bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of inhaled oxygen level on dynamic glucose‐enhanced MRI in mouse brain
Authors: Huang Jianpan , Chen Zilin , van Zijl Peter C. M. , Hin Law Lok , Pemmasani Prabakaran Rohith Saai , Park Se Weon , Xu Jiadi , Chan Kannie W. Y.
Published: February 2024

Purpose

To investigate the effect of inhaled oxygen level on dynamic glucose enhanced (DGE) MRI in mouse brain tissue and CSF at 3 T.

Methods

DGE data of brain tissue and CSF from mice under normoxia or hyperoxia were acquired in independent and interleaved experiments using on‐resonance variable delay multi‐pulse (onVDMP) MRI. A bolus of 0.15 mL filtered 50% D‐glucose was injected through the tail vein over 1 min during DGE acquisition. MRS was acquired before and after DGE experiments to confirm the presence of D‐glucose.

Results

A significantly higher DGE effect under normoxia than under hyperoxia was observed in brain tissue (p = 0.0001 and p = 0.0002 for independent and interleaved experiments, respectively), but not in CSF (p > 0.3). This difference is attributed to the increased baseline MR tissue signal under hyperoxia induced by a shortened T1 and an increased BOLD effect. When switching from hyperoxia to normoxia without glucose injection, a signal change of ˜3.0% was found in brain tissue and a signal change of ˜1.5% was found in CSF.

Conclusions

DGE signal was significantly lower under hyperoxia than that under normoxia in brain tissue, but not in CSF. The reason is that DGE effect size of brain tissue is affected by the baseline signal, which could be influenced by T1 change and BOLD effect. Therefore, DGE experiments in which the oxygenation level is changed from baseline need to be interpreted carefully.
Dynamic field mapping and distortion correction using single‐shot blip‐rewound EPI and joint multi‐echo reconstruction
Authors: Wu Wenchuan
Published: February 2024

Purpose

To develop a method for dynamic mapping and distortion correction.

Methods

A blip‐rewound EPI trajectory was developed to acquire multiple 2D EPI images in a single readout with an interleaved order, which allows a short TE difference. A joint multi‐echo reconstruction was utilized to exploit the shared information between EPI images. The reconstructed images from each readout are combined to produce a final magnitude image. A map is calculated from the phase of these images for distortion correction. The efficacy of the proposed method is assessed with phantom and in vivo experiments. The performance of the proposed method in the presence of subject motion is also investigated.

Results

Compared to conventional multi‐echo EPI, the proposed method allows dynamic mapping at matched resolution with a much shorter TR. Phantom and in vivo results show that the proposed method can provide a comparable magnitude image as conventional single‐shot EPI. The maps calculated from the proposed method are consistent with conventional multi‐echo EPI in the phantom experiment. For in vivo experiments, the proposed method provides a more accurate estimation of than conventional multi‐echo EPI, which is prone to phase wrapping problems due to the long TE difference. In‐vivo scan with subject motion shows the proposed dynamic field mapping method can improve the temporal stability of EPI time series compared to gradient echo (GRE) based static field mapping.

Conclusion

The proposed method allows accurate dynamic mapping for robust distortion correction without compromising spatial or temporal resolution.
Electrodiagnostic reporting preferences of referring physicians: An exploratory survey
Authors: Mun Kyung Joon , Farag Jordan , Robinson Lawrence R.
Published: February 2024

Introduction/Aims

Electrodiagnostic (EDX) studies play a crucial role in the evaluation of patients with peripheral nervous system disorders. Accurate and succinct communication of test results is critical to patient safety and clinical decision‐making. The objective of this study was to explore EDX reporting preferences of referring physicians to improve quality of communication and patient care.

Methods

An online survey was developed, and a purposive sampling strategy was used to recruit physicians in the authors' professional networks. Quantitative and qualitative survey data underwent frequency and thematic analyses, respectively.

Results

There were 40 respondents, including: 21 non‐surgical specialists, 12 surgical specialists, and 7 family physicians. Sections rated as most critical were diagnostic impression (97%) and summary/interpretation (72%). Only 18% reported numeric data as critical to their needs, preferring this data to be formatted as bullet points or tables without nerve conduction study waveforms. Regarding the format of the data summary and diagnostic impression sections, the majority of respondents preferred bullet points rather than paragraphs.

Discussion

The results of this exploratory survey suggest that physicians who refer patients for EDX studies prefer reports that emphasize the interpretation of EDX data and a clear diagnostic impression, particularly in bullet point format. This project highlights important preferences and how they compare to recommended reporting guidelines, which may help improve communication and ultimately patient care. Future efforts should explore larger sample sizes with all key stakeholders in the EDX process to better understand reporting styles and preferences with greater nuance and context.
Impact of fast charging station for electric vehicles with grid integration: Forensic‐based investigation and Archimedes optimization algorithm approach
Authors: Singh Abhishek Kumar , Kumar Ashwani
Published: February 2024

This manuscript proposes a novel technique for the precise model of electric vehicles (EVs) in the reliability and adequacy model of smart grids (SG). The proposed method combines forensic‐based investigation (FBI) and Archimedes optimization algorithm (AOA), named the FBIAOA technique. The objective of the proposed method is to rise the profit of fast charging stations and lessen the rising energy demand on the grid that is made up of storage systems and renewable energy generation (wind and PV). The demand for EVs and renewable generation is calculated using the FBI algorithm method. The growth of the proposed method is to examine the reliability of SG depending on the aggregation of the state matrices of EV stochastic parameters. The proposed method can help accelerate the reliability calculations by determining the desired count of EV states. The proposed strategy is run in MATLAB and is evaluated in its performance with existing methods. The proposed method gives a lower cost than the existing genetic algorithm, cuttlefish algorithm, and tunicate swarm algorithm methods.
Right Versus Left Cuff Position for Upper Airway Stimulation
Authors: Arambula Alexandra M. , Bon‐Nieves Antonio , Alapati Rahul , Wei Johnny , Wagoner Sarah , Lawrence Amelia , Renslo Bryan , Rouse David , Larsen Christopher
Published: February 2024

Objective

Upper airway stimulation (UAS) is a treatment option for obstructive sleep apnea in which electrical stimulation is applied to the hypoglossal nerve. Nerve branches that control tongue protrusion are located inferiorly. Due to positioning, left‐sided implants are typically placed with an inferiorly oriented electrode cuff (L‐down) as opposed to superiorly on the right (R‐up). In this study, we assess the impact of left‐ versus right‐sided UAS on patient outcomes.

Study Design

Retrospective cohort study.

Setting

Tertiary Academic Medical Center.

Methods

Patients who underwent UAS implantation between 2016 and 2021 with an L‐down or R‐up oriented cuff as confirmed by X‐ray were included. Data were collected retrospectively. Most recent sleep study variables were used for analysis.

Results

A total of 190 patients met the inclusion criteria. The average age was 61.0 ± 11.0 years, with 55 (28.9%) females. L‐down orientation was present in 21 (11.1%) patients vs 169 (88.9%) R‐up. Indications for L‐down included hunting/shooting (n = 15), prior radiation/surgery (n = 4), central port (n = 1), and brachial plexus injury (n = 1). Adherence was higher among L‐down patients (47.1 vs 41.0 hours use/week, P = .037) in univariate analysis, with a similar time to adherence data collection (4.4 vs 4.2 months, P = .612), though this finding was not maintained in the multivariate regression analysis. Decrease in apnea‐hypopnea index (21.3 vs 22.8, P = .734), treatment success (76.5% vs 84.0%, P = .665), functional threshold (1.5 vs 1.6, P = .550), therapeutic amplitude (2.3 vs 2.4, P = .882), and decrease in Epworth Sleepiness Scale (4.9 vs 2.6, P = .060) were not significantly different between cohorts.

Conclusion

This study is the first to examine the orientation of the UAS electrode cuff concerning the electrodes' natural position and the potential effect on postoperative outcomes. Our study found no significantly different treatment outcomes between the L‐down versus R‐up cohort, with the exception of device adherence, which was significantly higher in the L‐down group on univariate analysis though not on multivariate analysis. Future studies with larger patient cohorts are needed to further investigate this potential relationship between treatment outcomes and electrode cuff orientation.
Direct Experimental Observation of the Tetrabromine Cluster Br4 by Synchrotron Photoionization Mass Spectrometry
Authors: McClish Rory , Meloni Giovanni
Published: February 2024

We present a first spectroscopic characterization of the homoatomic polyhalogen tetrabromine, Br4, in the gas phase. Photolysis of CHBr3 at 248 nm is used to generate atomic bromine radicals in a flow tube reactor. Resulting combination products are detected by photoionization mass spectrometry at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Interpretation of the experimental mass spectra is informed by calculated adiabatic ionization energies carried out at the CCSD(T)/aug‐cc‐pVTZ//M06‐2X/aug‐cc‐pVTZ and CCSD(T)/aug‐cc‐pVTZ//cam‐B3LYP/6‐311++g** levels of theory. Tunable VUV synchrotron radiation enables the collection of the mass‐selected photoionization spectra by which Br4 is assigned using Franck‐Condon simulations of a Br2 dimer with a stretched tetrahedral geometry.
Microscale and mesoscale modeling for compressive failure in unidirectional carbon fiber reinforced polymer composites with random distribution of fiber misalignments
Authors: Xie Jiaming , Ning Zhihua
Published: February 2024

Compressive strength and failure mode of carbon fiber reinforced polymer (CFRP) composites are affected by the severity of fiber misalignment. In this paper, numerical models based on computational micromechanics are proposed to investigate the correlation between fiber misalignment and compression failure. A single‐fiber micromodel including fiber, matrix, and interface phases is first developed to capture the influence of misalignment severity on the material failure mode. The failure longitudinal stress distribution in the fiber predicted by the micromodel indicates that the failure mode depending on the initial misalignment can be identified as uniform compression failure, compression‐bending combination collapse, and fiber buckle. A mesoscale 2D model with multiple fibers is then constructed to investigate the kink band formation. This model takes into account the distribution of fiber misalignments to capture the key geometric features of fiber misalignment that influent the compression failure in realistic composite materials at the structural scale. The results show that fiber misalignment angle amplitude, misalignment dispersion (characterized by the standard deviation), and misalignment wavelength are the key parameters of fiber misalignment, which have significant effects on compression strength and kink band geometry.

Highlights

Single‐fiber model to capture the effect of misalignment severity on failure mode.

Multi‐fiber model with randomly distributed fiber misalignments.

Failure mode depending on the severity of initial misalignment was identified.

Key parameters of misalignment on compression strength and kink band geometry.
Performance enhancement of 3D‐printed carbon fiber‐reinforced nylon 6 composites
Authors: Chen Siyu , Cai Longfei , Duan Yingzhu , Jing Xishuang , Zhang Chengyang , Xie Fubao
Published: February 2024

The inherent defects of the layer‐by‐layer manufacturing process limit the mechanical performance of 3D‐printed composite parts. This paper explores a process optimization method for continuous fiber composites 3D printing to improve the mechanical performance of 3D‐printed CF/PA6 (Carbon Fiber/Nylon 6) parts. First, the effects of printing temperature, printing speed, layer thickness, and side step on the mechanical performance of 3D‐printed CF/PA6 were studied by conducting variable parameter printing experiments. All optimal printing parameters for CF/PA6 were obtained, and their impact mechanisms were analyzed. Second, the coupling effect of temperature and pressure of post‐processing reduced the internal voids of 3D‐printed CF/PA6 and improved its mechanical properties. The influence mechanism of the coupling effect of temperature and pressure was summarized, and the optimal post‐processing parameters applicable to CF/PA6 were obtained. Based on the above process optimization, the fiber volume content of the printed CF/PA6 reached 41.05%, and the bending strength and elastic modulus reached 651.54 MPa and 79.08 GPa, which were 209.05% and 179.53% higher than those before optimization. Moreover, the tensile strength and elastic modulus reached 730 MPa and 29.23GPa, which were 98.10% and 81.10% higher than those before optimization. The experimental results give a positive validation of the effectiveness and feasibility of the proposed methodology.

Highlights

The effects of printing temperature, printing speed, layer thickness, and side step on the mechanical properties of 3D‐printed CF/PA6 were investigated. The optimal printing parameters applicable to CF/PA6 were obtained and their influence mechanisms were analyzed.

The effects of the heat press processing method on the internal voids and mechanical properties of 3D‐printed CF/PA6 were investigated, and the optimal post‐processing parameters applicable to CF/PA6 were obtained.

The study resulted in optimal printing parameters and post‐processing parameters for 3D printing CF/PA6, which greatly enhanced its tensile and flexural strength and modulus.
Cover Image
Authors: Wang Yang , Zhang Chen , Li Helin , Li Hongyu , Diao Quanwei , Ren Xinyu , Hao Xinquan , Lin Bin , Yan Shuai
Published: February 2024

The cover image is based on the Research Article Identification and extraction of surface defects on composite workpieces based on Multilayer Perceptron‐Moth Flame algorithm two‐stage neural network by Yang Wang et al., https://doi.org/10.1002/pc.27952.

image
Comparative study of the effect of cross‐linking degree on chitosan hydrogels synthesized with low and medium molecular weight chitosan
Authors: Kaçoğlu Hanife Songül , Ceylan Özgür , Çelebi Mithat
Published: February 2024

Chitosan (CS) is often used in hydrogels due to its natural origin, sustainability, non‐toxicity, and biodegradability. However, the physicochemical properties of CS hydrogels generated via physical cross‐linking are relatively poor. CS hydrogels were prepared by cross‐linking with glutaraldehyde (GA) at different ratios ranging from 1% to 10% (w/w), using two different molecular weight CS. The swelling degree of hydrogels was investigated at pH 2.0, 5.6, and 7.4. The structure, morphology, and thermal characteristics of hydrogels were examined using Fourier transform infrared, scanning electron microscopy, differential scanning calorimetry, and thermogravimetric analysis, respectively. Compression tests were conducted using Zwick/Roell universal testing equipment following ASTM D695. In vitro degradation studies were performed in enzyme and enzyme‐free mediums at pH 7.4. The study demonstrated that low molecular weight CS (L‐CS) hydrogels have a lower sol content and higher swelling values than medium molecular weight CS (M‐CS) hydrogels. Both L‐CS and M‐CS hydrogels cross‐linked with 1% GA showed maximum swelling degrees at pH 2.0. Thermal analysis concluded that M‐CS hydrogels have higher thermal stability than L‐CS hydrogels. It was also found that the M‐CS hydrogels have higher compressive moduli. The degradation experiments in both enzyme and enzyme‐free media showed that L‐CS hydrogels have higher degradation rates.

Highlights

Chemically cross‐linked hydrogels synthesized using low and medium molecular weight chitosan.

The mechanical and physical properties of medium and low molecular weight chitosan hydrogels were compared.

Degradation experiments were performed in both enzyme and enzyme‐free media.

Swelling values decreased noticeably with the increasing molecular weight.

Low molecular weight chitosan improved the biodegradability of hydrogels.
Exponentiated half‐logistic Weibull distribution with reliability inference
Authors: El‐Awady Mahmoud Mohamed , El‐Monsef Mohamed Mohamed Ezzat Abd , Elbaz Islam Mohammed
Published: February 2024

This paper presents an in‐depth analysis of the exponentiated half‐logistic Weibull (EHLW) distribution, investigating its fundamental statistical properties and exploring parameters estimation using both maximum likelihood and Bayesian approaches. Specifically, our focus centers on the analysis of stress–strength reliability, denoted as , where the strength variable follows EHLW distribution, and the stress variable follows either Weibull distribution or the EHLW distribution. The estimation of the parameter is discussed in both scenarios, employing both Maximum Likelihood and Bayesian approaches. Furthermore, we calculate that the asymptotic confidence interval, percentile bootstrap interval, and the highest probability density credible interval are obtained for the stress–strength parameter . In order to assess the efficiency of these estimation techniques, simulation studies are conducted, providing valuable insights into the performance of each estimation approach. Finally, the proposed reliability model is applied to real datasets, highlighting its practical significance.
TD‐DFT analysis of the excitation of H‐dimers of cationic dyes in an aqueous solution using functionals without additional dispersion correction
Authors: Kostjukov Victor V.
Published: February 2024

This work is a development and extension of the previous one (DOI: 10.1039/d3cp00882g). Here, H‐dimers of acridine (acridine orange—AO and proflavine—PF), thiazine (methylene blue—MB and thionine—TH), and oxazine (brilliant cresyl blue—BCB and Nile blue—NB) dyes were modeled using hybrid functionals with a large proportion of exact Hartree–Fock exchange and long‐range correction. It turned out that nine functionals (LC‐ωHPBE, M06HF, M052X, M062X, M08HX, M11, MN15, SOGGA11X, and ωB97XD) reliably stabilize these molecular aggregates in both the ground and excited states. In addition, these functionals ensure that the conditions for transition moments (M(dimer) ≈ M(monomer) from strong coupling theory for H‐aggregates) and absorption maxima (λmax(dimer) < λmax(monomer) from Kasha exciton theory) are met. The S2 excited state stabilizes the H‐dimers more strongly than the ground state, while the S1 state stabilizes even more than S2. This is due to the large overlap between the corresponding molecular orbitals (LUMO > HOMO−1 > HOMO). When calculating the vibronic absorption spectra, the best agreement with the experiment for AO2, PF2, and NB2 showed the M08HX functional, and M11—for MB2 and BCB2. For dye monomers, these functionals gave the worst agreement, and MN15 demonstrated the closest similarity to the experiment. Vibronic absorption spectra for AO2, MB2, BCB2, and NB2 were calculated for the first time. The exciton splitting is calculated, which for MB2 is in good agreement with the experimental value.
Quality Control of Coumarins, Furocoumarins and Polymethoxyflavones in Citrus Essential Oils: In Silico Analysis
Authors: Ouabane. Mohamed , Alaqarbeh Marwa , Hajji Halima , Tabti Kamal , Ajana Mohammed Aziz , Sbai Abdelouahid , Sekkate Chakib , Lakhlifi Tahar , Bouachrine Mohammed
Published: February 2024

Citrus essential oils (EOs) contain a variety of secondary metabolites, including coumarins (Cs), furocoumarins (FCs) and polymethoxyflavones (PMFs), all with different biological activities. While Regulation (EC) No 1334/2008 strictly regulates the use of coumarins, undesirable side effects of consuming furocoumarins remain without established maximum toxicity limits for human dietary intake. This study is based on an in‐silico approach aimed at determining these toxicity limits for the oxygenated heterocyclic compounds of citrus EOs approved for use in food. In addition, an innovative quantitative structure‐property relationship (QSPR) using the linear retention index system was explored to characterize the oxygenated heterocyclic compounds (COHs) present in these essential oils. Molecular docking of the studied compounds provided crucial insights into the structure‐odor relationships, offering insights into their mechanisms of action. In addition, an analysis of the pharmacokinetic and pharmacodynamic properties through ADME‐Tox deconstruction provides insight into the potential side effects of their consumption. The results are consolidated by dynamic simulations, providing crucial data for the development of regulations on the maximum toxicity limits of citrus EOs, given the health implications of the various compounds such as coumarins, furocoumarins and polymethoxyflavones present in these essential oils.
Fluorescence Resonance Energy Transfer Study Between ZnS Quantum Dots and Fluoranthene
Authors: Rajkumari Nandini Priyam , Roy Camelia , Goswami Pallabi
Published: February 2024

Single‐phase zinc sulphide (ZnS) quantum dots were synthesized by hydrothermal method without using any capping agent. X‐ray power diffraction, transmission electron microscopy, and ultraviolet‐visible spectroscopy were used to characterize the structure, size, surface states. Photoluminescence properties of ZnS quantum dots were studied to apply it as fluorescence sensor. The results showed that the crystal structure of ZnS quantum dots was a cubic zinc blende, and their average diameter was about 3.5 nm. A strong broad band cantered at about 320 nm was observed in the excitation spectrum of ZnS quantum dots. Their emission spectrum peaking at about 408 nm, was due mostly to the trap‐state emission. We used cadmium as fluorescence super quencher to detect the presence of cadmium. The relative integrated emission intensity of ZnS quantum dots decreased as the amount of Cd increased. That 408 nm emitted radiation was then used to detect the presence of fluoranthene, a potential carcinogen, present in solution. The novelty of the process is the use of water as a solvent for synthesis, without using any capping agent by slow hydrothermal process.
SB‐2 cationic resin: an efficient and reusable organocatalyst for the synthesis of α‐aminophosphonates, DFT calculations and, computer aided design in antifungal activity
Authors: Touil Nourhane , Guezane‐Lakoud Samia , Boukachabia Mourad , Haffas Maamar
Published: February 2024

SB‐2 cationic resin has been employed as an unexpected and reusable heterogeneous organocatalyst in multicomponents reaction for the synthesis of the α‐aminophosphonates derivatives that act as antifungal agents, this reaction proceeds under eco‐friendly and simple procedure by condensation in one pot of substituted aromatic aldehydes, anilines and diethylphosphite. Excellent isolated product yields are obtained (up to 70 %) for (4 a–o) within shorter reaction times in solvent‐free condition. The synthesized compounds were determined by spectroscopic analyses such as: NMR (1H, 13C and 31P), IR and HRMS.Molecular geometries, electronic properties, stability and reactivity such as: HOMO/LUMO,
, dipole moment (6.1308<D<10.5829), electronegativity (2.3490<X<3.5892), electrophilicity (1.1046<ω<3.2185) and the calculated thermodynamic descriptors (Zero‐point Energies, Enthalpy and Gibbs Free Energy) of four trimethoxy α‐aminophosphonates derivatives (4 j, 4 k, 4 l and 4 m) were carried by DFT at B3LYP 6‐31G (d, p) basis set. Computer aided design by molecular docking of studied compounds revealed a good binding energy against 5HS1 receptor to be considered as antifungal candidates and compared with Voriconazole. In additionally, druglikeness parameters of selected compounds were found through in silico pharmacological ADME/T properties estimation.
AIE‐Active Ferrocene Appended Linear (D‐π‐A) Aromatic Ester Chromophores: Structural, Theoretical and Effect on Phenyl Ring on Luminescence and Nonlinear Optical Properties
Authors: Chithra Vadakkalur Sampath , Prabu Selvam , Babu Gowtham , Viswanathan Thamodharan , David Ezhumalai , Logesh Kalidoss , Palanisami Nallasamy
Published: February 2024

In the present research, a new ferrocene‐appended linear donor‐π‐acceptor (D‐π‐A) ester chromophore Fc‐(C6H4)2‐COOC2H5 (2) was synthesized and characterized using various spectroscopic techniques. The molecular structure of chromophore 2 was determined using single‐crystal X‐ray diffraction analysis, revealing its crystallization in the monoclinic crystal system with the P21/n space group. The chromophore Fc‐C6H4‐COOC2H4 (1) was utilized to compare its photophysical and nonlinear optical characteristics with those of 2. Cyclic voltammetry revealed a single‐electron transfer mechanism from Fe2+↔Fe3+. The emission solvatochromism studies show a polarized excited state in response to increasing solvent polarity, indicating charge transfer processes. Interestingly, in mixed aqueous media (THF/H2O), the chromophores exhibit intensified fluorescence due to restricted intra‐molecular rotation (RIR), despite weak emission in THF solvent. Chromophore 2 demonstrated 1.5 times higher second harmonic generation (SHG) efficiency than 1, attributed to its extended π‐conjugation from an additional phenyl ring and reduced antiparallel alignments. Despite its centrosymmetric crystal packing, chromophore 2 exhibited SHG efficiency due to non‐covalent interactions (C−H⋅⋅⋅π) in the crystal lattice. Density Functional Theory (DFT) calculations, employing various functionals, provided insights into dipole moment and first hyperpolarizability, with B3LYP‐hybrid functional underestimating hyperpolarizability values owing to long‐range charge transfer interactions within the D‐π‐A systems, aligning closely with experimental findings.
Asymmetric Synthesis of Trifluoromethyl Substituted Spiro[Indoline‐3,4′‐Pyrano[2,3‐c]Pyrazole] Derivatives with Organocatalysts
Authors: Özcan Bilge Deniz , Kömüşdoğan Ezgi Bayer , Şahin Ertan , Tanyeli Cihangir
Published: February 2024

Spirocyclic compounds have always attracted attention due to their presence as a structural core in a wide variety of natural and bioactive molecules and to exhibit pharmaceutical properties. An asymmetric synthesis of spiro[indoline‐3,4′‐pyrano[2,3‐c]pyrazoles] via Michael addition of trifluoromethyl substituted pyrazolone to isatylidene ethyl cyanoacetate derivatives was conducted with excellent enantioselectivities up to 99 % and up to 97 % isolated yield at room temperature with using 2 mol % of bifunctional quinine derived squaramide organocatalysts.
Synthesis of β‐Hydroxyselenides via Electrochemical Hydroxyselenenylation of Alkenes with Diselenides and H2O
Authors: Li Weiwei , Hu Yingyuan , Hou Junsheng , Li Jiaojiao , Zhang Xinxin , Li Jinxu , Wang Huijiao , Liu Qiang
Published: February 2024

A practical electrochemical method for the synthesis of β‐hydroxyselenides has been developed under an external oxidant‐free condition at room temperature under air from alkenes with diselenides and H2O. A radical mechanism is proposed for this transformation and the gram‐scale reactions demonstrate the practicability of this reaction.
Control of ZIF‐62 and agZIF‐62 Film Thickness within Asymmetric Tubular Supports through Pressure and Dose Time Variation of Atomic Layer Deposition
Authors: Stone Dana M. , Morgan Sarah E. , Abdelmigeed Mai O. , Nguyen Jimmy , Bennett Thomas D. , Parsons Gregory N. , Cowan Matthew G.
Published: February 2024

Thin‐films of metal‐organic frameworks (MOFs) have widespread potential applications, especially with the emergence of glass‐forming MOFs, which remove the inherent issue of grain boundaries and allow coherent amorphous films to be produced. Herein, it is established that atomic layer deposition (ALD) of zinc oxide lends excellent control over the thickness and localization of resultant polycrystalline and glass zeolitic imidazole framework‐62 (ZIF‐62) thin‐films within tubular α‐alumina supports. Through the reduction of the chamber pressure and dose times during zinc oxide deposition, the resultant ZIF‐62 films are reduced from 38 µm to 16 µm, while the presence of sporadic ZIF‐62 (previously forming as far as 280 µm into the support) is prevented. Furthermore, the glass transformation shows a secondary reduction in film thickness from 16 to 2 µm.
General and Scalable Synthesis of Mesoporous 2D MZrO2 (M = Co, Mn, Ni, Cu, Fe) Nanocatalysts by Amorphous‐to‐Crystalline Transformation
Authors: Yan Jiawei , Luo Yifei , Zhu Mengyao , Yang Bixia , Shen Xiaoxin , Wang Zhiqi , Zhuang Zanyong , Yu Yan
Published: February 2024

In modern heterogeneous catalysis, it remains highly challenging to create stable, low‐cost, mesoporous 2D photo‐/electro‐catalysts that carry atomically dispersed active sites. In this work, a general shape‐preserving amorphous‐to‐crystalline transformation (ACT) strategy is developed to dope various transition metal (TM) heteroatoms in ZrO2, which enabled the scalable synthesis of TMs/oxide with a mesoporous 2D structure and rich defects. During the ACT process, the amorphous MZrO2 nanoparticles (M = Fe, Ni, Cu, Co, Mn) are deposited within a confined space created by the NaCl template, and they transform to crystalline 2D ACT‐MZrO2 nanosheets in a shape‐preserving manner. The interconnected crystalline ACT‐MZrO2 nanoparticles thus inherit the same structure as the original MZrO2 precursor. Owing to its rich active sites on the surface and abundant oxygen vacancies (OVs), ACT‐CoZrO2 gives superior performance in catalyzing the CO2‐to‐syngas conversion as demonstrated by experiments and theoretical calculations. The ACT chemistry opens a general route for the scalable synthesis of advanced catalysts with precise microstructure by reconciliating the control of crystalline morphologies and the dispersion of heteroatoms.
Fracture Resistant CrSi2‐Doped Silicon Nanoparticle Anodes for Fast‐Charge Lithium–Ion Batteries
Authors: Li Weiqun , Luo Chucheng , Fu Jimin , Yang Juan , Zhou Xiangyang , Tang Jingjing , Mehdi B. Layla
Published: February 2024

Lithium–ion batteries (LIBs) has been developed over the last three decades. Increased amount of silicon (Si) is added into graphite anode to increase the energy density of LIBs. However, the amount of Si is limited, due to its structural instability and poor electronic conductivity so a novel approach is needed to overcome these issues. In this work, the synthesized chromium silicide (CrSi2) doped Si nanoparticle anode material achieves an initial capacity of 1729.3 mAh g−1 at 0.2C and retains 1085 mAh g−1 after 500 cycles. The new anode also shows fast charge capability due to the enhanced electronic conductivity provided by CrSi2 dopant, delivering a capacity of 815.9 mAh g−1 at 1C after 1000 cycles with a capacity degradation rate of <0.05% per cycle. An in situ transmission electron microscopy is used to study the structural stability of the CrSi2‐doped Si, indicating that the high control of CrSi2 dopant prevents the fracture of Si during lithiation and results in long cycle life. Molecular dynamics simulation shows that CrSi2 doping optimizes the crack propagation path and dissipates the fracture energy. In this work a comprehensive information is provided to study the function of metal ion doping in electrode materials.
Phase Engineering Reinforced Energy Transfer for High‐Performance Blue Perovskite Light‐Emitting Diodes
Authors: Li Hui , Zhao Yingjie , Lu Jianxun , Feng Jiangang , Zhao Jiahui , Lin Kebin , Feng Wenjing , Jiang Lei , Wei Zhanhua , Du Zuliang , Wu Yuchen
Published: February 2024

Layered metal‐halide perovskites, a category of self‐assembled quantum wells, are of paramount importance in emerging photonic sources, such as lasers and light‐emitting diodes (LEDs). Despite high trap density in two‐dimensional (2D) perovskites, efficient non‐radiative energy funneling from wide‐ to narrow‐bandgap components, sustained by the Förster resonance energy transfer (FRET) mechanism, contributes to efficient luminescence by light or electrical injection. Herein, it is demonstrated that bandgap extension of layered perovskites to the blue‐emitting regime will cause sluggish and inefficient FRET, stemming from the tiny spectral overlap between different phases. Motivated by the importance of blue LEDs and inefficient energy transfer in materials with phase polydispersity, wide‐bandgap quasi‐2D perovskites with narrow phase distribution, improved crystallinity, and the pure crystal orientation perpendicular to the charge transport layer are developed. Based on this emitter, high‐performance blue perovskite LEDs with improved electroluminescence (EL) external quantum efficiency (EQE) of 7.9% at 478 nm, a narrow full width at half‐maximum (FWHM) of 22 nm and a more stable EL spectra are achieved. These results provide an important insight into spectrally stable and efficient blue emitters and EL devices based on perovskites.
Engineering Ba2Bi2O6 Double Perovskite with La3+ for High Current Density Visible Light Photoelectrochemical Hydrogen Evolution
Authors: Guo Tirong , Fu Wen Tian , de Groot Huub J. M.
Published: February 2024

A Lanthanum ion (La3+) incorporation strategy is implemented to modify Ba2Bi2O6‐based double perovskite photoelectrodes. X‐ray diffraction (XRD) characterization shows that highly crystalline Ba2La0.4Bi1.6O6 double perovskites with the space group I2/m are successfully prepared. UV–vis absorption spectra and the Tauc‐plot reveal an optical band gap Eg ≈1.57 ± 0.01 eV. A thickness dependence of the photoelectrodes photoelectrochemical (PEC) performance shows that the submicron (≈1 µm) 4‐times spin‐coated thin film photoelectrode displays strong p‐type conductivity, which delivers an encouraging photocurrent density of 0.88 mA cm−2 at 0.25 VRHE under AM 1.5G illumination. 10‐times coated and 20‐times coated medium thick (125.8–197 µm) photoelectrodes that exhibit moderate p‐type conductivity, show further enhanced photocurrent densities of 1.5 mA cm−2 at 0 VRHE. In contrast, charge recombination centers existing in a standard thick pellet (≈500 µm) Ba2La0.4Bi1.6O6 photoelectrode can quench photo‐generated charge carriers and greatly undermine PEC activities. The approach to doping at the Bi(III) sites contrasts with earlier efforts that focus on doping at the Bi(V) sites and thus paves the way for further tailoring a family of novel promising photocathode materials for efficient solar‐water conversion devices.
Manufacturing 3D Biomimetic Tissue: A Strategy Involving the Integration of Electrospun Nanofibers with a 3D‐Printed Framework for Enhanced Tissue Regeneration
Authors: Randhawa Aayushi , Dutta Sayan Deb , Ganguly Keya , Patil Tejal V. , Lim Ki‐Taek
Published: February 2024

3D printing and electrospinning are versatile techniques employed to produce 3D structures, such as scaffolds and ultrathin fibers, facilitating the creation of a cellular microenvironment in vitro. These two approaches operate on distinct working principles and utilize different polymeric materials to generate the desired structure. This review provides an extensive overview of these techniques and their potential roles in biomedical applications. Despite their potential role in fabricating complex structures, each technique has its own limitations. Electrospun fibers may have ambiguous geometry, while 3D‐printed constructs may exhibit poor resolution with limited mechanical complexity. Consequently, the integration of electrospinning and 3D‐printing methods may be explored to maximize the benefits and overcome the individual limitations of these techniques. This review highlights recent advancements in combined techniques for generating structures with controlled porosities on the micro–nano scale, leading to improved mechanical structural integrity. Collectively, these techniques also allow the fabrication of nature‐inspired structures, contributing to a paradigm shift in research and technology. Finally, the review concludes by examining the advantages, disadvantages, and future outlooks of existing technologies in addressing challenges and exploring potential opportunities.
Chirality of Copper–Amino Acid Nanoparticles Determines Chemodynamic Cancer Therapeutic Outcome
Authors: Wang Shaobo , Zhao Yunchao , Yao Shuncheng , Wang Zhuo , Zhang Zeyu , Wen Kaikai , Ma Baojin , Li Linlin
Published: February 2024

Chirality is a prevalent characteristic in nature, where biological systems exhibit a significant preference for specific enantiomers of biomolecules. However, there is a limited exploration into utilizing nanomaterials’ chirality to modulate their interactions with intracellular substances. In this study, self‐assembled copper‐cysteine chiral nanoparticles and explore the influence of their charity on cancer chemodynamic therapy (CDT) are fabricated. Experimental and molecular dynamics (MD) simulation results demonstrate that the copper‐l‐cysteine chiral nanoparticles (Cu‐l‐Cys NPs) exhibit a stronger affinity toward l‐glutathione (l‐GSH) that is overproduced in cancer cells, compared to the copper‐d‐cysteine enantiomer (Cu‐d‐Cys NPs). The interaction between Cu‐l‐Cys NPs and l‐GSH triggers a redox reaction that depletes l‐GSH and converts Cu2+ into Cu+. Subsequently, Cu+ catalyzes a Fenton‐like reaction, decomposing H2O2 into highly cytotoxic hydroxyl radicals (•OH) for cancer CDT. In vivo, results confirm that Cu‐l‐Cys NPs with good biocompatibility elicit a pronounced cancer cell death and effectively inhibit tumor growth. This work proposes a new perspective on chirality‐enhanced cancer therapy.
An AIEgen and Iodine Double‐Ornamented Platinum(II) Complex for Bimodal Imaging‐Guided Chemo‐Photodynamic Combination Therapy
Authors: He Xidong , Yu Jie , Yin Renyong , Huang Yubin , Zhang Peng , Xiao Chunsheng , Chen Xuesi
Published: February 2024

Real‐time biodistribution monitoring and enhancing the therapeutic efficacy of platinum(II)‐based anticancer drugs are urgently required to elevate their clinical performance. Herein, a tetraphenylethene derivative (TP) with aggregation‐induced emission (AIE) properties and an iodine atom are selected as ligands to endow platinum (II) complex TP‐Pt‐I with real‐time in vivo self‐tracking ability by fluorescence (FL) and computerized tomography (CT) imaging, and improved anticancer efficacy by the combination of chemotherapy and photodynamic therapy. Especially, benefiting from the formation of a donor‐acceptor‐donor structure between the AIE photosensitizer TP and Pt‐I moiety, the heavy atom effects of Pt and I, and the presence of I, TP‐Pt‐I displayed red‐shifted absorption and emission wavelengths, enhanced ROS generation efficiency, and improved CT imaging capacity compared with the pristine TP and the control agent TP‐Pt‐Cl. As a result, the enhanced intratumoral accumulation of TP‐Pt‐I loaded nanoparticles is readily revealed by dual‐modal FL and CT imaging with high contrast. Meanwhile, the TP‐Pt‐I nanoparticles show significantly improved tumor growth‐inhibiting effects on an MCF‐7 xenograft murine model by combining the chemotherapeutic effects of platinum(II) and the photodynamic effects of TP. This self‐tracking therapeutic complex thus provides a new strategy for improving the therapeutic outcomes of platinum(II)‐based anticancer drugs.
Dual‐Stimuli‐Responsive Modulation Organic Afterglow Based on N─H Proton Migration Mechanism
Authors: Man Zhongwei , Lv Zheng , Cao Yangyang , Xu Zhenzhen , Liao Qing , Yao Jiannian , Teng Feng , Tang Aiwei , Fu Hongbing
Published: February 2024

Organic afterglow materials have significant applications in information security and flexible electronic devices with unique optical properties. It is vital but challenging to develop organic afterglow materials possessing controlled output with multi‐stimuli‐responsive capacity. Herein, dimethyl terephthalate (DTT) is introduced as a strong proton acceptor. The migration direction of N─H protons on two compounds Hs can be regulated by altering the excitation wavelength (Ex) or amine stimulation, thereby achieving dual‐stimuli‐responsive afterglow emission. When the Ex is below 300 nm, protons migrate to S1‐2DTT, where strong interactions induce phosphorescent emission of Hs, resulting in afterglow behavior. Conversely, when the Ex is above 300 nm, protons interact with the S0DTT weakly and the afterglow disappears. In view of amine‐based compounds with higher proton accepting capabilities, it can snatch proton from S1‐2DTT and redirect the proton flow toward amine, effectively suppressing the afterglow but obtaining a new redshifted fluorescence emission with Δλ over 200 nm due to the high polarity of amine. Moreover, it is successfully demonstrated that the applications of dual‐stimuli‐responsive organic afterglow materials in information encryption based on the systematic excitation‐wavelength‐dependent (Ex‐De) behavior and amine selectivity detection.
CdSe Quantum Dots Enable High Thermoelectric Performance in Solution‐Processed Polycrystalline SnSe
Authors: Dou Wei , Gong Yaru , Huang Xinqi , Li Yanan , Zhang Qingtang , Liu Yuqi , Xia QinXuan , Jian Qingyang , Xiang Deshang , Li Di , Zhang Dewei , Zhang Shihua , Ying Pan , Tang Guodong
Published: February 2024

Here, a high peak ZT of ≈2.0 is reported in solution‐processed polycrystalline Ge and Cd codoped SnSe. Microstructural characterization reveals that CdSe quantum dots are successfully introduced by solution process method. Ultraviolet photoelectron spectroscopy evinces that CdSe quantum dots enhance the density of states in the electronic structure of SnSe, which leads to a large Seebeck coefficient. It is found that Ge and Cd codoping simultaneously optimizes carrier concentration and improves electrical conductivity. The enhanced Seebeck coefficient and optimization of carrier concentration lead to marked increase in power factor. CdSe quantum dots combined with strong lattice strain give rise to strong phonon scattering, leading to an ultralow lattice thermal conductivity. Consequently, high thermoelectric performance is realized in solution‐processed polycrystalline SnSe by designing quantum dot structures and introducing lattice strain. This work provides a new route for designing prospective thermoelectric materials by microstructural manipulation in solution chemistry.
Carbon Catalysts Empowering Sustainable Chemical Synthesis via Electrochemical CO2 Conversion and Two‐Electron Oxygen Reduction Reaction
Authors: Zhao Yuying , Raj Jithu , Xu Xiang , Jiang Jianchun , Wu Jingjie , Fan Mengmeng
Published: February 2024

Carbon materials hold significant promise in electrocatalysis, particularly in electrochemical CO2 reduction reaction (eCO2RR) and two‐electron oxygen reduction reaction (2e− ORR). The pivotal factor in achieving exceptional overall catalytic performance in carbon catalysts is the strategic design of specific active sites and nanostructures. This work presents a comprehensive overview of recent developments in carbon electrocatalysts for eCO2RR and 2e− ORR. The creation of active sites through single/dual heteroatom doping, functional group decoration, topological defect, and micro‐nano structuring, along with their synergistic effects, is thoroughly examined. Elaboration on the catalytic mechanisms and structure‐activity relationships of these active sites is provided. In addition to directly serving as electrocatalysts, this review explores the role of carbon matrix as a support in finely adjusting the reactivity of single‐atom molecular catalysts. Finally, the work addresses the challenges and prospects associated with designing and fabricating carbon electrocatalysts, providing valuable insights into the future trajectory of this dynamic field.
Magnetically Selective Versatile Transport of Microrobotic Carriers
Authors: Hu Xinghao , Kim Keonmok , Ali Abbas , Kim Hyeonseol , Kang Yumin , Yoon Jonghwan , Torati Sri Ramulu , Reddy Venu , Im Mi‐Young , Lim Byeonghwa , Kim CheolGi
Published: February 2024

Field‐driven transport systems offer great promise for use as biofunctionalized carriers in microrobotics, biomedicine, and cell delivery applications. Despite the construction of artificial microtubules using several micromagnets, which provide a promising transport pathway for the synchronous delivery of microrobotic carriers to the targeted location inside microvascular networks, the selective transport of different microrobotic carriers remains an unexplored challenge. This study demonstrated the selective manipulation and transport of microrobotics along a patterned micromagnet using applied magnetic fields. Owing to varied field strengths, the magnetic beads used as the microrobotic carriers with different sizes revealed varied locomotion, including all of them moving along the same direction, selective rotation, bidirectional locomotion, and all of them moving in a reversed direction. Furthermore, cells immobilized with magnetic beads and nanoparticles also revealed varied locomotion. It is expected that such steering strategies of microrobotic carriers can be used in microvascular channels for the targeted delivery of drugs or cells in an organized manner.
Bifunctional Urea–Polyethyleneimine‐Mediated Surface Engineering in SnO2 Electron‐Transport Layer for Efficient and Stable Organic Solar Cells
Authors: Kim Dowon , Lee Sanseong , Oh Chang‐mok , Hwang In‐Wook , Yoon Changjae , Kim Heejoo , Byeon Jinhwan , Lee Kwanghee , Hong Sukwon
Published: February 2024

Because of its high conductivity, wide bandgap, and excellent photostability, tin oxide (SnO2) has long been recognized as an electron‐transport layer (ETL) in organic solar cells (OSCs). However, the energy‐level mismatch between the work function (WF) of SnO2 and the lowest unoccupied molecular orbital level of Y‐series nonfullerene acceptors (NFAs), along with the abundance of surface defects on SnO2, have limited its widespread application as ETLs in OSCs. Herein, a novel approach utilizing urea‐functionalized polyethyleneimine (PEI) materials called u‐PEIs for modifying SnO2 is introduced. This modification, which serves dual purposes of WF modulation and surface‐defect passivation, can mitigate the energy barriers of SnO2/Y‐series NFA and increase the conductivity of the SnO2 film. PM6:Y6‐based OSCs with u‐PEI‐modified SnO2 (SnO2:u‐PEI) ETLs exhibit a remarkable efficiency of 16%, which significantly exceeds that (13.5%) achieved with bare SnO2‐based OSCs, along with outstanding photo‐ and thermal stability. This study confirms the efficacy of urea‐functionalized PEI for efficient and stable OCSs, paving the way for SnO2 applications.