated by the existing PDE‐based approaches. This article shows that the existing PDE‐based approach can be extended to suppress GP. The proposed approach starts with a data flipping procedure for the process respectively along the horizontal and vertical directions, as if we were unfolding a piece of paper folded twice along the two directions. For the flipped process, this article extends the existing PDE‐based spatio‐temporal model by obtaining the new temporal dynamics of the spectral coefficients. Because the flipped process is spatially periodic and has a complete waveform without boundary discontinuities, GP is removed even if the Fourier series is truncated. Numerical investigations show that the extended approach improves the modeling and prediction accuracy. Computer code is made available on GitHub.