bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boosting the Catalytic Activity of Nitrogen Sites by Spin Polarization Engineering for Oxygen Reduction and Wide‐Temperature Ranged Quasi‐Solid Zn–Air Batteries
Authors: Wei Yifan , Xia Huicong , Lan Haihui , Xue Dongping , Zhao Bin , Yu Yue , Hu Yongfeng , Zhang Jia‐Nan 
Published: December 2023

AbstractThe oxygen reduction reaction (ORR) is a crucial cathode reaction for developing quasi‐solid zinc–air batteries (QZABs) with high energy density. However, the activity and stability of catalysts under extreme conditions have not been fully explore. Herein, a series of systematic experiments and theoretical calculations have been conducted to investigate the potential of introducing FexCoy into nitrogen (N)‐doped porous carbon (NPC) via one‐step pyrolysis to form a core–shell structure that can effectively enhance the activity of the catalysts, particularly at low temperatures. Due to the difference in the work function of 5.12, 5.11, and 5.06 eV, the spin‐polarized charge is transferred to the pyridinic‐N site on the surface under the charge transfer. Consequently, the pyridinic‐N site on the surface exhibits varying degrees of magnetic moment 0.024 µB, which is crucial for forming OOH* and enhances ORR activity. The Fe5Co5@NPC catalyst is evaluated for QZABs at −40 °C and achieved a power density of up to 117.6 mW cm−2, which is only 18.7% lower than normal temperature, and a cycle life of up to 300 h. This study provides a means to realize the design of QZABs catalysts in extreme environments and explore their application potential.
Synthesis and evaluation of hybrid sulfonamide‐chalcones with potential antileishmanial activity
Authors: de Oliveira Nathalia S. , de Souza Luana G. , de Almeida Vitor M. , Barreto Arielly R. R. , Carvalho‐Gondim Felipe , Schaeffer Edgar , Santos‐Filho Osvaldo A. , Rossi‐Bergmann Bartira , da Silva Alcides J. M. 
Published: December 2023

AbstractLeishmaniasis is an emerging tropical infectious disease caused by a protozoan parasite of the genus Leishmania. In this work, the molecular hybridization between a trimethoxy chalcone and a sulfonamide group was used to generate a series of sulfonamide‐chalcones. A series of eight sulfonamide‐chalcone hybrids were made with good yields (up to 95%). These sulfonamide‐chalcones were tested against promastigotes of Leishmania amazonensis and cytotoxicity against mouse macrophages, which showed good antileishmanial activity with IC50 = 1.72–3.19 µM. Three of them (10c, 10g, and 10h) were also highly active against intracellular amastigotes and had a good selectivity index (SI > 9). Thus, those three compounds were docked in the cytosolic tryparedoxin peroxidase (cTXNPx) enzyme of the parasite, and molecular dynamics simulations were carried out. This enzyme was selected as a target protein for the sulfonamide‐chalcones due to the fact of the anterior report, which identified a strong and stable interaction between the chalcone NAT22 (6) and the cTXNPx. In addition, a prediction of the drug‐likeness, and the pharmacokinetic profile of all compounds were made, demonstrating a good profile of those chalcones.
A highly sensitive micelle‐enhanced synchronous spectrofluorimetric determination of the recently approved co‐formulated drugs, bilastine and montelukast in pharmaceuticals and human plasma at nanogram levels
Authors: Magdy Galal , El Hamd Mohamed A. , El‐Maghrabey Mahmoud , Zainy Faten M. , Mahdi Wael A. , Alshehri Sultan , Alsaggaf Wejdan T. , Radwan Aya Saad 
Published: December 2023

AbstractIn this study, the simultaneous determination of bilastine and montelukast, two recently approved co‐formulated antihistaminic medications, was accomplished using a quick, sensitive, environmentally friendly, and reasonably priced synchronous fluorescence spectroscopic approach for the first time. Enhancement of the method's sensitivity down to nanogram levels was achieved by the addition of sodium dodecyl sulfate (1.0% w/v) as a micellar system. According to the results, bilastine and montelukast's fluorescence was measured at 255.3 and 355.3 nm, respectively, using Δλ of 40.0 nm and distilled water as a green diluting solvent. With respect to the concentration ranges of bilastine (5.0–300.0 ng/ml) and montelukast (50.0–1000.0 ng/ml), the method showed excellent linearity (r ≥ 0.9998). The results showed that the suggested method is highly sensitive, with detection limits of 1.42 and 13.74 ng/ml for bilastine and montelukast, respectively. Within‐run precisions (intra‐ and interday) per cent relative standard deviations (RSD) for both analytes were <0.59%. With high percentage recoveries and low percentage RSD values, the designed approach was successfully applied for the simultaneous estimation of the cited medications in their dosage form and human plasma samples. To evaluate the green profile of the suggested method, an analytical GREENNESS metric approach (AGREE) and green analytical procedure index (GAPI) metric tools were used. These two methods for evaluating greenness confirmed that the developed method met the highest number of green requirements, recommending its use as a green substitute for the routine analysis of the studied drugs. The proposed approach was validated according to ICHQ2 (R1) guidelines.
An overview of malingering and deception in neuropsychiatric cases
Authors: Rogers Richard , Bender Scott D. , Hartigan Sara E. 
Published: December 2023

AbstractForensic practitioners must shoulder special responsibilities when evaluating over‐stated pathology (e.g., malingering) as well as simulated adjustment. Such determinations may modify or even override other clinical findings. As a result, practitioners must be alert to their own misassumptions that may unintentionally bias their conclusions about response styles. Detection strategies for malingering—based on unlikely or markedly amplified presentations—are highlighted in this article. Given page constraints, assessment methods for feigning are succinctly presented with their applications to administrative, civil, and criminal referrals.
High‐Density Immobilization of TCEP on Silica Beads for Efficient Disulfide Reduction and Thiol Alkylation in Peptides
Authors: Schüttel Mischa , Heinis Christian 
Published: December 2023

AbstractTris‐(2‐carboxyethyl)phosphine (TCEP) linked to agarose beads is widely used for reducing disulfide bridges in proteins and peptides. The immobilization of TCEP on beads allows efficient removal after reduction to prevent its reaction with alkylating reagents and thus interference with conjugation reactions. However, a limitation of agarose TCEP is its relatively low reduction capacity per milliliter of wet beads (about 15 μmol/ml), making it unsuitable for the reduction of disulfides from molecules at millimolar concentrations. In this work, we tested the immobilization of TCEP to a range of different solid supports and found that conjugation to silica gel offers TCEP beads with about 8‐fold higher reduction capacity (129±16 μmol/ml wet beads). We show that it allows reducing disulfide‐cyclized peptides at millimolar concentrations for subsequent cyclization by bis‐electrophile linker reagents. Given the substantially higher reduction capacity, the robust performance in different solvents, the low cost of the silica gel, and the ease of functionalization with TCEP, the silica gel‐TCEP is suited for reducing disulfide bridges in essentially any peptide and is particularly useful for reducing peptides at higher concentrations.
Industrially Relevant Conditions in Lab‐Scale Analysis for Alkaline Water Electrolysis
Authors: Thissen Niklas , Hoffmann Julia , Tigges Sebastian , Vogel Dominik A. M. , Thoede Jil J. , Khan Stefanie , Schmitt Nicolai , Heumann Saskia , Etzold Bastian J. M. , Mechler Anna K. 
Published: December 2023

AbstractAlkaline water electrolysis remains one of the most promising technologies for the large‐scale production of green hydrogen. However, further increases in efficiency remain elusive, as new electrode materials that are highly efficient in the laboratory cannot maintain their performance under industrial conditions. Within this work, we present a beaker cell setup, in which the industrial relevance of research materials can already be investigated in the laboratory by applying industrial conditions. Thus, the setup allows for testing at 80 °C in 30 wt. % KOH for more than 300 hours. Electrodes are contacted with an in‐house designed Ni tuck‐in holder and two types of reference electrodes are recommended. In addition, a protocol to unify catalyst research is introduced.
Mechanistic Avenues in the Chan‐Lam‐Based Etherification Reaction: A Computational Exploration
Authors: Pooventhiran Thangaiyan , Khilari Nripen , Koley Debasis 
Published: December 2023

AbstractInvited for the cover of this issue is the group of Koley and co‐workers at the Indian Institute of Science Education and Research (IISER) Kolkata. The image depicts the industrial generation of the product from the available starting materials in a catalytic cycle. Read the full text of the article at 10.1002/chem.202302983.
The efficacy and safety of oral microecological agents as add‐on therapy for atopic dermatitis: A systematic review and meta‐analysis of randomized clinical trials
Authors: Xue Peiwen , Qin Haiyan , Qin Di , Liu Huilin , Li Juan , Jin Rongjiang , Xiao Xianjun 
Published: December 2023

AbstractBackgroundAtopic dermatitis (AD) is a common skin disease that is hard to completely cure in a short time. Guidelines recommend the use of topical corticosteroids (TCS) as first‐line anti‐inflammatory therapy for AD, but long‐term use has significant side effects. Microecological agents (MA), including probiotics, prebiotics and synbiotics, have been widely reported as a potential adjunctive therapy of AD, but whether MA can contribute to AD treatment is currently controversial. Therefore, we conducted a systematic review and meta‐analysis to investigate whether MA as an add‐on therapy for AD has synergistic and attenuated effects and to further understand the role of MA in clinical interventions for AD.MethodsWe systematically searched Medline, Embase, Web of Science, Cochrane Library and PsycINFO databases up to Apr 11, 2023, and bibliographies were also manually searched, for potentially relevant studies regarding MA as additional therapy of AD. The Cochrane Risk of Bias Tool for assessing risk of bias was used to assess the quality of randomized controlled trials (RCTs). Two reviewers screened studies, extracted data, and evaluated the risk of bias independently. The primary outcomes (SCORAD scores and the number of adverse events) and the secondary outcomes (pruritus scores, the quality of life and the frequency of TCS) were extracted from each article. The data were combined and analyzed to quantify the safety and efficacy of the treatment. R (V4.4.3) software was used for data synthesis. The certainty of the evidence was evaluated with the Grade of Recommendation, Assessment, Development and Evaluation (GRADE) system. We also performed a trial sequential analysis to assess the reliability of the evidence.ResultsA total of 21 studies, including 1230 individuals, were identified, 20 of which met the eligibility criteria for the meta‐analysis. Our pooled meta‐analyses showed that compared with controls, oral MA as an add‐on therapy was associated with significantly lower SCORAD scores (MD = −5.30, 95% CI −8.50, −1.55, p < 0.01, I2 = 81%). However, adverse events, pruritus scores, quality of life, and frequency of TCS use showed no significant difference in this meta‐analysis study (p > 0.05).ConclusionsThis meta‐analysis showed that MA plus TCS could be an effective and safe treatment for patients with AD to relieve relevant symptoms, which might be used as an add‐on therapy in the treatment of AD. However, due to the limited number of studies, results should be interpreted with caution. Further studies with a larger sample size are needed to explore the optimal protocol of MA plus TCS.
Risk of chronic health conditions in lesbian, gay, and bisexual survivors of adolescent and young adult cancers
Authors: Berkman Amy M. , Choi Eunju , Cheung Christabel K. , Salsman John M. , Peterson Susan K. , Andersen Clark R. , Lu Qian , Livingston J. Andrew , Hildebrandt Michelle A. T. , Parsons Susan K. , Roth Michael E. 
Published: December 2023

AbstractBackgroundIn the general population, individuals with minoritized sexual orientation and gender identity have a higher burden of chronic health conditions than heterosexual individuals. However, the extent to which sexual orientation is associated with excess burden of chronic conditions in adolescent and young adult cancer survivors (AYACS) is unknown.MethodsLesbian, gay, and bisexual (LGB) AYACSs, LGB individuals without a history of cancer, and heterosexual AYACSs were identified by self‐reported data from the cross‐sectional National Health Interview Survey (2013–2020). Socioeconomic factors and the prevalence of chronic health conditions were compared between groups using χ2 tests. Logistic regression methods were used to determine the odds of chronic conditions by socioeconomic factors within and between survivor and comparison groups.ResultsOne hundred seventy LGB cancer survivors, 1700 LGB individuals without a history of cancer, and 1700 heterosexual cancer survivors were included. Compared with heterosexual survivors, LGB survivors were less likely to be married (p = .001) and more likely to have never been married (p < .001). LGB survivors were more likely to have incomes between 100% and 200% of the federal poverty level than LGB individuals without a history of cancer (p = .012) and heterosexual survivors (p = .021) and were less likely to report incomes >200% the federal poverty level. LGB survivors had higher odds of chronic health conditions than LGB individuals without a history of cancer (odds ratio, 2.45; p < .001) and heterosexual survivors (odds ratio, 2.16; p = .003).ConclusionsLGB AYACSs are at increased risk of having chronic health conditions compared with both LGB individuals without a history of cancer and heterosexual AYACSs.
A possible underground roadway for transportation facilities in Kathmandu Valley: A racking deformation of underground rectangular structures
Authors: Sahani Kameshwar , Khadka Shyam Sundar , Sahani Suresh Kumar , Pandey Binay Kumar , Pandey Digvijay 
Published: December 2023

AbstractThe increasing number of private cars, public transportation vehicles, and pedestrians, as well as the absence of adequate space for these ground amenities, are one of the primary causes of traffic congestion and accidents in the Kathmandu Valley. Investigations have indicated that the Kathmandu Valley has the greatest traffic accidents despite the heavy presence of the government and its agencies there. Most teens and young adults suffer injuries while using motor vehicles. The study's primary objective is to foresee and prevent such complications by planning for sufficient subsurface infrastructure (a cut‐and‐cover rectangular tunnel) for the Kathmandu Valley's transportation network. The overlying pressure, lateral earth pressure, live load, uplift pressure, and live surcharge are some of the forces acting on the tunnel, creating unique stress and moment zones. The tunnel meets the following geometric requirements: (a) Each of the tunnel's two cells has a clear span of 10 m and a clear height of 5.5 m. The side walls, inner walls, top slab, and bottom slab are all 700 mm thick. Soil has built up to a height of 4 m over the tunnel's roof. The analytical method is used in the tunnel segment's analysis. Furthermore, the designed tunnel has been evaluated for stability, considering the deflection and shear resistance. The analysis indicates that the tunnel meets the stability requirements. This implies that the structure is capable of withstanding the applied forces without excessive deflection. Non‐linear dynamic time history analyses of the El Centro earthquake and the Gorkha earthquake were computed. From the El Centro earthquake, the maximum displacement was 23.63 mm at 10.59 s, and from the Gorkha earthquake, the maximum displacement was 16 mm at 0.19 s for the modeled structures.
Signal propagation from portable active seismic source (PASS) to km‐scale borehole DAS for continuous monitoring of CO2 storage site
Authors: Tsuji Takeshi , Arakawa Eiichi , Tsukahara Hitoshi , Murakami Fumitoshi , Aoki Naoshi , Abe Susumu , Miura Takuya 
Published: December 2023

AbstractWe have developed a portable active seismic source (PASS) to monitor CO2 storage reservoirs at a depth of approximately 1 km. Despite its small size, stacking the signals generated by the PASS improves the signal‐to‐noise ratio of the seismometer data far from the source. The smaller size and lower cost of the PASS enables its permanent deployment in many locations to continuously monitor CO2 storage reservoirs. To achieve continuous monitoring, distributed acoustic sensing (DAS) is also a vital technology. Based on DAS, we can continuously record the signal from the PASS in an extensive area, including within boreholes and offshore fields. Here we report application of the PASS for the borehole DAS system. We confirmed the PASS signal propagation to a depth of ∼1 km when we used a PASS with 630N at 50 Hz close to the wellhead and recorded the signal by the borehole fiber optic cable. The ability of the system to propagate the PASS signal to a depth of ∼1 km enables continuous monitoring of most CO2 storage reservoirs with high temporal resolution. Furthermore, deploying multiple PASS systems could improve the spatial resolution of monitoring results. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.
Bicontinuous donor and acceptor fibril networks enable 19.2% efficiency pseudo‐bulk heterojunction organic solar cells
Authors: Zhou Jing , Li Donghui , Wang Liang , Zhang Xinying , Deng Nan , Guo Chuanhang , Chen Chen , Gan Zirui , Liu Chenhao , Sun Wei , Liu Dan , Li Wei , Li Zhe , Wang Kai , Wang Tao 
Published: December 2023

AbstractRealizing bicontinuous fibrillar charge transport networks in the photoactive layer has been considered a promising method to achieve high‐efficiency organic solar cells (OSCs); however, this has been rarely achieved due to the interference of molecular organization of donor and acceptor components during solution casting. In this contribution, the fibrillization of polymer donor PM6 and small molecular nonfullerene acceptor L8‐BO is realized with the assistance of conjugated polymer D18‐Cl. Atomic force microscopy and photo‐induced force microscopy reveal that PM6 and D18‐Cl co‐assemble into long and slender fibrils within wide blending ratios due to their high compatibility; in contrast, the fibrillization of L8‐BO can be encouraged with the incorporation of 1% D18‐Cl. By utilizing a pseudo‐bulk heterojunction (p‐BHJ) active layer fabricated by layer‐by‐layer deposition, the optimized PM6+20% D18‐Cl/L8‐BO+1% D18‐Cl OSCs obtain bicontinuous fibril networks, leading to enhanced exciton dissociation and charge transport processes and superior power conversion efficiency of 19.2% (certified 18.91%) compared to 18.8% of the PM6:D18‐Cl:L8‐BO ternary BHJ OSCs.
Mechanistic study on ursolic acid inhibiting the growth of colorectal cancer cells through the downregulation of TGF‐β3 by miR‐140‐5p
Authors: Zhang Tao , Xiang Fenfen , Li Xiaoxiao , Chen Zixi , Wang Jun , Guo Jiahui , Zhu Shanshan , Zhou Jun , Kang Xiangdong , Wu Rong 
Published: December 2023

AbstractColorectal cancer (CRC) is a common digestive tract tumor with a high incidence and a poor prognosis. Traditional chemotherapy drugs are usually accompanied by unpleasant side effects, highlighting the importance of exploring new adjunctive drugs. In this study, we aimed to explore the role of ursolic acid (UA) in CRC cells. Specifically, HT‐29 cells were treated with UA at different concentrations (10, 20, 30, and 40 μM), and the expression of miR‐140‐5p, tumor growth factor‐β3 (TGF‐β3), β‐catenin, and cyclin D1 was determined by real‐time quantitative PCR. The cell cycle and apoptosis were checked by flow cytometry, and cell proliferation was detected by Cell Counting Kit‐8 assay. The HT‐29 cell model was established through overexpression (miR‐140‐5p mimics) and interference (miR‐140‐5p inhibitor) of miR‐140‐5p. Western blot was used to detect the protein expression of TGF‐β3. We found that UA could inhibit the proliferation of HT‐29 cells, block cells in the G1 phase, and promote cell apoptosis. After UA treatment, the expression of miR‐140‐5p increased and TGF‐β3 decreased. Notably, miR‐140‐5p downregulated the expression of TGF‐β3, while the overexpression of miR‐140‐5p exerted a similar function to UA in HT‐29 cells. Additionally, the messenger RNA expression of TGF‐β3, β‐catenin, and cyclin D1 was decreased in HT‐29 cells after UA treatment. In conclusion, UA inhibited CRC cell proliferation and cell cycle and promoted apoptosis by regulating the miR‐140‐5p/TGF‐β3 axis, which may be related to the inhibition of Wnt/β‐catenin signaling pathway.
Remission of hypersensitivity by simple weight load stimuli in a complex regional pain syndrome mouse model
Authors: Kiyomoto Kenta , Emori Makoto , Hanaka Megumi , Teramoto Atsushi , Hayakawa Hikaru , Takashima Kenichi , Yamashita Toshihiko , Iba Kousuke 
Published: December 2023

AbstractPainful sensitivity of the hand or foot are the most common and debilitating symptoms of complex regional pain syndrome (CRPS). Physical therapy is standard treatment for CRPS, but evidence supporting its efficacy is minimal and it can be essentially impossible for CRPS patients to actively exercise the painful limb. Using the well‐characterized distal tibial fracture CRPS mouse model, we compared the therapeutic effects of several weeks of daily hindlimb loading versus rotarod walking exercise. The effects of loading and exercise were evaluated by weekly testing of hind‐paw withdrawal thresholds to von Frey fibers and radiant heat, as well as measurements of paw and ankle edema. At 6 weeks after fracture, the mice were killed and the ipsilateral femur, spinal cord and L4/5 dorsal root ganglia, and hind‐paw skin collected for PCR assays and paw skin Immunohistochemistry evaluation. Hindlimb loading reduced hind‐paw von Frey allodynia and heat hyperalgesia and edema within a week and these effects persisted for at least a week after discontinuing treatment. These therapeutic effects of loading exceeded the beneficial effects observed with rotarod walking exercise in fracture mice. Levels of nerve growth factor and transient receptor potential vanilloid 1 (TRPV1) immunostaining in the hind‐paw skin were increased at 6 weeks after fracture, and both loading and exercise treatment reduced increases. Collectively, these results suggest that loading may be an effective and possibly curative treatment in CRPS patients with sensitivity in the affected limb.