bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reinforcement of Positive Electrode‐Electrolyte Interface without Using Electrolyte Additives Through Thermoelectrochemical Oxidation of LiPF6 for Lithium Secondary Batteries
Authors: Leem Han Jun , Kim Wontak , Park Sung Su , Yu Jisang , Kim Young‐Jun , Kim Hyun‐seung 
Published: October 2023

AbstractOwing to the limited electrochemical stability window of carbonate electrolytes, the initial formation of a solid electrolyte interphase and surface film on the negative and positive electrode surfaces by the decomposition of the electrolyte component is inevitable for the operation of lithium secondary batteries. The deposited film on the surface of the active material is vital for reducing further electrochemical side reactions at the surface; hence, the manipulation of this formation process is necessary for the appropriate operation of the assembled battery system. In this study, the thermal decomposition of LiPF6 salt is used as a surface passivation agent, which is autocatalytically formed during high‐temperature storage. The thermally formed difluorophosphoric acid is subsequently oxidized on the partially charged high‐Ni positive electrode surface, which improves the cycleability of lithium metal cells via phosphorus‐ and fluorine‐based surface film formation. Moreover, the improvement in the high‐temperature cycleability is demonstrated by controlling the formation process in the lithium‐ion pouch cell with a short period of high‐temperature storage before battery usage.
Precise Anchoring of Fe Sites by Regulating Crystallinity of Novel Binuclear Ni‐MOF for Revealing Mechanism of Electrocatalytic Oxygen Evolution
Authors: Liu Xinqiang , Su Shibiao , Yin Haoran , Zhang Shifan , Isimjan Tayirjan Taylor , Huang Jin , Yang Xiulin , Cai Dandan 
Published: October 2023

AbstractBimetallic metal‐organic framework (BMOF) exhibits better electrocatalytic performance than mono‐MOF, but deciphering the precise anchoring of foreign atoms and revealing the underlying mechanisms at the atomic level remains a major challenge. Herein, a novel binuclear NiFe‐MOF with precise anchoring of Fe sites is synthesized. The low‐crystallinity (LC)‐NiFe0.33‐MOF exhibited abundant unsaturated active sites and demonstrated excellent electrocatalytic oxygen evolution reaction (OER) performance. It achieved an ultralow overpotential of 230 mV at 10 mA cm−2 and a Tafel slope of 41 mV dec−1. Using a combination of modulating crystallinity, X‐ray absorption spectroscopy, and theoretical calculations, the accurate metal sequence of BMOF and the synergistic effect of the active sites are identified, revealing that the adjacent active site plays a significant role in regulating the catalytic performance of the endmost active site. The proposed model of BMOF electrocatalysts facilitates the investigation of efficient OER electrocatalysts and the related catalytic mechanisms.
Aza‐Heterocyclic Building Blocks with In‐Ring CF2‐Fragment
Authors: Ryabukhin S. V. , Bondarenko D. V. , Trofymchuk S. A. , Lega D. A. , Volochnyuk D. M. 
Published: October 2023

AbstractModern organic chemistry is a titan supporting and reinforcing pharmaceutical, agricultural, food and material science products. Over the past decades, the organic compounds market has been evolving to meet all the research demands. In this regard, medicinal chemistry is especially dependent on available chemical space as subtle tuning of the molecule structure is required to create a drug with relevant physicochemical properties and a remarkable activity profile. The recent rapid evolution of synthetic methodology to deploy fluorine has brought fluorinated compounds to the spotlight of MedChem community. And now unique properties of fluorine still keep fascinating more and more as its justified installation into a molecular framework has a beneficial impact on membrane permeability, lipophilicity, metabolic stability, pharmacokinetic properties, conformation, pKa, etc. The backward influence of medicinal chemistry on organic synthesis has also changed the landscape of the latter towards new fluorinated topologies as well. Such complex relationships create a flexible and ever‐changing ecosystem. Given that MedChem investigations strongly lean on the ability to reach suitable building blocks and the existence of reliable synthetic methods in this review we collected advances in the chemistry of respectful, but still enigmatic gem‐difluorinated aza‐heterocyclic building blocks.
In vitro effects of omeprazole in combination with antifungal compounds againstMalassezia pachydermatis
Authors: Shin Juyoung , Bae Seulgi 
Published: October 2023

AbstractBackgroundFungal and yeast infections, including those caused byMalasseziaspp., are becoming increasingly difficult to treat, likely due to the occurrence of drug resistance.ObjectivesThis study aimed to evaluate the antifungal effects of omeprazole (OME), a proton pump inhibitor, against antifungal‐resistantMalassezia pachydermatisand to investigate the potential synergistic effects between OME and other antifungal compounds.MethodsIn total, 15 samples ofM. pachydermatisisolated from the skin of dogs were tested. The susceptibility ofM. pachydermatisto itraconazole, ketoconazole, miconazole, terbinafine and OME was assessed using a modified broth microdilution (BM) method. The in vitro efficacy of OME alone and in combination with other antifungal compounds was evaluated for all isolates using the BM chequerboard method. The data obtained were analysed using the fractional inhibitory concentration index (FICI).ResultsThe minimum inhibitory concentration (MIC) values of antifungal compounds and OME against quality control strain (M. pachydermatisCBS1879) were lower than the MIC90values of same drugs against clinically collected strains. There was no significant difference in MIC values between drugs alone and combination. According to the analysis by the FICI method, no interaction was observed with OME and antifungal compounds.ConclusionsMostM. pachydermatisstrains were resistant to azole antifungal compounds. OME exerted antifungal effects againstMalasseziaspp. and even showed good effects on antifungal‐resistant strains. No synergistic effects were observed between the antifungal compounds and OME.
Influence of iron, phosphate, and silicate on arsenic removal from groundwater using a low‐cost ceramic filter
Authors: Shafiquzzaman Md. , Haider Husnain , Azam Mohammad Shafiul , Ahsan Amimul , Alresheedi Mohammad , AlSaleem Saleem S. , Ghumman Abdul Razzaq , Ahmed Abdelkader T. 
Published: October 2023

AbstractThe ceramic filter amended with iron (Fe) has proven to be a potential low‐cost method for arsenic (As) removal from groundwater. The presence of Fe, phosphate (P), and silicate (Si) significantly affects the As removal efficiency of the ceramic filter, which has not been passably investigated. The present research aimed to examine the effect of Fe, P, and (or) Si presence as single or in combination on As (III) removal from synthetics groundwater by a low‐cost iron amended ceramic filter (IACF). Laboratory‐scale filtration experiments at different compositions of Fe, P, Si, and As (III) were conducted by the IACF fabricated with a ceramic candle and iron netting box. Fe (II) in synthetic groundwater positively impacted As (III) removal. At a concentration of 2 mg/L of Fe (II), the As levels in the effluent decreased to less than the maximum contamination level (MCL) of 50 μg/L. Groundwater P concentration needed less than 3 mg/L or Si concentrations required less than 35 mg/L to effectively reduce As (III) to below the MCL at 5 mg/L of groundwater Fe (II). The cumulative effect of P and Si on As removal was found to be more significant than distinct contributions. The presence of 2 mg/L P and 35 mg/L or higher Si in the groundwater cumulatively reduced the As removal performance from 92% to 63%, and the MCL was not met. The negative impact of P and Si on As (III) removal followed the order of (P + Si) > P > Si. P competed with As for adsorption sites during the process, while Si inhibited the Fe release and floc formation, significantly reducing As removal performance. The study findings can potentially contribute to optimizing IACF as a low‐cost method for As removal from groundwater.
Psychedelic use and psychiatric risks
Authors: Simonsson Otto , Goldberg Simon B. , Chambers Richard , Osika Walter , Simonsson Charlotta , Hendricks Peter S. 
Published: October 2023

Abstract
Rationale
Research on psychedelics has recently shown promising results in the treatment of various psychiatric disorders, but relatively little remains known about the psychiatric risks associated with naturalistic use of psychedelics.

Objective
The objective of the current study was to investigate associations between naturalistic psychedelic use and psychiatric risks.

Methods
Using a sample representative of the US adult population with regard to sex, age, and ethnicity (N=2822), this study investigated associations between lifetime naturalistic psychedelic use, lifetime unusual visual experiences, and past 2-week psychotic symptoms.

Results
Among respondents who reported lifetime psychedelic use (n=613), 1.3% reported having been told by a doctor or other medical professional that they had hallucinogen persisting perception disorder. In covariate-adjusted linear regression models, lifetime psychedelic use was associated with more unusual visual experiences at any point across the lifetime, but no association was observed between lifetime psychedelic use and past 2-week psychotic symptoms. There was an interaction between lifetime psychedelic use and family (but not personal) history of psychotic or bipolar disorders on past 2-week psychotic symptoms such that psychotic symptoms were highest among respondents who reported lifetime psychedelic use and a family history of psychotic or bipolar disorders and lowest among those who reported lifetime psychedelic use and no family history of psychotic or bipolar disorders.

Conclusions
Although the results in this study should be interpreted with caution, the findings suggest that lifetime naturalistic use of psychedelics might be associated with more unusual visual experiences across the lifetime, as well as more psychotic symptoms in the past 2 weeks for individuals with a family history of psychotic or bipolar disorders and the reverse for those without such a family history. Future research should distinguish between different psychotic and bipolar disorders and should also utilize other research designs (e.g., longitudinal) and variables (e.g., polygenic risk scores) to better understand potential cause-and-effect relationships.
Cholesteatoma Severely Impacts the Integrity and Bone Material Quality of the Incus
Authors: Delsmann Maximilian M. , Bonik Paul , Ocokoljic Ana , Häussler Sophia M. , Püschel Klaus , Praetorius Mark , Amling Michael , Peichl Jonathan , Rolvien Tim 
Published: October 2023

AbstractCholesteatoma can lead to progressive destruction of the auditory ossicles along with conductive hearing loss but precise data on the microstructural, cellular, and compositional aspects of affected ossicles are not available. Here, we obtained incus specimens from patients who had cholesteatoma with conductive hearing loss. Incudes were evaluated by micro-computed tomography, histomorphometry on undecalcified sections, quantitative backscattered electron imaging, and nanoindentation. Results were compared with two control groups taken from patients with chronic otitis media as well as from skeletally intact donors at autopsy. The porosity of incus specimens was higher in cholesteatoma than in chronic otitis media, along with a higher osteoclast surface per bone surface. Histomorphometric assessment revealed higher osteoid levels and osteocyte numbers in cholesteatoma incudes. Incudes affected by cholesteatoma also showed lower matrix mineralization compared with specimens from healthy controls and chronic otitis media. Furthermore, the modulus-to-hardness ratio was higher in cholesteatoma specimens compared with controls. Taken together, we demonstrated increased porosity along with increased osteoclast indices, impaired matrix mineralization, and altered biomechanical properties as distinct features of the incus in cholesteatoma. Based on our findings, a possible impact of impaired bone quality on conductive hearing loss should be further explored.
Quantum Algorithm for Lexicographically Minimal String Rotation
Authors: Wang Qisheng , Ying Mingsheng 
Published: October 2023

AbstractLexicographically minimal string rotation (LMSR) is a problem to find the minimal one among all rotations of a string in the lexicographical order, which is widely used in equality checking of graphs, polygons, automata and chemical structures. In this paper, we propose an$$O(n^{3/4})$$O(n3/4)quantum query algorithm for LMSR. In particular, the algorithm has average-case query complexity$$O(\sqrt{n} \log n)$$O(nlogn), which is shown to be asymptotically optimal up to a polylogarithmic factor, compared to its$$\Omega \left( \sqrt{n/\log n}\right) $$Ωn/lognlower bound. Furthermore, we show that our quantum algorithm outperforms any (classical) randomized algorithms in both worst and average cases. As an application, it is used in benzenoid identification and disjoint-cycle automata minimization.
Microbiota and Nutrient Portraits of European Roe Deer (Capreolus capreolus) Rumen Contents in Characteristic Southern German Habitats
Authors: Dahl Sarah-Alica , Seifert Jana , Camarinha-Silva Amélia , Cheng Yu-Chieh , Hernández-Arriaga Angélica , Hudler Martina , Windisch Wilhelm , König Andreas 
Published: October 2023

Abstract Roe deer (Capreolus capreolus) are found in various habitats, from pure forest cultures to agricultural areas and mountains. In adapting to the geographically and seasonally differentiating food supply, they depend, above all, on an adapted microbiome. However, knowledge about the microbiome of wild ruminants still needs to be improved. There are only a few publications for individual species with a low number of samples. This study aims to identify a core microbiota for Bavarian roe deer and present nutrient and microbiota portraits of the individual habitat types. This study investigated the roe deer’s rumen (reticulorumen) content from seven different characteristic Bavarian habitat types. The focus was on the composition of nutrients, fermentation products, and the rumen bacterial community. A total of 311 roe deer samples were analysed, with the most even possible distribution per habitat, season, age class, and gender. Significant differences in nutrient concentrations and microbial composition were identified for the factors habitat, season, and age class. The highest crude protein content (plant protein and microbial) in the rumen was determined in the purely agricultural habitat (AG), the highest value of non-fibre carbohydrates in the alpine mountain forest, and the highest fibre content (neutral detergent fibre, NDF) in the pine forest habitat. Maximum values for fibre content go up to 70% NDF. The proportion of metabolites (ammonia, lactate, total volatile fatty acids) was highest in the Agriculture-Beech-Forest habitat (ABF). Correlations can be identified between adaptations in the microbiota and specific nutrient concentrations, as well as in strong fluctuations in ingested forage. In addition, a core bacterial community comprising five genera could be identified across all habitats, up to 44% of total relative abundance. As with all wild ruminants, many microbial genera remain largely unclassified at various taxonomic levels. This study provides a more in-depth insight into the diversity and complexity of the roe deer rumen microbiota. It highlights the key microorganisms responsible for converting naturally available nutrients of different botanical origins.
In Vitro Assessment of Eight Selected Indigenous Fungal Isolates Tolerance to Various Abiotic Stresses and their Effects on Seed Germination
Authors: Ramatsitsi Mukondeleli N. , Khosa Mbokota C. , Mashamaite Chuene V. , Ramachela Khosi 
Published: October 2023

AbstractFungal bio-control agents (BCA) can minimize use of agro-chemicals while increasing plant productivity and tolerance to biotic-abiotic stressors. Ideally, BCA should tolerate varying environmental conditions they are introduced into, to successfully dominate and protect plants from stressors. However, BCA are living micro-organisms, their survival and efficacy can be impeded by extreme conditions. The current study aimed at evaluating whether indigenous fungal isolates, viz, Aspergillus flavus, A. terreus, Penicillium sp. AL-38 IRH-2012b, Talaromyces minioluteus, T. purpureogenus, T. sayulitensis, Trichoderma ghanense and T. viride can tolerate different levels of salinity, pH, nutrient and temperature. Certain fungal species are pests with potential of destroying many crops; the pathogenic effects of the aforementioned fungal isolates were further assessed on different crops’ seeds. The results showed that, although being indigenous, Aspergillus, T. sayulitensis and T. ghanense failed to thrive in high salinity and pH. While Penicillium sp. AL-38 IRH-2012b failed to thrive under reduced nutrient level and all fungal isolates failed to grow at 10–20 °C. Furthermore, it was noted species within the same genus could affect crops in both favorable and unfavorable ways. The study demonstrated that the selected indigenous fungal isolates can tolerate different abiotic conditions and have potential to improve seed germination and seedling growth.
Testing for deficient mismatch repair and microsatellite instability
Authors: Rüschoff Josef , Schildhaus Hans-Ulrich , Rüschoff Jan Hendrik , Jöhrens Korinna , Bocker Edmonston Tina , Dietmaier Wolfgang , Bläker Hendrik , Baretton Gustavo , Horst David , Dietel Manfred , Hartmann Arndt , Klauschen Frederick , Merkelbach-Bruse Sabine , Stenzinger Albrecht , Schöniger Sandra , Tiemann Markus , Weichert Wilko , Büttner Reinhard 
Published: October 2023

AbstractTesting to detect mismatch repair deficiency (dMMR) and high-grade microsatellite instability (MSI-H) has become an integral part of the routine diagnostic workup for colorectal cancer (CRC). While MSI was initially considered to be a possible indicator of a hereditary disposition to cancer (Lynch syndrome, LS), today the prediction of the therapy response to immune checkpoint inhibitors (ICI) is in the foreground. Corresponding recommendations and testing algorithms are available for use in primary diagnosis (reviewed in: Rüschoff et al. 2021).Given the increasing importance for routine use and the expanding indication spectrum of ICI therapies for non-CRCs, such as endometrial, small intestinal, gastric, and biliary tract cancers, an updated review of dMMR/MSI testing is presented. The focus is on the challenges in the assessment of immunohistochemical stains and the value of PCR-based procedures, considering the expanded ICI indication spectrum. A practice-oriented flowchart for everyday diagnostic decision-making is provided that considers new data on the frequency and type of discordances between MMR-IHC and MSI-PCR findings, and the possible role of Next Generation Sequencing in clarifying them. Reference is made to the significance of systematic quality assurance measures (e.g., QuIP MSI portal and multicenter proficiency testing), including regular continued training and education.
Influence of swirl and ingress on windage losses in a low-pressure turbine stator-well cavity
Authors: Jackson Richard , Christodoulou Loizos , Li Zhihui , Sangan Carl M. , Ambrose Stephen , Jefferson-Loveday Richard , Lock Gary D. , Scobie James A. 
Published: October 2023

AbstractAs part of the drive towards achieving net-zero flight by 2050, the development of ultra-high bypass ratio engines will place greater importance on the efficiency of the low-pressure turbine. Stator-well cavities can be a significant source of loss within this system, primarily due to the ingestion of annulus air, which can rotate at a speed less than that of the disc. This paper presents the results of a joint experimental/numerical campaign to relate windage torque to the flow physics in a scaled, engine-realistic stator-well geometry with superposed flows. The primary variables were the pressure ratio across the stator row and the swirl ratio at inlet to the cavity. This is the first paper to relate simultaneous torque and swirl measurements in a stator-well cavity. The numerical simulations have also provided insight into the fluid dynamic behaviour. A reduction in cavity windage torque with superposed flow rate was shown, consistent with the increase in swirl measured by experiments and predicted by computations. The pre-swirled superposed flows reduce the ingestion of negatively swirling fluid from the annulus, effectively increasing the swirl ratio of the flow in the cavity towards that of the rotor. This reduces windage losses; at the design condition with superposed flow, the cavity windage torque reduced by 60% of that of the reference case. Sealing effectiveness increased with superposed flow rate. This was demonstrated through gas concentration measurement/simulations, a reduced radial flow velocity into the cavity and a reduced mass flow rate across the interstage seal. The application of a turbulent transport model showed that ingestion could be explained by shear-driven diffusion. Ingestion increased as inlet swirl ratio reduced, while the pressure ratio was found to have a negligible influence on windage moment coefficient, swirl ratio and sealing effectiveness. In addition to providing fluid dynamic insight, the gas concentration results can be used for validating thermomechanical models. The results in this paper will be of practical interest to the engine designer who wishes to scale information to engine-operating conditions.