bluuebunny/crossref_metadata_2025 huggingface dataset:
Substitute behaviors in recovery pose consistent threat to well‐being
Authors: Enos Gary
Published: July 2023

Results of a new study based on in‐depth interviews with 23 Narcotics Anonymous (NA) attendees in South Africa suggest that treatment and recovery programs should pay closer attention to potentially problematic substitute behaviors in recovery. Nineteen of the 23 participants reported engaging in a substitute behavior, with nicotine the most common replacement substance and binge eating/overeating the most common non‐substance behavior.
ONDCP calls for all‐government response to xylazine‐fentanyl
Authors: Knopf Alison
Published: July 2023

Last week the Office of National Drug Control Policy (ONDCP) issued a plan for a “whole‐of‐government” response to the combination of xylazine and fentanyl. The plan outlines specific responsibilities for what appears to be every single federal agency, in an action to be coordinated by the ONDCP.
Realizing an Unprecedented Fill Factor of 82.2% in Ternary Organic Solar Cells via Co‐Crystallization of Non‐Fullerene Acceptors
Authors: Chen Chen , Wang Liang , Sun Yuandong , Fu Yiwei , Guo Chuanhang , Zhou Bojun , Gan Zirui , Liu Dan , Li Wei , Wang Tao
Published: July 2023

Ternary strategy is demonstrated as an efficient approach to achieve high short‐circuit current and open‐circuit voltage to boost the performance of organic solar cells (OSCs), however, the realization of high fill‐factor (FF) in ternary OSCs has been rare. In this study, three thiophene terminated non‐fullerene acceptors (NFAs) with methyl or chlorine substitutions on their end‐groups are designed and synthesized, and further incorporated into the state‐of‐the‐art PM6:L8‐BO system to construct ternary OSCs. Subtle changes in their chemical structures significantly modify the molecular packings of these thiophene terminated NFAs. While BTP‐ThMe and BTP‐ThCl have limited forms of dimer, versatile molecular dimers, including “Z” shaped D‐D, “S” shaped A‐A, and “F” shaped A‐D packings exist in BTP‐ThMeCl, which lead to the formation of compact 3D honey‐comb network and this is analogous to the host acceptor L8‐BO. This synergetic molecular packing between BTP‐ThMeCl and L8‐BO contributes to maintain the 3D charge transport network in the ternary system via the formation of NFA co‐crystals at the molecular level, and consequently realizing a maximum power conversion efficiency of 19.1% with a superior FF of 82.2%, which is the highest FF reported so far for OSCs.
Programmable Peptides Activated Macropinocytosis for Direct Cytosolic Delivery
Authors: Fan Yan‐Lei , Zhang Ni‐Yuan , Hou Da‐Yong , Hao Yi , Zheng Rui , Yang Jia , Fan Zhi , An Hong‐Wei , Wang Hao
Published: July 2023

Bioactive macromolecules show great promise for the treatment of various diseases. However, the cytosolic delivery of peptide‐based drugs remains a challenging task owing to the existence of multiple intracellular barriers and ineffective endosomal escape. To address these issues, herein, programmable self‐assembling peptide vectors are reported to amplify cargo internalization into the cytoplasm through receptor‐activated macropinocytosis. Programmable self‐assembling peptide vector‐active human epidermal growth factor receptor‐2 (HER2) signaling induces the receptor‐activated macropinocytosis pathway, achieving efficient uptake in tumor cells. Shrinking macropinosomes accelerate the process of assembly dynamics and form nanostructures in the cytoplasm to increase peptide‐based cargo accumulation and retention. Inductively coupled plasma mass (ICP‐MS) spectrometry quantitative analysis indicates that the Gd delivery efficiency in tumor tissue through the macropinocytosis pathway is improved 2.5‐fold compared with that through the use of active targeting molecular delivery. Finally, compared with nanoparticles and active targeting delivery, the delivery of bioactive peptide drugs through the self‐assembly of peptide vectors maintains high drug activity (the IC50 decreased twofold) in the cytoplasm and achieves effective inhibition of tumor cell growth. Programmable self‐assembling peptide vectors represent a promising platform for the intracellular delivery of diverse bioactive drugs, including molecular drugs, peptides, and biologics.
In Situ Li‐Plating Diagnosis for Fast‐Charging Li‐Ion Batteries Enabled by Relaxation‐Time Detection
Authors: Xu Lei , Xiao Ye , Yang Yi , Xu Rui , Yao Yu‐Xing , Chen Xiao‐Ru , Li Ze‐Heng , Yan Chong , Huang Jia‐Qi
Published: July 2023

The Li‐plating behavior of Li‐ion batteries under fast‐charging conditions is elusive due to a lack of reliable indicators of the Li‐plating onset. In this work, the relaxation time constant of the charge‐transfer process (τCT) is proposed to be promising for the determination of Li‐plating onset. A novel pulse/relaxation test method enables rapid access to the τCT of the graphite anode during battery operation, applicable to both half and full batteries. The diagnosis of Li plating at varying temperatures and charging rates enriches the cognition of Li‐plating behaviors. Li plating at low temperatures and high charging rates can be avoided because of the battery voltage limitations. Nevertheless, after the onset, severe Li plating evolves rapidly under harsh charging conditions, while the Li‐plating process under benign charging conditions is accompanied by a simultaneous Li‐intercalation process. The quantitative estimates indicate that Li plating at high temperatures/high charging rates leads to more irreversible capacity losses. This facile method with rational scientific principles can provide inspiration for exploring the safe boundaries of Li‐ion batteries.
Plasmonic Bullseye Nanocavities for Broadband Light Localization and Multi‐Wavelength SERS
Authors: Dixon Katelyn , Hasham Minhal , Shayegannia Moein , Matsuura Naomi , Wilson Mark W.B. , Kherani Nazir P.
Published: July 2023

Plasmonic nanostructures capable of broadband light trapping and field enhancement have promising applications in a wide range of fields. This study presents a platform for broadband, polarization‐independent field enhancement in the visible regime through the use of width‐graded nanocavities in a bullseye configuration. The fabrication procedure utilizes electron beam lithography (EBL) to achieve fine control over the nanocavity geometry and template stripping to enable rapid and low‐cost production. The utility of these devices as substrates for multi‐wavelength surface enhanced Raman spectroscopy (SERS) is demonstrated through molecular detection in a 10 μM solution at two excitation wavelengths. The impact of bullseye geometry on both the broadband spectral response and multi‐wavelength SERS performance is examined. The measured SERS enhancement factor (EF) is shown to depend primarily on the plasmonically active surface area of the device, regardless of the local electromagnetic field strength within the nanocavities. These results highlight not only the utility of the width‐graded bullseye as a broadband platform for SERS and other applications but also provide design guidelines to optimize the enhancement factor and broadband performance of similar devices.
Generalized Terahertz Perfect Vortices with Transmutable Intensity Profiles Based on Spin‐Decoupled Geometric Metasurfaces
Authors: Sun Bowen , Zang Xiaofei , Lu Binbin , Chi Haoxiang , Zhou Yiwen , Zhu Yiming , Zhuang Songlin
Published: July 2023

Perfect vortex beams (PVBs) possessing orbital angular momentum (OAM) and constant intensity profile enable practical applications in information encoding and transmission due to an unbounded number of orthogonal OAM channels and fixed annular intensity distributions. Geometric metasurfaces, which are 2D counterparts of metamaterials, have provided an ultra‐compact platform to flexibly design perfect vortex beams in a single flat device. However, the previous reported PVBs based on geometric metasurfaces are limited to ring‐shaped intensity profiles and intrinsic spin‐coupling between two orthogonal spin‐components. Here, spin‐decoupled geometric metasurfaces encoding with two‐step coordinate transformations are proposed to generate helicity‐independent PVBs with transmutable intensity profiles. By tailoring local phase gradient along the azimuthal direction, spin‐independent and polarization‐rotated terahertz (THz) PVBs with CN‐fold rotationally symmetric intensity profiles have been theoretically designed and experimentally demonstrated. Furthermore, THz PVBs with arbitrary intensity profiles have also been realized. The unique approach for simultaneously manipulating the spiral phase, focusing phase, as well as intensity profiles will open a new avenue to develop multifunctional integrated devices and systems, which enables potential applications in information processing and optical communication.
Advancements in Airborne Viral Nucleic Acid Detection with Wearable Devices
Authors: Godin Ryan , Hejazi Sepehr , Reuel Nigel F.
Published: July 2023

Wearable health sensors for an expanding range of physiological parameters have experienced rapid development in recent years and are poised to disrupt the way healthcare is tracked and administered. The monitoring of environmental contaminants with wearable technologies is an additional layer of personal and public healthcare and is also receiving increased focus. Wearable sensors that detect exposure to airborne viruses can alert wearers of viral exposure and prompt proactive testing and minimization of viral spread, benefitting their own health and decreasing community risk. With the high levels of asymptomatic spread of Coronavirus Disease 2019 (COVID‐19) observed during the pandemic, such devices can dramatically enhance the pandemic response capabilities in the future. To facilitate advancements in this area, this review summarizes recent research on airborne viral detection using wearable sensing devices, as well as technologies suitable for wearables. Since the low concentration of viral particles in the air poses significant challenges to detection, methods for airborne viral particle collection and viral sensing are discussed in detail. A special focus is placed on nucleic acid‐based viral sensing mechanisms due to their enhanced ability to discriminate between viral subtypes. Important considerations for integrating airborne viral collection and sensing on a single wearable device are also discussed.
A Binder‐Free and Flexible VOPO4/CNT Film as Cathode for Aqueous Rechargeable Zn‐Metal Battery
Authors: Dilwale Swati , Babu Athira , Puthiyaveetil Priyanka Pandinhare , Kurian Maria , Ghosh Meena , Kurungot Sreekumar
Published: July 2023

Aqueous rechargeable Zn‐metal batteries (AZMBs) are promising energy storage aids due to their inherent safety, low cost, and competent performance, with prospects in stationary and portable applications. In this regard, one of the critical requirements is developing electrodes that can adapt to mechanical deformation without compromising the charge storage performance. The current work demonstrates the development of a binder‐free and mechanically flexible composite cathode film (VP/fCNT‐F, where ‘F’ stands for the film) based on VOPO4 (VP) and functionalized carbon nanotubes (fCNTs). The VP/fCNT‐F film processing involves simple vacuum filtration of the composite obtained from the in‐situ reaction of the fCNTs and the VP precursor in an aqueous medium. The functionalization of carbon nanotube (CNT) is important for the homogenous dispersion of VP and fCNT. The VP/fCNT‐F electrode is used as a monolithic electrode in AZMB cells in combination with both liquid and quasi‐solid‐state gel polymer electrolytes. Besides, the utility of the VP/fCNT‐F electrode in a flexible battery configuration is also demonstrated. Interestingly, in both the coin‐cell and flexible configurations, the VP/fCNT‐F electrode delivers a comparable discharge capacity of 90 and 78 mAh g−1, respectively (at 0.1 A g−1), validating the advantage of the binder‐free VP/fCNT‐F electrode for AZMBs.
MTA1, a Novel ATP Synthase Complex Modulator, Enhances Colon Cancer Liver Metastasis by Driving Mitochondrial Metabolism Reprogramming
Authors: Wang Ting , Sun Fangzhou , Li Chunxiao , Nan Peng , Song Yan , Wan Xuhao , Mo Hongnan , Wang Jinsong , Zhou Yantong , Guo Yuzheng , Helali Aya Ei , Xu Dongkui , Zhan Qimin , Ma Fei , Qian Haili
Published: July 2023

Liver metastasis is the most fatal event of colon cancer patients. Warburg effect has been long challenged by the fact of upregulated oxidative phosphorylation (OXPHOS), while its mechanism remains unclear. Here, metastasis‐associated antigen 1 (MTA1) is identified as a newly identified adenosine triphosphate (ATP) synthase modulator by interacting with ATP synthase F1 subunit alpha (ATP5A), facilitates colon cancer liver metastasis by driving mitochondrial bioenergetic metabolism reprogramming, enhancing OXPHOS; therefore, modulating ATP synthase activity and downstream mTOR pathways. High‐throughput screening of an anticancer drug shows MTA1 knockout increases the sensitivity of colon cancer to mitochondrial bioenergetic metabolism‐targeted drugs and mTOR inhibitors. Inhibiting ATP5A enhances the sensitivity of liver‐metastasized colon cancer to sirolimus in an MTA1‐dependent manner. The therapeutic effects are verified in xenograft models and clinical cases. This research identifies a new modulator of mitochondrial bioenergetic reprogramming in cancer metastasis and reveals a new mechanism on upregulating mitochondrial OXPHOS as the reversal of Warburg effect in cancer metastasis is orchestrated.
Metal‐, Oxidant‐, and Additive‐Free Sulfenylation of Imidazo[1,2‐a]pyridines Using Sulfenamides and an I2 Catalyst
Authors: Qiao Huijie , Zhao Kun , Zhu Xilin , Xu Xiaoxu , Wang Chunyang , Zhong Lulu , Wang Shixing , Yang Liting , Yang Dehong , Liu Guoqun , Lin Chunlei , Jiao Mingli
Published: July 2023

A novel sulfenylation reagent (sulfenamide) was applied to establish a simple and efficient process to convert C−H bond in imidazo[1,2‐a]pyridine to C−S bond. This process only requires sulfenamides as the sulfenylation reagent and I2 as an inexpensive and readily available catalyst, without using metal catalysts, oxidants, additives, or even light radiation. The proposed reaction features excellent reactivity, substrate compatibility, and regioselectivity.
Fabrication of Chitosan‐β‐cyclodextrin‐Fe nanofibers for the adsorption of As‐III from aqueous solution using a lab‐scale filtration system
Authors: Jamali Ahmed Ali , Mahar Faraz Khan , Hussain Nadir , Khatri Muzamil , Ullah Azeem , Ahmed Farooq , Khatri Zeeshan , Kim Ick Soo
Published: July 2023

Arsenate species are hazardous, toxic, and carcinogenic, they pose a significant risk to human health. In this finding, we have fabricated the Chitosan, β‐cyclodextrin and Fe2O3 (CS‐βCD‐Fe2O3) composite nanofibers through electrospinning for arsenic (As‐III) adsorption in a lab‐scale designed continuous filtration system. The SEM images have shown the bead free morphology of the prepared nanofibers and chemical composition was characterized by Fourier transforms infrared (FTIR) spectroscopy. The experimental data supported monolayer adsorptions by having a good fit to the Langmuir model. Further, kinetic studies have been conducted to illustrate the adsorption of As‐III onto CS‐βCD‐Fe2O3. The CS‐βCD‐Fe2O3 nanofibers at neutral pH have shown 83% adsorption efficiency of As‐III in the batch experiments and 72% in continuous filtration system with a flow rate of 660 mL/h. Additionally, the reusability of the nanofibers was performed, and 60% adsorption efficiency was achieved up to the 5th cycle for batch adsorption. Our prepared composite CS‐βCD‐Fe2O3 nanofibers could be used in both batch adsorption and continuous filtration system for removal of As‐III from aqueous solution.
A facile method to fabricate thermally stable methacrylate‐terminated oligo(2,6‐dimethyl‐1,4‐phenylene oxide)/benzoxazine thermosetting resins with low dielectric constants and losses at 10 GHz
Authors: Zeng Ming , Tan Dengru , Feng Zijian , Luo Haoyu , Lu Xiang , Zhou Yang , Shen Yufang , Liu Faxi , Xu Qingyu
Published: July 2023

Poly(2,6‐dimethyl‐1,4‐phenylene oxide) (PPO) as a kind of low dielectric polymer has been applied in telecommunications. However, developing PPO based thermosetting resins with good comprehensive properties is highly challenging. Herein, an interpenetrating polymer network (IPN) design strategy for the preparation of methacrylate‐terminated oligo(2,6‐dimethyl‐1,4‐phenylene oxide) (SA9000) based thermosetting resins is presented. Two series of prepolymers are prepared by blending bisphenol A/furfurylamine benzoxazine (B‐f) or bisphenol A/aniline benzoxazine (B‐a) with SA9000. Then the IPN films are fabricated by the programmed temperature rising method with simultaneous polymerization reactions of both SA9000 and benzoxazines. Owing to the intermolecular interactions between SA9000 and benzoxazines, the polymerization peak temperatures of all prepolymers are lower than those of SA9000 and benzoxazines. In comparison with B‐a based films, B‐f/SA9000 films display better miscibility and higher thermal resistances over the entire composition range, due to the strengthened hydrogen bonding and higher cross‐linking density resulting from the presence of furan ring of B‐f. Specifically, B‐f/SA9000 films possess the advantages of low dielectric constants (2.296–2.475) and low‐loss grade dielectric losses (0.00550–0.00683) at 10 GHz. The current work provides a simple and effective path for the fabrication of high‐performance thermosetting PPO resins based on benzoxazine chemistry and IPN structure design.
Interfacial insight of core@double‐shell Mo@MoO3@PS/PVDF composites towards prominently meliorative dielectric performances
Authors: Wang Fang , Zhou Wenying , Chen Xiaolong , Kong Fanrong , Lin Shuangquan , Yang Yating , Cai Jiangtao , Cai Huiwu
Published: July 2023

Polymer dielectrics with synergistically large dielectric permittivity (ε') and breakdown strength (Eb) but prohibited loss is of crucial applications in the electronic devices and power equipment. In this study, we aim to elevate the integrated dielectric performances of molybdenum (Mo)/polyvinylidene fluoride (PVDF) by constructing a semiconducting molybdenum oxide (MoO3) shell and insulating polystyrene (PS) shell on the Mo surface through high‐temperature oxidation followed by suspension polymerization. The resulting core@double‐shell Mo@MoO3@PS particles were compounded with PVDF to achieve high ε' and Eb while minimizing the loss. The results reveal that the Mo@MoO3@PS/PVDF composites indicate simultaneously ameliorative ε' and Eb along with restrained loss owing to the existence of the MoO3@PS double‐shell, which not only prominently enhances the interfacial compatibility and interactions between fillers and PVDF, but significantly inhibits the conductivity and loss through impeding the long‐distance motion of carrier charges. The dielectric capabilities could be improved by adjusting the thickness of the PS interlayer. The Havriliak‐Negami equation was used to fit the experimental results, which showed the impact of the PS shell on the polarization mechanism and how it inhibits carrier migration. The Mo@MoO3@PS/PVDF with high ε' and Eb yet exceptionally low loss exhibit potential applications in microelectronics and electrical industries.
Inert Transition Metal Ion Complexes in Organic Synthesis: Protection and Activation
Authors: Donnelly Paul S. , Harrowfield Jack M. , Koutsantonis George A. , Lengkeek Nigel A. , Ling Irene , Nealon Gareth L. , McInnes Lachlan E. , Skelton Brian W. , Sobolev Alexandre N. , White Allan H. , White Jonathan M.
Published: July 2023

Single‐crystal X‐ray diffraction studies for a variety of metal ion complexes of functionalised sarcophagines (sarcophagine=sar=3,6,10,13,16,19‐hexa‐azabicyclo[6.6.6]icosane) have further confirmed not only that the form of the metal ion/sar unit is unique for each metal, albeit with a sensitivity of the conformation to the associated counter anions, but also that for any given metal and ligand substituent, the dimensions (bond lengths and angles) of the complex and the substituent at the secondary nitrogen centres do not differ significantly from those of the isolated components. Despite this, where the substituent contains reactive sites, the reactivity differs markedly from that of their form in an uncoordinated substrate. Rationalisations are offered for these differences, in part through the use of Hirshfeld surface analysis of the intermolecular interactions. The kinetic inertness of the complexes means that the metal ions can be considered to act as regioselective protecting groups.
Robust nonlinear MPC without terminal constraint for tracking changing setpoints in the presence of non‐additive unknown disturbance
Authors: Zamani Abbas , Bolandi Hossein
Published: July 2023

This paper develops a novel robust tracking model predictive control (MPC) without terminal constraint for discrete‐time nonlinear systems capable to deal with changing setpoints and unknown non‐additive bounded disturbances. The MPC scheme without terminal constraint avoids difficult computations for the terminal region and is thus simpler to design and implement. However, the existence of disturbances and/or sudden changes in a setpoint may lead to feasibility and stability issues in this method. In contrast to previous works that considered changing setpoints and/or additive slowly varying disturbance, the proposed method is able to deal with changing setpoints and non‐additive non‐slowly varying disturbance. The key idea is the addition of tightened input and state (tracking error) constraints as new constraints to the tracking MPC scheme without terminal constraints based on artificial references. In the proposed method, the optimal tracking error converges asymptotically to the invariant set for tracking, and the perturbed system tracking error remains in a variable size tube around the optimal tracking error. Closed‐loop input‐to‐state stability and recursive feasibility of the optimization problem for any piece‐wise constant setpoint and non‐additive disturbance are guaranteed by tightening input and state constraints as well as weighting the terminal cost function by an appropriate stabilizing weighting factor. The simulation results of the satellite attitude control system are provided to demonstrate the efficiency of the proposed predictive controller.
Sensitivity analysis and adaptive mutation strategy differential evolution algorithm for optimizing enzymes' turnover numbers in metabolic models
Authors: Fan Xingcun , Cao Lingfeng , Yan Xuefeng
Published: July 2023

Genome‐scale metabolic network model (GSMM) based on enzyme constraints greatly improves general metabolic models. The turnover number () of enzymes is used as a parameter to limit the reaction when extending GSMM. Therefore, turnover number plays a crucial role in the prediction accuracy of cell metabolism. In this work, we proposed an enzyme‐constrained GSMM parameter optimization method. First, sensitivity analysis of the parameters was carried out to select the parameters with the greatest influence on predicting the specific growth rate. Then, differential evolution (DE) algorithm with adaptive mutation strategy was adopted to optimize the parameters. This algorithm can dynamically select five different mutation strategies. Finally, the specific growth rate prediction, flux variability, and phase plane of the optimized model were analyzed to further evaluate the model. The enzyme‐constrained GSMM of Saccharomyces cerevisiae, ecYeast8.3.4, was optimized. Results of the sensitivity analysis showed that the optimization variables can be divided into three groups based on sensitivity: most sensitive (149 c), highly sensitive (1759 ), and nonsensitive (2502 ) groups. Six optimization strategies were developed based on the results of the sensitivity analysis. The results showed that the DE with adaptive mutation strategy can indeed improve the model by optimizing highly sensitive parameters. Retaining all parameters and optimizing the highly sensitive parameters are the recommended optimization strategy.
Characteristics of dough prepared with coconut oil
Authors: Nemoto Kaho , Kobayashi Fumiyuki , Odake Sachiko
Published: July 2023

Background and objectives

This study investigated the use of coconut oil as an alternative to butter and shortening in bread making by analyzing the dough characteristics for feasibility.

Findings

In the fermentation test, the pH of the dough containing oils and fats was reduced to <5.1 of the threshold, which deteriorated the extensibility. The pH further decreased with an increased CO2 emission rate from the dough. In the compression test, the stress of the dough containing oils and fats was lower than that without it. However, the stress on gluten‐containing oils and fats was significantly high and differed based on the type of oils and fats. A large network structure of gluten with distributed starch granules was observed using scanning electron microscopy in the dough containing oils and fats. Numerous starch granules were uniformly distributed in the spaces of the gluten network structure, making the dough softer.

Conclusions

It was recognized that the characteristics of the dough containing coconut oil were similar to that of the dough containing butter or shortening.

Significance and novelty

This study suggested that coconut oil can be used as an alternative oil and fat to butter or shortening for bread making.
Corn and soybean planting order decisions impact farm gross revenue
Authors: Mourtzinis Spyridon , Conley Shawn P.
Published: July 2023

The inter‐annual corn (Zea mays L.)–soybean [Glycine max (L.) Merr.] rotation field is a well‐known management practice that increases the yield of both crops across the midwestern United States. Each spring, farmers must decide which crop will be planted first. Prioritizing the planting of one crop can delay planting of the other, which can result in substantial yield loss and reduced associated revenue. The objective of this work was to assess how gross farm revenue (corn + soybean acres) can be affected by crop planting order (corn first, soybean second, and vice versa). The impact of variable planting dates on the yield of each crop was simulated for 310 fields across the United States. Gross farm revenue was estimated as a function of crop planting date, order, input costs and crop prices. In a randomly chosen field in south central Wisconsin, 1 out of the 310, delaying planting after May 1 reduced yield of each crop and subsequently suppressed gross farm revenue. Crop planting order determined farm revenue due to a variable loss in per day yield rate within the nominal planting timeframe associated with the two crops. In addition, the degree to which management intensified for each crop relative to crop yield potential accruing with earlier planting varied by state and further impacted farm revenue. Overall results suggest that to determine planting order, US farmers need to be aware of the comparative yield trends associated with delayed planting of corn vs. soybean for their specific farms and cropping systems and should also account for projected crop selling prices.
Barrier‐forming, drug‐free nasal spray reduces allergic symptoms induced by house dust mite allergen
Authors: Couroux Patricia , Grosse Nicole , Salapatek Anne Marie , Goyal Yasmeen , Pfaar Oliver , Hohenfeld Ilja P.
Published: July 2023

Background

House Dust Mite (HDM) is the most common indoor allergen triggering allergic symptoms. First‐line pharmacotherapy treatment is recommended in international guidelines, while the avoidance of allergens represents a still unmet guideline principle. AM‐301 is a new non‐pharmacological nasal spray that creates a protective gel‐like barrier on the nasal mucosa, preventing the contact with the allergens.

Methods

This randomized, open‐label, 3‐period crossover study assessed the efficacy and safety of AM‐301. The objective was to determine whether AM‐301 reduces allergic rhinitis (AR) symptoms in patients exposed to HDM allergens. Adults with confirmed Perennial Allergic Rhinitis (PAR; n = 37) were exposed to HDM allergen in a controlled Allergen Exposure Chamber before and during a treatment course of AM‐301 (in six different sequences) within 3 weeks (A: One spray AM‐301 per nostril/B: Two sprays AM‐301 per nostril/C: no treatment). For the primary efficacy analysis, data from the total nasal symptom score (TNSS) were pooled from treatment A + B (D) and analyzed with Analysis of Covariance Model. As secondary endpoints, single time points, visits and symptoms were analyzed.

Results

The primary endpoint (overall change in TNSS from baseline over all three visits) showed significant results (p = 0.0085). A comparable alleviation of all four symptoms (itchy nose, nasal congestion, runny nose, sneezing) by the protective layer started to emerge after 40 min and lasted up to 180 min (end of challenge). AM‐301 resulted to be safe and well‐tolerated.

Conclusion

AM‐301 significantly reduced HDM‐related allergic symptoms in a standardized allergen challenge. Protection was observed to last up to 180 min.
Promoting lung cancer screening of high‐risk patients by primary care providers
Authors: Colamonici Marco , Khouzam Nader , Dell Catherine , Auge‐Bronersky Kristin , Pacheco Esther , Rubinstein Israel , Recht Bradley
Published: July 2023

Background

Lung cancer screening (LCS) with low‐dose computed tomography (LDCT) of the chest of eligible patients remains low. Accordingly, augmentation of appropriate LCS referrals by primary care providers (PCPs) was sought.

Methods

The quality improvement (QI) project was performed between April 2021 and June 2022. It incorporated patient education, shared decision‐making (SDM) with PCPs, and tracking of initial LDCT completion. In each case, lag time (LT) to LCS and pack‐years (PYs) were calculated from initial LCS eligibility. The cohort’s scores were compared to national scores. Patient zip codes were used to create a geographic map of our cohort for comparison with public health data.

Results

An immediate and sustained increase in weekly LCS referrals from PCPs was recorded. Of 337 initial referrals, 95% were men, consisting of 66.2% Black, 28.4% White, and 5.4% other. Mean PY was less for minorities (45.3 vs. 37.3 years; p = .0002) but mean LT was greater for Whites (7.9 vs. 6.2 years; p = .03). Twenty‐five percent of veterans failed to report to their scheduled screening, and two declined referrals. Notably, most no‐show patients lived in transit deserts. Furthermore, Lung‐RADS scores 4B/4X were more than double the expected prevalence (p = .008).

Conclusions

The PCPs in this study successfully augmented LCS referrals. A substantial proportion of these patients were no‐shows, and our data suggest complex racial and socioeconomic factors as contributing variables. In addition, a higher‐than‐expected number of initial Lung‐RADS scores 4B/4X were reported. A large, multisite QI project is warranted to address overcoming potential transportation barriers in high‐risk patient populations.
Clinic choice of long or short segment pedicle screw‐rod fixation in the treatment of thoracolumbar burst fracture: From scan data to numerical study
Authors: Xu Jiangping , Yin Zhijun , Li Yang , Xie Yanqiu , Hou Jiangping
Published: July 2023

Based on computerized tomography scanning images of human lumbar vertebrae, finite element (FE) analysis is performed to predict the stress of pedicle screws, rods, and fractured vertebra as well as the displacement of fractured vertebra after internal fixation treatment of thoracolumbar burst fracture. A three‐dimensional FE model of L1–L5 lumbar vertebrae with L3 burst fracture has been established and four fixation methods, namely, short segment cross‐ and trans‐injured vertebrae, long segment cross‐ and trans‐injured vertebrae fixations, have been adopted to perform posterior pedicle fixation. The stress distributions of the screws, rods, and fractured vertebra and the total deformation of the fractured vertebra are investigated under six different physiological motions. From the view of the stress on the screw‐rod system and the deformation of the fractured vertebral body, the long segment cross‐injured vertebra fixation has the best mechanical performance, followed by the long segment trans‐injured vertebra fixation, and then the short segment fixation trans‐injured vertebra. The short segment fixation cross‐injured vertebra performs the worst. Among the six motions, the forward flexion movement has the greatest impact on the screw‐rod system and the fractured vertebra. However, the rotation motion greatly affects the stress of the screw in the long segment fixation. This indicates that the longer the fixed segment is, the more susceptible it is to human rotation. Thus, for patients with severe fracture, the long segment cross‐injured vertebra is preferred. On the contrary, the short segment trans‐injured vertebra fixation is optimal.
Single‐step Production of Photocatalytic Surfaces via Direct Laser Interference Patterning of Titanium
Authors: Fox Tobias , Maria Delfino Pablo , Cortés Francisco , Pauly Christoph , Wyn Müller Daniel , Briesenick Max , Kickelbick Guido , Mücklich Frank
Published: July 2023

State of the art approaches to produce photocatalytic surfaces generally require multiple processing steps to achieve highly active surfaces. Following recent trends to facilitate the production of active surfaces, this work presents a single‐step method to create porous photocatalytic surfaces via direct laser interference patterning (DLIP) of a titanium substrate with pulses in the picosecond range. The resulting surfaces contain a variety of titanium oxides while both their composition and morphology can be controlled through the laser process parameters. This makes it possible to tailor these surfaces for specific applications such as antimicrobial surfaces, implant materials or water treatment. Surface characterization was executed by applying scanning electron microscopy complemented by focused ion beam cross‐sectioning and energy dispersive X‐ray spectroscopy as well as gracing incidence X‐ray diffractometry. The photocatalytic activity achieved by different laser parameters is assessed by methylene blue degradation under UV‐A light. As DLIP is already established in industrial applications, this approach could greatly facilitate the use of photocatalytic surfaces for water treatment or medical applications, as it does not require nanoparticle synthesis or additional coating steps.
High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules
Authors: Mitrushchenkov Alexander O. , Pilar de Lara‐Castells María
Published: July 2023

Novel highly selective synthesis techniques have enable the production of atomically precise monodisperse metal clusters (AMCs) of subnanometer size. These AMCs exhibit ‘molecule‐like’ structures that have distinct physical and chemical properties, significantly different from those of nanoparticles and bulk material. In this work, we study copper pentamer Cu5 clusters as model AMCs by applying both density functional theory (DFT) and high‐level (wave‐function‐based) ab initio methods, including those which are capable of accounting for the multi‐state multi‐reference character of the wavefunction at the conical intersection (CI) between different electronic states and augmenting the electronic basis set till achieving well‐converged energy values and structures. After assessing the accuracy of a high‐level multi‐multireference ab initio protocol for the well‐known Cu3 case, we apply it to demonstrate that bypiramidal Cu5 clusters are distorted Jahn‐Teller (JT) molecules. The method is further used to evaluate the accuracy of single‐reference approaches, finding that the coupled cluster singles and doubles and perturbative triples CCSD(T) method delivers the results closer to our ab initio predictions and that dispersion‐corrected DFT can outperform the CCSD method. Finally, we discuss how JT effects and, more generally, conical intersections, are intimately connected to the fluxionality of AMCs, giving them a ‘floppy’ character that ultimately facilitates their interaction with environmental molecules and thus enhances their functioning as catalysts.
Polydopamine‐Derived Carbon Catalysts with Optimized Structure‐Activity Design towards Electrochemical CO2 Reduction to CO
Authors: Liang Chenglu , Ye Nini , Li Weiyi , Dai Xiangrui , Huang Yuanpeng , Chen Jinxiang , Liu Yang
Published: July 2023

Electrochemical reduction of CO2 into chemical feedstocks has been regarded as an attractive way to reconstruct the carbon cycle. In this work, nitrogen‐doped carbon was prepared by high temperature pyrolysis using polydopamine (PDA) microspheres as precursors. The effects of doped nitrogen units, surface hydrophilicity and pore structures of the N‐Carbon catalysts on the CO2 reduction reaction (CO2RR) activities were systematically investigated. It was demonstrated that the competition between the hydrogen evolution reaction (HER) and the CO2RR under reduction potentials was modified by the nature of surface hydrophilicity/hydrophobicity and the doped nitrogen units. The CO2RR activities were further optimized via the pore structures regulation. Results showed that pore structure with size below 1 nm was favorable for CO2RR and the developed N‐Carbon catalysts with optimized nitrogen units, hydrophilicity, and pore structure achieved a high CO2 to CO Faradaic efficiency of 95 % in the H‐cell.
Effect of vitamin D deficiency on postorthodontic relapse: An animal study
Authors: Khamees Asmaa M. , Al Groosh Dheaa H.
Published: July 2023

Objectives

This study aims to evaluate the effect of vitamin D deficiency (VDD) on orthodontic tooth movement (OTM), retention, and relapse and to assess the effect of systemic administration of vitamin D (VD) in a rat model.

Materials and Methods

A total of 32 male Wistar rats were divided into two groups, a control group of 11 rats and an experimental group of 21 rats with VDD, after enhancement using a custom diet. Of the VDD group, 11 rats were supplemented with systemic vitamin D3 and categorized as vitamin (VD supplement [VDS]) groups. The VDS group received 40,000 IU/kg via intramuscular injection on Days 1 and 15 of the orthodontic treatment period. A modified orthodontic appliance was fitted to apply 0.5 N of force to move the maxillary right first molars mesially for 14 days, followed by retention and relapse periods for 7 days. Space created during OTM was measured and reassessed after the retention and relapse periods. The relapse ratio was estimated, and histomorphometric analysis was performed to assess the number of osteoblasts, osteoclast bone cells, and bone area.

Results

A significant increase in the relapse ratio and a reduction in osteoblast cells and bone area were observed in the VDD group. By contrast, the amount of tooth movement was significantly higher together with osteoblast cells and bone marrow in VDS with a significant reduction in relapse ratio.

Conclusion

VDD was associated with a significant reduction in osteoblast cell count and total bone area in addition to a significant increase in relapse ratio. Routine screening of VD may be beneficial before commencing orthodontic treatment.
The effects of abnormal visual experience on neurodevelopmental disorders
Authors: Fakheir Yara , Khalil Reem
Published: July 2023

Normal visual development is supported by intrinsic neurobiological mechanisms and by appropriate stimulation from the environment, both of which facilitate the maturation of visual functions. However, an offset of this balance can give rise to visual disorders. Therefore, understanding the factors that support normal vision during development and in the mature brain is important, as vision guides movement, enables social interaction, and allows children to recognize and understand their environment. In this paper, we review fundamental mechanisms that support the maturation of visual functions and discuss and draw links between the perceptual and neurobiological impairments in autism spectrum disorder (ASD) and schizophrenia. We aim to explore how this is evident in the case of ASD, and how perceptual and neurobiological deficits further degrade social ability. Furthermore, we describe the altered perceptual experience of those with schizophrenia and evaluate theories of the underlying neural deficits that alter perception.
Differing drivers of decline within a migratory metapopulation has implications for future conservation
Authors: Ozsanlav‐Harris Luke , Hilton Geoff M. , Griffin Larry R. , Walsh Alyn J. , Cao Lei , Weegman Mitch D. , Bearhop Stuart
Published: July 2023

Researchers generally ascribe demographic drivers in a single sub‐population and presume they are representative. With this information, practitioners implement blanket conservation measures across metapopulations to reverse declines. However, such approaches may not be appropriate in circumstances where sub‐populations are spatiotemporally segregated and exposed to different environmental variation. The Greenland White‐fronted Goose, Anser albifrons flavirostris, is an Arctic‐nesting migrant that largely comprises two sub‐populations (delineated by northerly and southerly breeding areas in west Greenland). The metapopulation has declined since 1999 but this trend is only mirrored in one sub‐population and the causes of this disparity are unclear. Here we compare the drivers and trends of productivity in both sub‐populations using population‐ and individual‐level analysis. We examined how temperature and precipitation influenced population‐level reproductive success over 37 years and whether there was a change in the relationship when metapopulation decline commenced. In addition, we used biologging devices to remotely classify incubation events for 86 bird‐years and modelled how phenology and environmental conditions influenced individual‐level nest survival. Correlations between reproductive success and temperature/precipitation on the breeding grounds have weakened for both sub‐populations. This has resulted in lower reproductive success for the northerly, but not southerly breeding sub‐population, which at the individual‐level appears to be driven by lower nest survival. Earlier breeding ground arrival and less precipitation during incubation increased nest survival in the northerly breeding population, while no factors examined were important for the southerly breeding sub‐population. This suggests reproductive success is driven by different factor(s) in the two sub‐populations. Demographic rates and their environmental drivers differ between the sub‐populations examined here and consequently we encourage further decomposition of demography within metapopulations. This is important for conservation practitioners to consider as bespoke conservation strategies, targeting different limiting factors, may be required for different sub‐populations.
Alternative Functionalization of Hydrogen‐Bonded Diketopyrrolopyrrole Derivatives**
Authors: Martinez Gabriel , Ávila‐Rovelo Nelson Ricardo , Carmona‐Vargas Christian C. , Id‐boubrik Imrane , Ruiz‐Carretero Amparo
Published: July 2023

Diketopyrrolopyrrole (DPP) derivatives with thiophene capping rings are widely used as semiconductors in organic electronics. Their optoelectronic properties can be adjusted by adding different electroactive groups or by extending the conjugation of the central core, as well as by regulating their self‐assembly through noncovalent interactions. One effective strategy demonstrated to improve the performance and morphology of organic solar cells is incorporating hydrogen‐bonding units into DPPs. While the functionalization of the DPP lactams and the coupling of aromatic units to the thiophene rings are the most common procedures to tune the properties of such derivatives, modifying the thiophene capping units with hydrogen‐bonding groups is a challenging synthetic task. Despite this difficulty, incorporating amide‐containing substituents into the thiophene rings of single core thiophene‐capped DPP derivatives could yield exciting results, as the advantages of having hydrogen‐bonded π‐conjugated systems based on these modified DPPs have not been explored thoroughly. This work reports on an efficient method for synthesizing such derivatives.
Tuning CH4 Productivity from Visible Light‐Driven Gas‐Phase CO2 Photocatalytic Reduction on Doped g‐C3N4/TiO2 Heterojunctions
Authors: Hammoud Leila , Marchal Clément , Colbeau-Justin Christophe , Toufaily Joumana , Hamieh Tayssir , Caps Valérie , Keller Valérie
Published: July 2023

Herein, visible light‐driven gas‐phase photocatalytic CO2 reduction into CH4 is tuned by designing optimized three‐component Au/doped C3N4/TiO2 composite photocatalysts. The key point strategy consists in the formation of high‐quality C3N4/TiO2 heterojunction by associating low containing doped graphitic carbon nitride to commercially available TiO2 UV‐100. Those heterojunctions result in both visible light sensitization and increased charge‐carrier separation. Further deposition of small Au nanoparticles (≈3 nm), quite exclusively onto TiO2 surfaces, mainly acts as electron trapping/cocatalytic functions without excluding surface plasmonic effects. The resulting doped g‐C3N4 material exhibits enhanced visible light harvesting properties, especially in the case of C‐doping. In addition, it is assumed that B– and C–C3N4 doping, leading to a more or less lower conduction band position, is the impacting factor toward total CH4 selectivity achievement. The (0.77 wt%)Au/(0.59 wt%)C–C3N4/TiO2 composite photocatalyst, exhibiting the best compromise between the various impacting factors, leads to a continuous productivity rate of CH4 of 8.5 μmol h−1 g−1 under visible light irradiation over at least 10 h. To the best of knowledge, this level of performance is unprecedented under continuous gas‐phase flowing CO2 in the presence of water as reducing agent, without addition of any sacrificial agent.
Scrap Recovery of n‐Type Bismuth Telluride Ingot by Second Zone Melting and PbBr2 Doping
Authors: Zhuang Shuai , Liu Guoqiang , Cai Jianfeng , Zhang Manhong , Hu Haoyang , Wu Jiehua , Sun Peng , Tan Xiaojian , Jiang Jun
Published: July 2023

Bismuth telluride is the only commercially applied thermoelectric material. The n‐type material is usually prepared by the method of zone melting; however, the utilization ratio of the ingot is relatively low, owing to the bad thermoelectric performance of the two ends. Herein, the waste of n‐type bismuth telluride is recovered by the second zone melting and PbBr2 doping. It is shown that the second zone melting can improve the grain alignment, leading to the increase of carrier mobility. When PbBr2 doping is introduced, lattice thermal conductivity is largely reduced by the high dense dislocations. As a result, the peak power factor and maximum ZT reach 53 μW cm−1 K−2 and 1.15, respectively, which are even higher than the values of the original commercial material. This work provides an economic and applicable strategy to recover the waste of bismuth telluride thermoelectric materials.