bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioseparation and molecular docking study of selected chiral pharmaceuticals on a commercialized phenylcarbamate-β-cyclodextrin column using polar organic mode
Authors: Dobó Máté , Ádám Márk , Fiser Béla , Papp Lajos Attila , Dombi Gergely , Sekkoum Khaled , Szabó Zoltán-István , Tóth Gergő 
Published: September 2023

AbstractThe chiral separation capability of Chiral-CD-Ph column, containing phenylcarbamate-β-cyclodextrin as the chiral selector in polar organic mode was investigated. A total of twenty-five compounds with different structures and acid–base properties were evaluated, and twenty of them were separated using acetonitrile or methanol as eluent. The effects of various chromatographic parameters, such as the type and proportion of organic modifier, flow rate, and column temperature were analyzed in detail in relation to chromatographic performance. A U-shape retention curve was observed when a mixture of acetonitrile and methanol was used as the eluent, indicating different types of interactions in different solvent mixtures. Van 't Hoff analysis was used for calculation of thermodynamic parameters which revealed that the enantioseparation is mainly enthalpy controlled; however, entropic control was also observed. The enantiomer recognition ability at the atomic level was also investigated through a molecular docking study, which revealed surface binding in polar organic mode instead of inclusion complexation. Our work proves that the phenylcarbamate-β-cyclodextrin-based chiral stationary phase can be effectively used in polar organic mode for the chiral separation of structurally diverse compounds. Furthermore, it is important to note that our study demonstrated that surface binding is responsible for the formation of supramolecular complexes in certain cyclodextrin derivatives.
Heat waves characteristics intensification across Indian smart cities
Authors: Goyal Manish Kumar , Singh Shivam , Jain Vijay 
Published: September 2023

AbstractIndian cities have frequently observed intense and severe heat waves for the last few years. It will be primarily due to a significant increase in the variation in heat wave characteristics like duration, frequency, and intensity across the urban regions of India. This study will determine the impact of future climate scenarios like SSP 245 and 585 over the heat wave characteristics. It will present the comparison between heat waves characteristics in the historical time (1981 to 2020) with future projections, i.e., D1 (2021–2046), D2 (2047–2072), and D3 (2073–2098) for different climate scenarios across Indian smart cities. It is observed that the Coastal, Interior Peninsular, and North-Central regions will observe intense and frequent heat waves in the future under SSP 245 and 585 scenarios. A nearly two-fold increase in heat wave' mean duration will be observed in the smart cities of the Interior Peninsular, Coastal, and North Central zones. Thiruvananthapuram city on the west coast has the maximum hazard associated with heat waves among all the smart cities of India under both SSPs. This study assists smart city policymakers in improving the planning and implementation of heat wave adaptation and mitigation plans based on the proposed framework for heat action plans and heat wave characteristics for improving urban health well-being under hot weather extremes in different homogeneous temperature zones.
A quantitative analysis of spontaneous alternation behaviors on a Y-maze reveals adverse effects of acute social isolation on spatial working memory
Authors: Kim Joowon , Kang Hyeyeon , Lee Young-Beom , Lee Boyoung , Lee Doyun 
Published: September 2023

AbstractAnimals tend to alternate between different choices, which requires the ability to remember recent choices. The Y-maze spontaneous alternation test is widely used in various animal models for assessing short-term memory, and its precise evaluation depends upon the accurate determination of the arm visit sequence. However, an objective method for defining arm visits is lacking owing to uncertainty regarding the extent to which an animal must go into the arm to be considered visited. Here, we conducted quantitative analyses on mice behavior in the Y-maze while systematically varying the arm visit threshold and assessed the effect of acute social isolation on spatial working memory. Our results revealed that 24-h social isolation significantly reduced spontaneous alternation rate when the arm threshold was set at the distal part of the arm. Furthermore, the memory of the recently visited arms faded away faster in the socially isolated mice. However, other behavioral factors were comparable to those of the group-housed mice, indicating a specific impairment of short-term memory. Our findings suggest that the location of arm visit threshold is critical for the precise evaluation of short-term memory, and our study provides a method for comprehensively and systematically assessing spontaneous alternation behavior in the Y-maze.
Prevalence of chronic kidney disease in Kazakhstan: evidence from a national cross-sectional study
Authors: Nursultanova Liza , Kabulbayev Kairat , Ospanova Dinara , Tazhiyeva Aigul , Datkhayev Ubaidilla , Saliev Timur , Tanabayeva Shynar , Fakhradiyev Ildar 
Published: September 2023

AbstractTo date, there have been no large-scale national studies of the prevalence of chronic kidney disease in Kazakhstan. It includes the research based on the analysis of the estimated glomerular filtration rate (eGFR). The aim of this study was to investigate the population prevalence of CKD and associated risk factors in Kazakhstan. The cross-sectional study consisted of a nationally representative sample of n = 6 720 adults aged 18 to 69 from 14 regions and 3 major cities in Kazakhstan. The study covered the period from October 2021 to May 2022. The WHO STEPS questionnaire was used for the survey. For the diagnosis of CKD, creatinine levels in collected blood samples were measured to assess eGFR. Demographic characteristics were collected and studied. The total and adjusted prevalence of factors associated with the presence of CKD were calculated and analysed using logistic regression. 73.5% (n = 4940) of participants had normal eGFR, while 25.2% (n = 1695) had mild CKD (eGFR = 60–89 mL/min/1.7 m2). The overall prevalence of CKD with eGFR < 60 ml/min/1.7 m2 was 1.3% (n = 85), of which 0.2% (n = 15) had eGFR < 45 ml/min/1.7 m2. A mild degree of CKD was most often determined in residents of the East Kazakhstan region in 10.4%, and in 7.8–8.0% of cases. The majority of CKD patients was detected in the East Kazakhstan region and Almaty city, 15.3% and 10.6% of cases respectively. In mild and CKD with GFR < 60 ml/min/1.7 m2, the age of participants was 50–69 years in 61.5% and 78.8% of cases, respectively (p < 0.001). In addition to the association with the place of residence, a statistically significant relationship was found between the risk of developing CKD and underweight (OR 1.43, 95% CI (1.09–1.88), p < 0.001), as well as the presence of obesity (OR 1.24, 95% CI (0.99–1.53), p = 0.04). We observed the prevalence of CKD with eGFR < 60 ml/min/1.7 m2 at the level of 1.3%. However, a fairly large part of study participants had a mild CKD (25.2%). The results of this study can be used for the optimization of the doctors workload and the timely provision of care to patients with CKD.
Identification of phytochemical, antioxidant, anticancer and antimicrobial potential of Calotropis procera leaf aqueous extract
Authors: Ahmad Nejhad Armin , Alizadeh Behbahani Behrooz , Hojjati Mohammad , Vasiee Alireza , Mehrnia Mohammad Amin 
Published: September 2023

AbstractSince the dawn of civilization, people have turned to plants as a safe and efficient form of treatment for a variety of diseases. It has long been known that Calotropis procera has the potential to treat a number of diseases. In this study, the C. procera leaf aqueous extract was obtained using the maceration method, and p-coumaric was found to be the main compound. The extract was rich in phenols (174.82 mg gallic acid equivalent/g) and flavonoids (1781.7 µg quercetin equivalent/g). The extract had high antioxidant properties, as indicated by the IC50 values obtained for 2,2-diphenyl-1-picrylhydrazyl (DPPH) (366.33 μg/mL) and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid (ABTS) (169.04 μg/mL), as well as the ferric ions reducing antioxidant power (FRAP) (1.67 μg ascorbic acid equivalent/g of the extract). The cytotoxicity of the extract was evaluated against the survival of HT 29 cells, and the IC50 was found to be 236.87 μg/mL. The most resistant and sensitive strains to the extract were Escherichia coli and Staphylococcus aureus, respectively. The morphological changes of these strains were demonstrated through scanning electron microscopy and confocal laser scanning microscopy. The C. procera extract could be therefore used as an antioxidant, antimicrobial, and anticancer agent.
Increased risk of flash droughts with raised concurrent hot and dry extremes under global warming
Authors: Zeng Zhaoqi , Wu Wenxiang , Peñuelas Josep , Li Yamei , Jiao Wenzhe , Li Zhaolei , Ren Xinshuai , Wang Ke , Ge Quansheng 
Published: September 2023

AbstractFlash droughts pose large threats to crop yields and ecosystem services due to their sudden onset and rapid intensification, arousing wide public concern in a warming climate. Their long-term characteristics of change, underlying mechanisms, and especially potential impacts on agriculture, forests, and populations at a global scale, however, remain largely unknown. We used in situ observations, two observation-based global reanalysis data sets, and 22 Earth system models to determine that flash droughts are shifting toward more frequent, accelerated-onset, and longer duration. These changes increased the exposure of agricultural areas, forested areas, and populations to flash droughts by 20.3%, 17.1%, and 30.0%, respectively, during 2001–2020 compared to 1981–2000, with a disproportionate increase in integrated risks across the Amazon Basin and eastern and southern Asia. The increase in concurrent hot and dry climatic conditions driven by warming has been mostly responsible for enabling and intensifying flash droughts over large regions. State-of-the-art Coupled Model Intercomparison Project Phase 6 (CMIP6) models, however, failed to identify the acceleration of the onset time of flash droughts and widely underestimated the occurrence of flash droughts that are driven only by precipitation deficits or by heat waves, probably because they misrepresent the dependence between precipitation and temperature and underestimate the sensitivity of soil moisture to temperature and precipitation at short timescales (e.g., 5 days). These syntheses comprehensively advance our understanding of the characteristics and impacts of flash droughts but also highlight that the CMIP6 models need to be validated to represent the correct covariability between climatic variables at short timescales to provide more reliable projections of flash droughts.
Anti-fungal bioactive terpenoids in the bioenergy crop switchgrass (Panicum virgatum) may contribute to ecotype-specific microbiome composition
Authors: Li Xingxing , Chou Ming-Yi , Bonito Gregory M. , Last Robert L. 
Published: September 2023

AbstractPlant derived bioactive small molecules have attracted attention of scientists across fundamental and applied scientific disciplines. We seek to understand the influence of these phytochemicals on rhizosphere and root-associated fungi. We hypothesize that – consistent with accumulating evidence that switchgrass genotype impacts microbiome assembly – differential terpenoid accumulation contributes to switchgrass ecotype-specific microbiome composition. An initial in vitro Petri plate-based disc diffusion screen of 18 switchgrass root derived fungal isolates revealed differential responses to upland- and lowland-isolated metabolites. To identify specific fungal growth-modulating metabolites, we tested fractions from root extracts on three ecologically important fungal isolates – Linnemania elongata, Trichoderma sp. and Fusarium sp. Saponins and diterpenoids were identified as the most prominent antifungal metabolites. Finally, analysis of liquid chromatography-purified terpenoids revealed fungal inhibition structure – activity relationships (SAR). Saponin antifungal activity was primarily determined by the number of sugar moieties – saponins glycosylated at a single core position were inhibitory whereas saponins glycosylated at two core positions were inactive. Saponin core hydroxylation and acetylation were also associated with reduced activity. Diterpenoid activity required the presence of an intact furan ring for strong fungal growth inhibition. These results inform future breeding and biotechnology strategies for crop protection with reduced pesticide application.
AR6 scenarios database: an assessment of current practices and future recommendations
Authors: Peters Glen P. , Al Khourdajie Alaa , Sognnaes Ida , Sanderson Benjamin M. 
Published: September 2023

AbstractMitigation scenarios have become an important element of Intergovernmental Panel on Climate Change (IPCC) reports. We critically assess the curation of the IPCC mitigation scenarios database, with a focus on improving curation and utilisation. The existing method of curation favours particular models, and results may have limited statistical meaning. We draw lessons from experiences with the Coupled Model Intercomparison Project (CMIP) used by the IPCC Working Group I and II communities. We propose that the scientific community takes a more active role in curating the database around policy-relevant knowledge gaps, through an open and peer reviewed process of Model Intercomparison Projects (MIPs) supplemented with individual model studies. The database should be publicly accessible from the time of scenario submission, and actively involve a broad community in developing tools and analysing the database. These suggestions can broaden participation, increase transparency, and enhance the relevance of the database for users.
Climate action post-Paris: how can the IPCC stay relevant?
Authors: Hermansen Erlend A. T. , Boasson Elin L. , Peters Glen P. 
Published: September 2023

AbstractThe Intergovernmental Panel on Climate Change (IPCC) has been a crucial facilitator of climate change research and governance. After its sixth assessment cycle, the organization is at a critical juncture. The amount of climate science has grown tremendously over the past three decades, but so has global emissions of greenhouse gases. If the world is to reach the objectives implied by the Paris Agreement, climate action must accelerate on an unprecedented scale and pace, across widely differing contexts. Scientific knowledge will play a key role in this endeavour. Everyone who produces or relies on climate knowledge needs to wrestle with this pivotal question: How can IPCC processes and outcomes be reformed to produce knowledge that is more relevant for climate action? The organizational and resource constraints of the IPCC must be considered when searching for answers. This is an introduction to a special collection of research articles, reviews and perspectives dealing with this question from many different angles. In this introduction, we present four possible reform agendas for the IPCC in the form of ideal types, all with their advantages and disadvantages. This introduction does not advocate a certain set of reforms but rather attempts to spur discussions and reflections on the IPCC and its future.
Coated microbubbles swim via shell buckling
Authors: Chabouh Georges , Mokbel Marcel , van Elburg Benjamin , Versluis Michel , Segers Tim , Aland Sebastian , Quilliet Catherine , Coupier Gwennou 
Published: September 2023

AbstractEngineered microswimmers show great promise in various biomedical applications. However, their application is hindered by the slow mobility, limited maneuverability and poor biocompatibility. Lipid coated microbubbles have high compressibility and are already approved for clinical use as diagnostic ultrasound contrast agents. Here we experimentally investigate the swimming motion of these microbubbles under external cyclic overpressure. A net displacement was generated via reproducible and non-destructive cycles of deflation and re-inflation of the microbubble. We also propose a numerical model which allows a maximum swimming speed on the order of meters per second, which falls in the range of blood flow velocity in large vessels. Unlike the acoustic radiation force technique, where the displacement is always directed along the axis of ultrasound propagation, here, the direction of propulsion is controlled in the shell reference frame. This provides a solution toward controlled steering for ultrasound molecular imaging and drug delivery.
Hyperammonämie bei einem Neugeborenen
Authors: Keller Anke 
Published: September 2023

ZUSAMMENFASSUNG
Diese Arbeit behandelt die stationäre Aufnahme eines Neugeborenen mit Hyperammonämie auf die Kinderintensivstation des Universitätsklinikums Leipzig anhand eines Fallbeispiels. Dabei werden die Krankheitsbilder erläutert, deren Leitsymptom die Hyperammonämie im Neugeborenenalter ist. Die Symptome und Diagnostik als Abgrenzung zur Neugeborenensepsis, die Akuttherapie mit der Entgiftung über die Nierenersatztherapie und die Langzeittherapie mit der Prognose der Kinder werden kurz beschrieben. Es wurde je eine Verfahrensanweisung erstellt, die bei zukünftigen stationären Aufnahmen solcher Patienten die einzelnen Berufsgruppen im Behandlungsteam – Arzt/Pflegende – unterstützen wird.
Three Lower Lip Sinuses with Congenital Bands Holding Upper and Lower Jaw Together in a Case of Bilateral Cleft Lip and Palate
Authors: Majumdar B.K. , Roy Collin , Chowdhury Siti Roy 
Published: September 2023

SummaryA case of congenital fibrous band holding upper and lower jaw together along with lower lip sinuses in a case of bilateral cleft lip and palate is presented.
Management of Choronic Plantar Ulcers in Leprosy by Flap Surgery
Authors: Rath B.K. , Das B.K. , Das J.M. , Kumar P.P. 
Published: September 2023

SummaryThirty three cases of chronic plantar ulcers due to leprosy were treated by flap surgery and the result analysed. It was observed that local skin flap were suitable for small defects especially in the forefoot. Muscle flaps were most suitable for ulcers of heel. The best procedure currently available to reconstruct ulcers in the weight bearing areas was provided by myocutaneous flaps. Fascio-cutaneous flaps were found useful for covering large defects. Cross-leg and Cross-foot flaps were not suitable for weight-bearing areas and were associated with prolonged immobilisation.
Direct Sagittal Computed Tomography of Temporomandibular Joint
Authors: Pant M.C. , Chandra Ramesh , Agarwal G.N. , Pradhan R. , Chowdhry Manoj , Srivastava P.K. 
Published: September 2023

SummaryDirect sagittal scanning of TMJ with the help of computed tomography gives better information about the osseous alteration of mandibular condyle and temporal bone, joint space narrowing, meniscal configuration and range of movements. The use of 25 cm thick foam between the head rest and the patients's head was found to be simple, inexpensive and helpful in evaluating the various disorders of the temporo-mandibular joint.
Island Nasolabial Flap
Authors: Bhattacharya S. , Jaiswal M.S.D. , Misra N.C. 
Published: September 2023

SummaryThe island nasolabial flap was used for the reconstruction of buccal and alar defects in 10 patients. Alar defects produced after ablating small basal cell carcinomas were covered by superiorly based island nasolabial flap and buccal defects caused by incising oral submucous fibrosis and defects following excision of verrucous carcinoma were reconstructed by inferiorly based island nasolabial flap. The incorporation of the underlying vessel in the flap and selective defattening of the flap and it's pedicle by microdissection greatly aids in increasing it's arc of rotation and improving it's maneuverability.
Quantum state engineering in a three-level system with periodical Gaussian pulses
Authors: Yuan Cheng , Ran Qiu-Yue , Gao Xiao-Qing , Ianconescu Reuven , He Ze-Long , Ran Du 
Published: September 2023

Abstract
In this paper, we propose a scheme to achieve selective population transfer in a Λ-type three-level atomic system with a train of periodical Gaussian pulses. Based on temporal constructive quantum interference between the sequential transitions and subsequent coherent accumulations, the selective population transfer can be achieved with the pulse train, without satisfying the requirement of two-photon resonance condition. It can be understood as a result of the formation of a comb-like structure of the pulse train spectrum in time domain. Numerical simulations demonstrate that the scheme is robust against the wave-form deformation of single pulse while sensitive to the pulse train repetition period. Due to the Gaussian waveform of the laser field been readily implemented in experiments, the scheme holds great practicality for quantum state engineering in quantum information processing.
Molecular-frame photoelectron angular distributions during double core-hole generation in
O2
and
N2
molecules
Authors: Rezvan Dmitrii V , Novikovskiy Nikolay M , Haubenreißer Daniel M , Lagutin Boris M , Demekhin Philipp V 
Published: September 2023

Abstract
Angular distributions of photoelectrons emitted upon double core-hole (DCH) generation in nitrogen and oxygen molecules are studied theoretically in the frame of a molecular reference. The respective electronic structure calculations are performed by the single center method for photoelectron kinetic energies up to 40 eV in the relaxed-core Hartree–Fock approximation. The molecular frame photoelectron angular distributions are computed for single-site and two-site DCH creation processes and further analyzed for different orientations of the molecular axis with respect to the electric field vector of linearly polarized incident light and for localized or delocalized emitting atomic site scenarios. The present theoretical results provide reliable predictions for future experiments with high-repetition free-electron lasers.
Precise plane registration with multiple geometric feature matching and weighted least squares estimation
Authors: Ma Kaixuan , Liu Rufei , Li Zeyu , Wang Fei , Li Ming 
Published: September 2023

Abstract
Point cloud registration is a fundamental problem for 3D laser scanning technology, which is extensively applied in geographic entity modelling such as 3D reconstruction of urban roads and buildings. Registration accuracy is one of the main focuses for these applications. However, noisy points, limited overlap, varying data sources, and differing measuring accuracy may cause changes between point cloud sets and reduce registration accuracy. This paper introduces an automatic plane registration method for urban roads and building scenes, which does not need manual on-site deployment. Firstly, plane primitives are extracted using voxel-based filtering region growth. Next, corresponding planes for the extracted primitives are identified by leveraging saliency features and constructing adjacency matrices. Finally, plane registration is achieved using a weighted plane coordinate conversion model. Through real-world scene experimentation, an overall accuracy of 10 cm and a segmental registration accuracy of 5–6 cm is achieved with our method, outperforming both feature point-based and global point cloud registration approaches in terms of efficiency and accuracy.