bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electronic structures and photophysical properties of carbazole‐ and thiophene‐based organic compounds used as hole‐injecting layer for organic light‐emitting diodes (OLEDs)
Authors: Bourass Mohamed , Nicolas Yohann , Wazzan Nuha , Abarbri Mohamed , Tran‐Van François , Toupance Thierry 
Published: September 2022

AbstractIn this study, we have carried out a theoretical study on six organic compounds based on thiophene and carbazole, with the aim of using them as a hole‐injecting layer of organic light‐emitting diodes (OLEDs). In this study, we have tested two types of structures: D‐π‐D for MO1, MO2, MO3, and MO4 compounds and D‐π‐A for MO5 and MO6 compounds. The correlation structure‐properties of these studied compounds have been proceeded and discussed by analyzing highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), energy gap, polarization effect, atom transition density matrix, absorption, and photoluminescence (PL). This theoretical study, based on density functional theory (DFT)/TPSSTPSS/aug‐cc‐pVQZ and the integral‐equation‐formalism polarizable continuum model/Coulomb attenuated method‐Becke, 3‐parameter, Lee–Yang–Parr (IEFPCM/TD‐CAM‐B3LYP)/6‐31++G(d,p) is consolidated by experimental data for MO1, MO2, and MO4 compounds, allowing the determination of their structural and optoelectronic properties (HOMO, LUMO, gap [Eg], absorption, and emission parameters). The obtained results appear very conclusive and show that the performance of these compounds in terms of luminescence, absorption, and current–voltage (I–V) characteristics of OLED devices make them a promising candidate for the realization of light‐emitting diodes.
Influence of intensive lipid‐lowering on CT derived fractional flow reserve in patients with stable chest pain: Rationale and design of the FLOWPROMOTE study
Authors: Mortensen Martin B. , Sand Niels‐Peter , Busk Martin , Jensen Jesper M. , Grove Erik L. , Dey Damini , Iraqi Nadia , Updegrove Adam , Fonte Tim , Mathiassen Ole N. , Hosbond Susanne , Bøtker Hans E. , Leipsic Jonathon , Narula Jagat , Nørgaard Bjarne L. 
Published: September 2022

AbstractIntroductionCoronary CT angiography (CTA) derived fractional flow reserve (FFRCT) shows high diagnostic performance when compared to invasively measured FFR. Presence and extent of low attenuation plaque density have been shown to be associated with abnormal physiology by measured FFR. Moreover, it is well established that statin therapy reduces the rate of plaque progression and results in morphology alterations underlying atherosclerosis. However, the interplay between lipid lowering treatment, plaque regression, and the coronary physiology has not previously been investigated.AimTo test whether lipid lowering therapy is associated with significant improvement in FFRCT, and whether there is a dose–response relationship between lipid lowering intensity, plaque regression, and coronary flow recovery.MethodsInvestigator driven, prospective, multicenter, randomized study of patients with stable angina, coronary stenosis ≥50% determined by clinically indicated first‐line CTA, and FFRCT ≤ 0.80 in whom coronary revascularization was deferred. Patients are randomized to standard (atorvastatin 40 mg daily) or intensive (rosuvastatin 40 mg + ezetimibe 10 mg daily) lipid lowering therapy for 18 months. Coronary CTA scans with blinded coronary plaque and FFRCT analyses will be repeated after 9 and 18 months. The primary endpoint is the 18‐month difference in FFRCT using (1) the FFRCT value 2 cm distal to stenosis and (2) the lowest distal value in the vessel of interest. A total of 104 patients will be included in the study.ConclusionThe results of this study will provide novel insights into the interplay between lipid lowering, and the pathophysiology in coronary artery disease.
An improved anti‐phishing model utilizing TF‐IDF and AdaBoost
Authors: Sharma Bhawna , Singh Parvinder 
Published: September 2022

SummaryA behavior over the internet, which results into false utilization of the resources is termed as phishing and the techniques to identify them are termed as anti‐phishing frames and algorithms. This research work introduces a new relative similarity approach utilizing similarity index co‐relation by applying Cosine similarity. In order to incorporate the co‐relation, term frequency and inverse document frequency (TF‐IDF) is also calculated. AdaBoost is employed to improve the classification accuracy of the proposed work by means of enhancing the performance of weak learner to classify website into legitimate and phishing one. The simulation analysis has shown that the proposed work outperformed the existing works in terms of accuracy, TPR, and precision of detecting phishing sites to offer secure browsing. Overall model evaluation against 50,000 URL instances have demonstrated an average precision, TPR, F‐measure, accuracy and execution time of 98.64%, 96.52%, 97.56%, 98.014%, and 3.485 s, respectively for phishing detection. This proves the success of the proposed model in shielding phishing attack.
A survey on improving pattern matching algorithms for biological sequences
Authors: Hamed Belal A. , Ibrahim Osman Ali Sadek , Abd El‐Hafeez Tarek 
Published: September 2022

SummaryPattern matching is a highly useful procedure in several stages of the computational pipelines. Furthermore, some research trends in this research domain contributed to growing biological databases and updated them throughout time. This article proposes an comparison and analysis of different algorithms for match equivalent pattern matching like complexity, efficiency, and techniques. Which algorithm is best for which DNA sequence and why? This describes the different algorithms for various activities that include pattern matching as an important aspect of functionality. This article shows that BM, Horspool, ZT, QS, FS, Smith, and SSABS methods employ the bad character preprocessing function. In addition, BM, SSABS, TVSBS, and BRFS methods are using two approaches in the preprocessing stage, which decreases the preprocessing time. Furthermore, KR, QS, SSABS, BRFS, and Shift‐Or are not recommended for the long pattern, whereas ZT, FS, d‐BM, Raita, and Smith are not recommended for the short pattern. This is because they are time‐consuming and certain algorithms, such as ZT and DCPM, use a lot of time and space during the matching and search process, while others, such as d‐BM and TSW, save space and time. Although DCPM, BRFS, and QS are quicker than other algorithms, FLPM, PAPM, and LFPM rank highest in terms of complexity time.
Crystal Structure, Magnetic Study, and Antidiabetic Activity of Ni(II) Complex with N,O‐Donors Ligands
Authors: Selmi Ahmed , Said Khemais , Nasri Saber , Tachoua Wafa 
Published: September 2022

AbstractCoordination chemistry of divalent ions involving multidentate ligands have received limited attention. The present work reports the synthesis of a mixed ligand complex of Ni(II) which is characterized by X‐ray single‐crystal diffraction, thermal, IR spectroscopy, magnetic, and in vitro antidiabetic activity. The atomic arrangement of the complex consists of two Ni(II) bridged by two ligands of organic molecules 5‐(pyridin‐2‐yl)‐1,2,4‐triazol‐1‐ide (Ligand L1) and 2‐(4‐chlorobenzoyl)benzoate (Ligand L2) which throw their nitrogen and oxygen atoms. The Ni2+ adopts a distorted octahedral geometry (NiO2N2(OH2)2). Infrared spectroscopy shows the existence of O─H, C─N, C═O, and absorption bands Ni─(O,N). The thermal study proves that this compound undergoes dehydration then decomposition over a large domain of temperature. The magnetic properties of the complex demonstrate an antiferromagnetic interaction between two adjacent nickel atoms mediated by throw ligand (L1). The antidiabetic effect of this compound is supported by a biological test in vitro and is confirmed by molecular docking suggesting good inhibitory activity of the prepared complex for α‐amylase.
Maximum power point tracking controller implementation in multiple input converter for effective solar energy harvesting using maximum power point resistance method
Authors: Rao Chereku Kamesh , Patel Ramnarayan , Sahu Lalit Kumar , Gupta Krishna Kumar , Barwar Manish Kumar 
Published: September 2022

AbstractSolar energy is widely acknowledged as one of the most promising renewable energy sources for addressing future electrical energy demands. Photovoltaic modules (PVms) convert solar energy into electrical energy and are highly sensitive to nonlinear changes in environmental circumstances, which in turn affect the generation of electricity from the PVms. The module‐level maximum power point tracking (MPPT) of PVms using multiple input converters (MICs) is the effective and cost‐efficient method among all the methodologies and techniques. MICs, on the other hand, suffer from a cross power‐sharing difficulty due to their modular design, which implies that the individual cells that make up the device impact on each other's power‐sharing operation. The solution to which have been ignored in the literature. The objective of this paper is to employ the maximum power point resistance (MPPR) approach to determine an appropriate duty ratio range for the proposed MIC while taking into consideration the cross effect of different cells. Steady‐state, power loss, and efficiency analysis of the proposed MIC structure with less component count have been included. The proposed approach has been validated experimentally and further, a comparative analysis with recently reported various approaches has also been included to prove the suitability of the proposed approach.
Detailed bladder cancer immunoprofiling reveals new clues for immunotherapeutic strategies
Authors: Viveiros Nicole , Flores Bianca CT , Lobo João , Martins‐Lima Cláudia , Cantante Mariana , Lopes Paula , Deantonio Cecilia , Palu Cintia , Sainson Richard CA , Henrique Rui , Jerónimo Carmen 
Published: September 2022

AbstractObjectivesBladder cancer (BlCa) is the tenth most frequent malignancy worldwide and the costliest to treat and monitor. Muscle‐invasive BlCa (MIBC) has a dismal prognosis, entailing the need for alternative therapies for the standard radical cystectomy. Checkpoint blockade immunotherapy has been approved for high‐grade non‐muscle‐invasive BlCa (HG NMIBC) and metastatic disease, but its effectiveness in localised MIBC remains under scrutiny. Herein, we sought to characterise and compare the immune infiltrate of HG NMIBC and MIBC samples, including ICOS expression, a targetable immune checkpoint associated with regulatory T cell(Tregs)‐mediated immunosuppression.MethodsImmunohistochemistry for CD83, CD20, CD68, CD163, CD3, CD8, CD4, FoxP3/ICOS and PD‐L1 was performed in HG NMIBC and MIBC samples (n = 206), and positive staining was quantified in the peritumoral and/or intratumoral tissue compartments with QuPath imaging software.ResultsCD20+ B cells, CD68+ and CD163+ tumor‐associated macrophages were significantly increased in MIBCs and associated with poor prognosis. In turn, higher infiltration of T cells was associated with prolonged survival, with exception of the CD4+ helper subset. Intratumoral expression of CD3 and CD8 was independent prognostic factors for increased disease‐free survival (DFS) in multivariable analysis. Remarkably, Tregs (FoxP3+/FoxP3+ICOS+) were found differentially distributed between tissue compartments. PD‐L1 immunoexpression independently predicted a shorter DFS and associated with higher infiltration of FoxP3+ICOS+ Tregs.ConclusionsImmune infiltrates of HG NMIBC and MIBC display significant differences that may help selecting patients for immunotherapies. Considering ICOS immunoexpression results, it might constitute a relevant therapeutic target, eventually in combination with anti‐PD‐1/PD‐L1 therapies, for certain BlCa patient subsets.
Melanotic medullary thyroid carcinoma: A case report with review of the literature
Authors: Brzezinska Katarzyna A. , Bhardwaj Swati , Teng Marita S. , Si Qiusheng , Sun Jihong , Westra William H. , Zakowski Maureen F. , Szporn Arnold H. 
Published: September 2022

AbstractMelanotic medullary thyroid carcinoma is morphologically defined by the presence of melanin deposits in the cytoplasm of tumor cells. It is an extremely rare variant with only 15 cases described in the literature to date and only one report of diagnosis by fine needle aspiration (FNA) biopsy. A 51‐year‐old woman presented with neck swelling. An ultrasound examination revealed a single solid nodule in the right thyroid lobe that measured 5.4 × 4.7 × 4.3 cm. Laboratory examination revealed elevated levels of serum calcitonin (8643.0 pg/ml), carcinoembryonic antigen (CEA) (86.2 ng/ml), and chromogranin A (123.2 ng/ml). An FNA biopsy of the thyroid nodule revealed predominantly single plasmacytoid cells with round to oval eccentric nuclei and dark brown intracytoplasmic granules. Immunohistochemical studies with Melan‐A performed on a cell block slide confirmed that the granules contained melanin. The tumor cells were also positive for calcitonin, CEA, synaptophysin, AE1/AE3, CAM5.2, and HMB‐45(focal); the tumor cells were negative for chromogranin, thyroglobulin, PAX8 and TTF‐1. The diagnosis was reported as melanotic variant of medullary thyroid carcinoma. The patient underwent a total thyroidectomy which revealed tumor cell expression of insulinoma‐associated protein 1 and confirmed neuroendocrine differentiation. Shortly after she presented with tumor recurrence in the thyroidectomy bed. The tumor cells were positive for only S100, SOX10, and Melan‐A. Molecular analysis with the SEMA4 Solid Tumor Panel revealed mutations in the HRAS, PIK3CA, PIK3R1, MYC, and CCND3 genes. The final diagnosis was reported as melanocytic medullary thyroid carcinoma with high grade transformation and loss of epithelial and neuroendocrine expression.
Quantifying the vertical water exchange of dominant tree species in a reclaimed landscape in the Athabasca oil sands region, Alberta
Authors: Fettah Sarah , Petrone Richard M. , Elmes Matthew C. , Price Jonathan S. 
Published: September 2022

AbstractLarge‐scale oil sands mining in the Athabasca oil sands region has caused significant disturbance to forest and peatland ecosystems of the Western Boreal Plains in northeastern Alberta, Canada. Reclamation of these ecosystems has faced many challenges, including successful re‐vegetation of uplands. The trajectory of reclaimed uplands depends on the community structure of tree species, which in turn influences vertical water exchanges via increases in rainfall interception and transpiration. The trajectory therefore influences vadose zone moisture dynamics and reduces water available for recharge to adjacent reclaimed peatlands. The objectives of this study were to assess trends in transpiration of dominant tree species in a reclaimed upland and quantify canopy–rainfall dynamics and its impact on near‐surface soil moisture regime and tree water use. To assess these trends, throughfall, interception and stemflow were measured throughout the growing season. Tree transpiration was measured using sap flow sensors, along with soil tension measurements using soil tensiometers. Results indicate that tree transpiration and water use are controlled by water availability, and at this stage (6 years since reclamation), canopy interception has begun to play an important role in partitioning growing season rainfall. At this time in canopy development, transpiration accounted for 52% of water losses from the system, with broadleaf trees contributing 71%. However, coniferous trees had greater interception capabilities, as Picea mariana intercepted 35% and Pinus banksiana 32%, while broadleaf Populus tremuloides and Populus balsamifera contributed 29% and 26%, respectively. As this reclaimed upland canopy continues to evolve, moisture partitioning, including groundwater recharge to the adjacent fen will continue to change over time, suggesting that the successional pathway of constructed watersheds is strongly influenced by hydrometeorological conditions within the first decade.
Net effects of life‐history traits explain persistent differences in abundance among similar species
Authors: McWilliam Mike , Dornelas Maria , Álvarez‐Noriega Mariana , Baird Andrew H. , Connolly Sean R. , Madin Joshua S. 
Published: September 2022

AbstractLife‐history traits are promising tools to predict species commonness and rarity because they influence a population's fitness in a given environment. Yet, species with similar traits can have vastly different abundances, challenging the prospect of robust trait‐based predictions. Using long‐term demographic monitoring, we show that coral populations with similar morphological and life‐history traits show persistent (decade‐long) differences in abundance. Morphological groups predicted species positions along two, well known life‐history axes (the fast‐slow continuum and size‐specific fecundity). However, integral projection models revealed that density‐independent population growth (λ) was more variable within morphological groups, and was consistently higher in dominant species relative to rare species. Within‐group λ differences projected large abundance differences among similar species in short timeframes, and were generated by small but compounding variation in growth, survival, and reproduction. Our study shows that easily measured morphological traits predict demographic strategies, yet small life‐history differences can accumulate into large differences in λ and abundance among similar species. Quantifying the net effects of multiple traits on population dynamics is therefore essential to anticipate species commonness and rarity.
Delayed trophic response of a marine predator to ocean condition and prey availability during the past century
Authors: Feddern Megan L. , Holtgrieve Gordon W. , Ward Eric J. 
Published: September 2022

AbstractUnderstanding the response of predators to ecological change at multiple temporal scales can elucidate critical predator–prey dynamics that would otherwise go unrecognized. We performed compound‐specific nitrogen stable isotope analysis of amino acids on 153 harbor seal museum skull specimens to determine how trophic position of this marine predator has responded to ecosystem change over the past century. The relationships between harbor seal trophic position, ocean condition, and prey abundance, were analyzed using hierarchical modeling of a multi‐amino‐acid framework and applying 1, 2, and 3 years temporal lags. We identified delayed responses of harbor seal trophic position to both physical ocean conditions (upwelling, sea surface temperature, freshwater discharge) and prey availability (Pacific hake, Pacific herring, and Chinook salmon). However, the magnitude and direction of the trophic position response to ecological changes depended on the temporal delay. For example, harbor seal trophic position was negatively associated with summer upwelling but had a 1‐year delayed response to summer sea surface temperature, indicating that some predator responses to ecosystem change are not immediately observable. These results highlight the importance of considering dynamic responses of predators to their environment as multiple ecological factors are often changing simultaneously and can take years to propagate up the food web.
Manipulation of multiple floral traits demonstrates role in pollinator disease transmission
Authors: Van Wyk Jennifer I. , Lynch Amy‐Mei , Adler Lynn S. 
Published: September 2022

AbstractPlants modulate multitrophic ecological interactions, and variation in plant traits can affect these interactions. Pollinators are exposed to pathogens at flowers and acquire or transmit pathogens at different rates on different plant species, but the traits mediating those interactions are almost entirely unknown. We experimentally manipulated five plant traits that span scales including flower, inflorescence, and plant, to determine their effects on pathogen transmission between foraging bees. Specifically, we manipulated two morphological traits (corolla lip length and flower orientation within an inflorescence) and three resource distribution traits (inflorescence nectar, plant patch nectar, and plant aggregation) in tents to test how plant traits affect bee pathogen transmission. We also quantified foraging behavior and fecal deposition patterns as potential mechanisms driving differences in transmission, and assessed trait manipulation consequences for bee reproduction. We found that pathogen transmission was reduced when we trimmed the corolla lip, evenly dispersed nectar distribution within an inflorescence, or aggregated plants in space. Some traits also affected bee reproduction; tents with trimmed corollas had more larval production than control tents, and tents with evenly distributed nectar across plant patches had more larval production than tents with clumped resources. Thus, some trait manipulations both reduced transmission and increased bee microcolony reproduction, although our design does not allow us to discern whether these are related or separate effects. Taken together, our results demonstrate causal effects of several floral traits on pathogen transmission and pollinator reproduction, indicating the importance of intraspecific plant trait variation for pollinator health and population dynamics.
Removal of cardiac AL amyloid with positive remodelling of cardiomyocytes and of restrictive cardiomyopathy
Authors: Frustaci Andrea , Verardo Romina , Galea Nicola , Alfarano Maria , Sansone Luigi , Russo Matteo Antonio , Chimenti Cristina 
Published: September 2022

AbstractHerein, we describe histological mobilization of light chain cardiac amyloid documented by sequential left ventricular endomyocardial biopsies. These findings were associated with positive remodelling of cardiomyocytes and of restrictive cardiomyopathy resulting from 14 courses of chemotherapy over 17 years of time. Histological and ultrastructural findings of light chain cardiac amyloid removal led to increase in cardiomyocyte dimension and electrocardiogram voltages, reduction of biventricular wall thickness with improvement of left ventricular diastolic function, and NYHA class shifting from III to I.
A Gel Polymer Electrolyte with 2D Filler‐reinforced for Dendrite Suppression Li‐Ion Batteries
Authors: Zhou Zheng , Pei Xin , Zhang Tao , Wang Liting , Hong Jianhe , Lu Yu , He Gang 
Published: September 2022

AbstractGel polymer electrolytes (GPEs) incorporate both the high ionic conductivity of organic liquid electrolyte and the high safety performance of all‐solid‐state electrolytes (ASSEs), greatly improving the electrochemical performance of solid polymer electrolytes (SPEs). However, the practical application of GPEs is still limited by inferior interface compatibility, lithium dendrites, etc. Herein, we prepared GPEs based on poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP) further co‐blended the two‐dimensional sheet inorganic filler hectorite and poly(methyl methacrylate) (PMMA) to improve the mechanical and electrochemical properties of the GPEs. When the content of PMMA and hectorite is optimal, this GPEs have an ionic conductivity of 1.06×10−3 S cm−1 and outstanding lithium symmetric cells cycle time of more than 3000 h, indicating that the introduction of filler effectively inhibits the growth of lithium dendrites at room temperature. Moreover, the GPEs adopt a relatively simple solution casting method to provide a fresh idea for the synthesis of high‐performance GPEs.