bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, in vitro α‐Glucosidase Inhibition, DFT Calculations, and Molecular Docking Studies of Some New Substituted 2,5‐Bis(pyrazolyl)‐1,3,4‐oxadiazoles
Authors: Chaudhry Faryal , Abdullah Shawana , un‐Nisa Mehr , Hayat Anum , Ahmad Hafiz Adnan , Aslam Samina , Ashraf Muhammad , Munawar Munawar Ali 
Published: February 2024

AbstractA pivotal feature of present research study is the synthesis of some new 2,5‐bis(pyrazolyl)‐1,3,4‐oxadiazoles as promising α‐glucosidase inhibitors. In this regard, a facile reaction scheme was designed to afford 1,3,4‐oxadiazole ring. In search of the most favourable reaction condition, a model reaction was first carried out between 1,3‐diphenyl‐1H‐pyrazole‐4‐carbohydrazide (3) and 1,3‐diphenyl‐1H‐pyrazole‐4‐carboxylic acid (4 a) using phosphorous oxychloride (POCl3). The results emanated from this model reaction were utilized to prepare other derivatives to highlight the scope of current synthetic approach and the structures of the prepared molecules were characterized from spectroscopic techniques. These derivatives were further investigated for their α‐glucosidase inhibitory potentials. 2,5‐Bis(1,3‐diphenyl‐1H‐pyrazol‐4‐yl)‐1,3,4‐oxadiazole (5 a) and 2‐(3‐(4‐bromophenyl)‐1‐phenyl‐1H‐pyrazol‐4‐yl)‐5‐(1,3‐diphenyl‐1H‐pyrazol‐4‐yl)‐1,3,4‐oxadiazole (5 c) displayed strong in vitro inhibitory activities with IC50 73.1±1.13 μM and IC50 87.3±1.12 μM respectively with least toxicity profiles. Molecular docking and computational studies including geometry optimization of synthesized molecular systems, calculations of their orbital energies, and molecular electrostatic potential (MEP) surface maps further helped to establish structural and electronic properties contributing towards their bioactivity. The electrophilicity index significantly quantifies the biological activity. The experimental and computational data altogether facilitated in understanding the therapeutic attributes of these versatile scaffolds in relation to their α‐glucosidase inhibition.
Advances in Polybenzocoumarins: Synthesis, Applications and Fluorescent Properties
Authors: Ullah Arif , Bukhari Kareem Shah , Farooq Faiza , Guo Fu‐Hu , Asif Muhammad , Ullah Afaq , Ullah Isfaq 
Published: February 2024

AbstractPolybenzocoumarins, characterized by unique structural features, have emerged as a promising class of compounds with diverse applications. In the realm of fluorescence, these molecules exhibit notable properties attributed to their extended π‐conjugation, aromaticity, and potential for intramolecular charge transfer. Diverse synthetic methodologies, including green chemistry approaches and transition‐metal‐catalyzed reactions, are discussed. The review explores the impact of structural modifications on fluorescence behavior, providing insights for designing fluorescent probes. The versatility of polybenzocoumarins makes them promising in bioimaging, sensors, and optoelectronics. This concise overview serves as a valuable resource for researchers interested in the dynamic field of polybenzocoumarin chemistry.
Efficient Inverted Perovskite Photovoltaics Through Surface State Manipulation
Authors: Wang Xingtao , Zhang Chi , Liu Tiantian , Qin Shucheng , Lin Zizhen , Shi Congbo , Zhao Dongming , Zhao Zhiguo , Qin Xiaojun , Li Menglei , Wang Yong 
Published: February 2024

AbstractInverted perovskite solar cells (PSCs) are considered as the most promising avenue for the commercialization of PSCs due to their potential inherent stability. However, suboptimal interface contacts between electron transport layer (ETL) (such as C60) and the perovskite absorbing layer within inverted PSCs always result in reduced efficiency and poor stability. Herein, a surface state manipulation strategy has been developed by employing a highly electronegative 4‐fluorophenethylamine hydrochloride (p‐F‐PEACl) to effectively address the issue of poor interface contacts in the inverted PSCs. The p‐F‐PEACl demonstrates a robust interaction with perovskite film through bonding of amino group and Cl− with I− and Pb2+ ions in the perovskite, respectively. As such, the surface defects of perovskite film can be significantly reduced, leading to suppressed non‐radiative recombination. Moreover, p‐F‐PEACl also plays a dual role in enhancing the surface potential and improving energy‐level alignment at the interfaces between the perovskite and C60 carrier transport layer, which directly contributes to efficient charge extraction. Finally, the open‐circuit voltage (Voc) of devices increases from 1.104 V to 1.157 V, leading to an overall efficiency improvement from 22.34% to 24.78%. Furthermore, the p‐F‐PEACl‐treated PSCs also display excellent stability.
Unearthing the identity, taxonomy and nomenclature of the enigmatic Marchantiopsis stoloniscyphula (Marchantiophyta, Marchantiaceae) from China
Authors: Zheng Tian‐Xiong , Hu Yong , Li Wei , Li Xue‐Dong 
Published: February 2024

AbstractOwing to a combination of reportedly unique morphological characters and an unlocatable type specimen, Marchantiopsis stoloniscyphula has been regarded as an enigmatic species in Marchantiaceae since its description, and all subsequent taxonomic treatments of this species were made without examination of the type. We located the original material of M. stoloniscyphula which was included as an admixture within the holotype of Wiesnerella fasciaria deposited in IFP. Our morphological examination found that M. stoloniscyphula and W. fasciaria are conspecific with Marchantia papillata subsp. grossibarba and Sandea japonica, respectively. The nomenclature of Marchantiopsis and M. stoloniscyphula are discussed. Lectotypes for M. stoloniscyphula and W. fasciaria are also designated.
Experimental support for a sustainable treatment strategy of acrylic fiber dyeing wastewater
Authors: Kabdaşlı Işık , Orhon Derin 
Published: February 2024

AbstractThe study intended to devise a sustainable treatment scheme for acrylic fiber dyeing process effluents, which significantly differ from other textile plant wastewaters. The necessary experimental support was generated from a set of tests conducted on the wastewater of a plant operation, focused solely on acrylic fiber dyeing. Related experiments involved effluent characterization, biological treatability, and chemical settling/oxidation performed on raw and bio‐treated effluent, as pre‐treatment and/or polishing steps. A total COD level of 910 mg/L with a 70% soluble ratio, low total N and P contents below 10 mg/L, a detergent content of 50 mg/L and a dark/black color of 1150 Pt‐Co unit defined the average properties of the raw plant effluent. Experimental support indicated that activated sludge operation at a sludge age level above 25 d, remained insufficient as it could only provide an effluent with a soluble COD level above 150 mg/L, a biomass escape in the range of 40 to 100 mg/L and with an intense dark color. A similar experimental template, including chemical settling, chemical oxidation by NaOCl and combination of the two processes, was tested as pre‐treatment and a polishing step after biological treatment. Pre‐treatment, although with some benefit to remove toxic and inhibitory compounds, proved to be highly costly, due to excessive chemical usage and sludge generation for a sustainable, cost‐effective approach. The sequence of chemical oxidation and settling steps implemented as a polishing stage was quite effective as it secured complete color removal, a major source of concern for the selected wastewater and also, it reduced COD down to 60 mg/L, a level significantly below the residual COD threshold for biological treatment. This approach, although case‐specific for this study, provided a scientific and general perspective for similar work.
Vadose zone perspectives in global arsenic research: A review and future opportunities
Authors: van Genuchten C. M. , Wang K. , Jakobsen R. 
Published: February 2024

AbstractFew contaminants have been linked to more devastating human health and environmental impacts than carcinogenic arsenic (As). Geogenic As contamination of groundwater used as a drinking water source continues to threaten hundreds of millions of lives worldwide, with the As crisis in South and Southeast Asia often called “the largest mass poisoning in history.” In addition, anthropogenic As pollution derived from industrial activities (e.g., mining and smelting processes, wood preservation, and historic pesticide use) has created large sites of intensely contaminated soils and water bodies that urgently require remediation. Because of its profound negative impacts on environmental quality, As has also been the focus of considerable scientific research. In particular, vadose zone research, which aims to understand fluid flow and contaminant transport in variably saturated porous media, has been critical to identify sources of As contamination, predict the fate of As in natural and engineered systems, and help guide regulatory agencies, policymakers, and practitioners to minimize As impacts. In this work, we review several key topics in global As research that have been advanced by vadose zone knowledge. These topics include the release of geogenic As to groundwater, the remediation of anthropogenic As contamination, and the design and operation of As treatment systems. We end this review by highlighting urgent and important knowledge gaps in As research that can benefit from a more rigorous understanding of vadose zone processes.
Diatom metacommunity structuring in a large lake: geomorphic, water chemistry and dispersal effects on diatom guilds in Lake Ladoga (north-western Russia)
Authors: Rusanov Alexander G. , Kurashov Evgeny A. , Rasulova Anna M. , Bíró Tibor , Vadkerti Edit , Ács Éva 
Published: February 2024

AbstractThe relative importance of environmental filtering and dispersal in structuring metacommunities of littoral periphytic diatoms was assessed within a large lake (Lake Ladoga, north-western Russia). We hypothesized that different diatom functional guilds (high-profile, low-profile, motile and planktic) would respond differently to environmental and spatial variables, depending on their mode of attachment and dispersal ability. Guilds showed distinct distributional patterns along a gradient of wave-induced disturbance: low-profile diatoms dominated in exposed shorelines (high disturbance), whereas high-profile and motile diatoms were more abundant in coastal wetlands (low disturbance). Redundancy analysis with variation partitioning of the entire diatom community revealed that environmental variables (littoral geomorphology and water chemistry) outperformed spatial variables, indicating a predominant role of species sorting. When the diatom community was deconstructed into functional groups, benthic guilds (i.e., low-profile, high-profile and motile) showed higher dependence on environmental factors, whereas the planktic guild was primarily predicted by spatial factors. Thus, benthic taxa with lower dispersal abilities were less impacted by mass effects than planktic taxa. Among benthic guilds, motile diatoms were less sensitive to water chemistry compared to low-profile and high-profile diatoms, suggesting that a group-specific habitat preference may interfere with diatom responses to water quality changes. Hence, the response of diatom guilds to water quality parameters was related to their resistance to wave action. Overall, we concluded that the higher importance of environmental filtering than dispersal-related processes in shaping the diatom metacommunity resulted from a combination of a strong environmental gradient in geomorphology/water chemistry and the intermediate spatial scale of our study.
Neurexin1α knockout in rats causes aberrant social behaviour: relevance for autism and schizophrenia
Authors: Achterberg E. J. Marijke , Biemans Barbara , Vanderschuren Louk J. M. J. 
Published: February 2024

Abstract
Rationale
Genetic and environmental factors cause neuropsychiatric disorders through complex interactions that are far from understood. Loss-of-function mutations in synaptic proteins like neurexin1α have been linked to autism spectrum disorders (ASD) and schizophrenia (SCZ), both characterised by problems in social behaviour. Childhood social play behaviour is thought to facilitate social development, and lack of social play may precipitate or exacerbate ASD and SCZ.

Objective
To test the hypothesis that an environmental insult acts on top of genetic vulnerability to precipitate psychiatric-like phenotypes. To that aim, social behaviour in neurexin1α knockout rats was assessed, with or without deprivation of juvenile social play. We also tested drugs prescribed in ASD or SCZ to assess the relevance of this dual-hit model for these disorders.

Results
Neurexin1α knockout rats showed an aberrant social phenotype, with high amounts of social play, increased motivation to play, age-inappropriate sexual mounting, and an increase in general activity. Play deprivation subtly altered later social behaviour, but did not affect the phenotype of neurexin1α knockout rats. Risperidone and methylphenidate decreased play behaviour in both wild-type and knockout rats. Amphetamine-induced hyperactivity was exaggerated in neurexin1α knockout rats.

Conclusion
Deletion of the neurexin1α gene in rats causes exaggerated social play, which is not modified by social play deprivation. This phenotype therefore resembles disinhibited behaviour rather than the social withdrawal seen in ASD and SCZ. The neurexin1α knockout rat could be a model for inappropriate or disinhibited social behaviour seen in childhood mental disorders.
Heat transfer on impingement cooled meshing spur gears: Experimental comparison of into-mesh, out-of-mesh and inclined impingement methods
Authors: Ayan Emre , Kromer Christian , Schwitzke Corina , Bauer Hans-Jörg 
Published: February 2024

AbstractOil jet impingement cooling is the standard approach to cool high-speed high-power gears. The heat transfer between oil jets and gears is experimentally investigated in this paper. The three established methods of oil jet impingement cooling -into-mesh, out-of-mesh and inclined impingement on one of the gears- are studied. Heat transfer coefficients for these methods are experimentally determined. A loss correction approach is implemented for the evaluation of measurements. For the inclined impingement method, heat transfer on the non-impinged gear and the influence of meshing on the heat transfer coefficient are investigated. Gear meshing has an insignificant effect on the average heat transfer coefficient over the gear tooth. However, the spatial distribution of the heat transfer coefficient depends on the meshing configuration. Significant cooling on the non-impinged gear is observed with the inclined impingement method. The inclined impingement method is superior to the into-mesh and out-of-mesh methods at all measured operating points.
Unconventional light - matter interaction in the response-time region of unionized bound electrons
Authors: Parali Ufuk 
Published: February 2024

AbstractIn the literature, the experimental studies in laser-bound electron interaction without ionization show us that a specific amount of material-dependent response time must already pass so that the conventional interaction starts afterward and the bound electrons sense the electric field being applied to them. On the other hand, due to the lack of this conventional interaction in the mentioned material-specific response-time region, it is not correct to assume that the material is absolutely transparent to the applied field during this time period, in which we hypothesized that there must be an unconventional light-matter interaction phenomenon. We report the first numerical hypothesis for modeling the mechanism of this phenomenon, of which the interaction procedure has not yet been clearly understood. Our hypothesis very simply modifies the interaction Hamiltonian of the system by embedding an unknown time-varying function that we named the modifier function, proposing that it exists only in the response-time region of the material. The numerical solution in this study proved the existence of the modifier function in the response-time region for the first time. In our humble opinion, this proven phenomenon must be studied and understood more clearly both theoretically and experimentally for each material.
Improvements in urinary symptoms, health-related quality of life, and psychosocial distress in the early recovery period after radical cystectomy and urinary diversion in 842 German bladder cancer patients: data from uro-oncological rehabilitation
Authors: Bahlburg Henning , Tully Karl Heinrich , Bach Peter , Butea-Bocu Marius Cristian , Reike Moritz , Roghmann Florian , Noldus Joachim , Müller Guido 
Published: February 2024

Abstract
Purpose
This study aims to investigate urinary symptoms (continence and stoma care), health-related quality of life (HRQoL) and psychosocial distress (PD) in the early postoperative period after radical cystectomy (RC) and urinary diversion for ileal conduit (IC) and ileal neobladder (INB) to obtain a better basis for patient counseling.

Methods
Data for 842 bladder cancer patients, who underwent 3 weeks of inpatient rehabilitation (IR) after RC and urinary diversion (447 IC, 395 INB) between April 2018 and December 2019 were prospectively collected. HRQoL, PD, and urinary symptoms were evaluated by validated questionnaires at the beginning (T1) and the end of IR (T2). In addition, continence status and micturition volume were objectively evaluated in INB patients by 24-h pad test and uroflowmetry, respectively.

Results
Global HRQoL was severely impaired at T1, without significant difference between the two types of urinary diversion. All functioning and symptom scales of HRQoL improved significantly from T1 to T2. In INB patients, all continence parameters improved significantly during IR, while patients with an IC reported fewer problems concerning urostomy management. The proportion of patients suffering from high PD decreased significantly from 50.7 to 34.9%. Age ≤ 59 years was the only independent predictor of high PD. Female patients and patients  ≤ 59 years were more likely to use individual psycho-oncological counseling.

Conclusion
HRQoL, PD and urinary symptoms improved significantly in the early recovery period after RC. Patients with urinary continence reported higher HRQoL and less PD. Psychosocial support should be offered especially to younger patients.
Die Geschichte der kardialen Resynchronisationstherapie
Authors: Stellbrink Christoph 
Published: February 2024

ZusammenfassungVor mehr als 30 Jahren erfolgte die erste Implantation eines permanenten, biventrikulären Herzschrittmachersystems bei einem Patienten mit Herzinsuffizienz und ventrikulärer Leitungsstörung. In diesem Artikel soll die historische Entwicklung der kardialen Resynchronisationstherapie (CRT) vom pathophysiologischen Konzept über die ersten Proof of concept-Studien bis hin zu den großen randomisierten Studien, die dann zum Einzug der CRT in die Leitlinien zur Behandlung der Herzinsuffizienz geführt haben, dargestellt werden. Auch nach der Etablierung der CRT kam es zum einen zu einer Ausweitung der Indikationen z. B. auf Patienten mit milder Herzinsuffizienz oder Vorhofflimmern, aber auch zur Rückbesinnung auf die Patienten mit breiterem QRS-Komplex und Linksschenkelblock, die am meisten profitieren. Neue Techniken wie das Conduction-System-Pacing werden die Schrittmachertherapie bei Herzinsuffizienz verändern, als Alternative oder Ergänzung zur CRT.
The relationship between extreme inter-individual variation in macrophage gene expression and genetic susceptibility to inflammatory bowel disease
Authors: O’Brien Claire L. , Summers Kim M. , Martin Natalia M. , Carter-Cusack Dylan , Yang Yuanhao , Barua Rasel , Dixit Ojas V. A. , Hume David A. , Pavli Paul 
Published: February 2024

AbstractThe differentiation of resident intestinal macrophages from blood monocytes depends upon signals from the macrophage colony-stimulating factor receptor (CSF1R). Analysis of genome-wide association studies (GWAS) indicates that dysregulation of macrophage differentiation and response to microorganisms contributes to susceptibility to chronic inflammatory bowel disease (IBD). Here, we analyzed transcriptomic variation in monocyte-derived macrophages (MDM) from affected and unaffected sib pairs/trios from 22 IBD families and 6 healthy controls. Transcriptional network analysis of the data revealed no overall or inter-sib distinction between affected and unaffected individuals in basal gene expression or the temporal response to lipopolysaccharide (LPS). However, the basal or LPS-inducible expression of individual genes varied independently by as much as 100-fold between subjects. Extreme independent variation in the expression of pairs of HLA-associated transcripts (HLA-B/C, HLA-A/F and HLA-DRB1/DRB5) in macrophages was associated with HLA genotype. Correlation analysis indicated the downstream impacts of variation in the immediate early response to LPS. For example, variation in early expression of IL1B was significantly associated with local SNV genotype and with subsequent peak expression of target genes including IL23A, CXCL1, CXCL3, CXCL8 and NLRP3. Similarly, variation in early IFNB1 expression was correlated with subsequent expression of IFN target genes. Our results support the view that gene-specific dysregulation in macrophage adaptation to the intestinal milieu is associated with genetic susceptibility to IBD.
Assessing the potential risks of climate change on the natural capital of six countries resulting from global warming of 1.5 to 4 °C above pre-industrial levels
Authors: Price Jeff , Warren Rachel , Forstenhäusler Nicole , Jenkins Rhosanna , Graham Erin 
Published: February 2024

AbstractWe present the results from a new framework providing an assessment of how climate change risks to natural capital accrue with warming of 1.5–4 °C in six countries (China, Brazil, Egypt, Ethiopia, Ghana, and India). Unlike typical biodiversity and climate change studies, this assessment also considers landcover and population changes across a range of 17 ecosystem services. The potential impacts of climate change (alone) on natural capital at 1.5 °C is greatest in Brazil and least in Ghana. However, when population and landcover change are included, areas projected to be at high natural capital risk begin to accrue by 1.5 °C in all countries. By 2 °C, Ethiopia and Ghana show increasing areas at high risk, even though they are at low risk owing to climate alone. Thus, current impacts to biodiversity and ecosystem services and changes in potential demand coupled with warming exceed changes projected by climate alone. However, this also indicates that there is adaptation potential, especially with warming of < 2 °C, to reduce risk through restoring habitat. At lower levels of warming, targeted restoration of marginal agricultural habitats would increase the bank of natural capital for use by people and provide support for remaining agricultural lands. By 3 °C, the adaptation potential from restoration is substantially less: < 1% in Brazil, India and Egypt; 7–8% in China and Ethiopia; but still 26% in Ghana. This indicates that restoration as an adaptation option for biodiversity, and thus, natural capital, rapidly decreases with increasing temperatures. By 2100, factoring in population change (SSP2), current ecological footprint, and current landcover, even with only 1.5 °C warming, large parts of Brazil, eastern China, most of Egypt, much of Ethiopia, southwestern Ghana (except for protected areas), and most of India are at high to extreme natural capital risk with an adaptation deficit potentially equating to a soft adaptation limit.