bluuebunny/crossref_metadata_2025_split huggingface dataset:
The burden and predictors of venous thromboembolic diseases in patients with multiple primary malignancies
Authors: Alhamadh Moustafa S. , Alanazi Rakan B. , Alqirnas Muhannad Q. , Alhabeeb Abdulrahman Yousef , Chachar Yusra Sajid , Alkaiyat Mohammad , Sabatin Fouad 
Published: October 2022

AbstractBackgroundVenous thromboembolism (VTE) represents a considerable burden on cancer patients' survival and quality of life, but this burden varies based on the patient's baseline characteristics and cancer‐related factors. Although solid evidence on the predictors and effect of VTE in cancer patients exists.AimTo evaluate VTE rate, morbidity, and mortality to develop parameters that could predict VTEs and their associated mortality in patients with multiple primary malignancies (MPMs).Method and ResultsThis was a retrospective cohort study that took place at King Abdulaziz Medical City, Riyadh, Kingdom of Saudi Arabia. Two hundred and forty‐two patients with at least two biopsy‐proven malignancies and had at least 3 months of follow‐up after MPMs diagnosis were included. VTE was diagnosed in 14.5% of the cases, two‐thirds of which were deep vein thrombosis. VTE was significantly associated with a higher mortality and worse survival. Predictors of VTE after MPMs diagnosis were a high ECOG performance status at MPMs diagnosis, a metastatic first primary malignancy, and ICU admission after MPMs diagnosis. Having a GI or hematological malignancy as the second primary malignancy, a high D‐dimer at ICU admission, and palliative care referral were significantly associated with a higher mortality in patients who had VTE.ConclusionVTE was diagnosed in 14.5% of patients with MPMs and it significantly compromises their survival. We believe that these results might be of particular benefit since the phenomenon of MPMs is becoming more frequently encountered.
Quantum Phase Diagram of a Frustrated Spin‐1/2 Ferro‐Antiferromagnetic Normal Ladder
Authors: Chatterjee Monalisa , Maiti Debasmita , Kumar Manoranjan 
Published: October 2022

AbstractIn this work, we consider a frustrated two‐leg spin‐1/2 ladder composed of Heisenberg ferromagnetic and antiferromagnetic spin‐1/2 chains, and nearest spins from different legs interact via Heisenberg type rung exchange interactions that can be either ferromagnetic or antiferromagnetic in nature. The competing exchange interactions in the system lead to five different quantum phases like ferromagnetic, non‐collinear ferrimagnetic (NCF),
, antiferromagnetic and dimer phases. The quantum phase diagram is constructed for the Heisenberg spin‐1/2 model and the phases are characterized using the correlation functions which are calculated by the density matrix renormalization group method. We also analyze the stability of
phase and calculate the pitch angle
in the NCF phase.
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy
Authors: Patra Chayan , Agarawal Valay , Halder Dipanjali , Chakraborty Anish , Mondal Dibyendu , Halder Sonaldeep , Maitra Rahul 
Published: October 2022

AbstractThe coupled cluster iteration scheme for determining the cluster amplitudes involves a set of nonlinearly coupled difference equations. In the space spanned by the amplitudes, the set of equations are analyzed as a multivariate time‐discrete map where the concept of time appears in an implicit manner. With the observation that the cluster amplitudes have difference in their relaxation timescales with respect to the distributions of their magnitudes, the coupled cluster iteration dynamics are considered as a synergistic motion of coexisting slow and fast relaxing modes, manifesting a dynamical hierarchical structure. With the identification of the highly damped auxiliary amplitudes, their time variation can be neglected compared to the principal amplitudes which take much longer time to reach the fixed points. We analytically establish the adiabatic approximation where each of these auxiliary amplitudes are expressed as unique parametric functions of the collective principal amplitudes, allowing us to study the optimization with the latter taken as the independent degrees of freedom. Such decoupling of the amplitudes significantly reduces the computational scaling without sacrificing the accuracy in the ground state energy as demonstrated by a number of challenging molecular applications. A road‐map to treat higher order post‐adiabatic effects is also discussed.
Coupling Effects of Electrostatic Interactions and Salt Concentration Gradient in Polymer Translocation through a Nanopore: A Coarse‐Grained Molecular Dynamics Simulations Study
Authors: Dabhade Akash , Chauhan Akshay , Chaudhury Srabanti 
Published: October 2022

AbstractWe study the influence of polymer pore interactions and focus on the role played by the concentration gradient of salt in the translocation of polyelectrolytes (PE) through nanopores explicitly using coarse‐grained Langevin dynamics simulations. The mean translocation time is calculated by varying the applied voltage, the pH, and the salt concentration gradient. Changing the pH can alter the electrostatic interaction between the protein pore and the polyelectrolyte chain. The polymer pore interaction is weakened by the increase in the strength of the externally applied electric field that drives translocation. Additionally, the screening effect of the salt can reduce the strong charge‐charge repulsion between the PE beads which can make translocation faster. The simulation results show there can be antagonistic or synergistic coupling between the salt concentration‐induced screening effect and the drift force originating from the salt concentration gradient thereby affecting the translocation time. Our simulation results are explained qualitatively with free energy calculations.
Structural Properties of Hachimoji Nucleic Acids and Their Building Blocks: Comparison of Genetic Systems with Four, Six and Eight Alphabets
Authors: Negi Indu , Singh Bimaldeep , Singh Mahmi Amanpreet , Sharma Purshotam 
Published: October 2022

AbstractExpansion of the genetic alphabet is an ambitious goal. A recent breakthrough has led to the eight‐base (hachimoji) genetics having canonical and unnatural bases. However, very little is known on the molecular‐level features that facilitate the candidature of unnatural bases as genetic alphabets. Here we amalgamated DFT calculations and MD simulations to analyse the properties of the constituents of hachimoji DNA and RNA. DFT reveals the dominant syn conformation for isolated unnatural deoxyribonucleosides and at the 5′‐end of oligonucleotides, although an anti/syn mixture is predicted at the nonterminal and 3′‐terminal positions. However, isolated ribonucleotides prefer an anti/syn mixture, but mostly prefer anti conformation at the nonterminal positions. Further, the canonical base pairing combinations reveals significant strength, which may facilitate replication of hachimoji DNA. We also identify noncanonical base pairs that can better tolerate the substitution of unnatural pairs in RNA. Stacking strengths of 51 dimers reveals higher average stacking stabilization of dimers of hachimoji bases than canonical bases, which provides clues for choosing energetically stable sequences. A total of 14.4 μs MD simulations reveal the influence of solvent on the properties of hachimoji oligonucleotides and point to the likely fidelity of replication of hachimoji DNA. Our results pinpoint the features that explain the experimentally observed stability of hachimoji DNA.
Comparison of serum levels of vitamin D in periodontitis patients with and without type 2 diabetes and healthy subjects
Authors: Akbari Narjes , Hanafi Bojd Marjan , Goldani Moghadam Mahdjoube , Raeesi Vajehallah 
Published: October 2022

AbstractObjectiveThe purpose of this study is to find out the levels of serum vitamin D in periodontitis patients with and without type 2 diabetes and to compare them with healthy subjects.MethodsIn this study, 48 periodontitis patients with type 2 diabetes mellitus (PDM), 53 periodontitis patients (P), and 42 controls who were in the age ranges of 30–50 years and had the entry requirements were selected. Plaque index, calculus index, modified gingival index, pocket depth, clinical attachment loss (CAL), and tooth loss were measured. Serum 25(OH)D level was estimated by electrochemiluminescence immunoassay, and fasting blood sugar and glycosylated hemoglobin were estimated by biochemical colorimetric assays.ResultsThe mean serum 25(OH)D level was 17.06 ± 10.73, 15.12 ± 7.74, and 14.17 ± 11.04 ηg/ml for PDM, P, and control groups, respectively, showing no statistical difference. The mean CAL was significantly high in diabetic patients as compared to other groups. Prediabetes prevalence was significantly high in periodontitis patients as compared to controls.ConclusionsThe prevalence of vitamin D insufficiency was high in the population studied. Serum levels of 25(OH)D showed no significant difference between groups. Periodontitis patients showed an elevated risk for diabetes.
Investigating biodiversity and circular economy disclosure practices: Insights from global firms
Authors: Roberts Lee , Georgiou Nikoletta , Hassan Abeer Mohamed 
Published: October 2022

AbstractBusiness activity has contributed to biodiversity loss. The Circular Economy (CE) system is recommended as a way of recovery and to improve global resilience. Combining accounting and ecology, we examine the intersectionality between biodiversity and CE. Therefore, the research aims to investigate the companies' reporting practices on both CE system implemented, and the corrective actions taken to repair biodiversity. To achieve the research aim, we developed a new disclosure index that includes both biodiversity and CE measures. Data is collected from 28 companies operating in three different industries sectors (aerospace and defense, motor vehicle and parts, and transportation) for 4 years (2012, 2014, 2016 and 2018). Our results show, in general, the overall scoring of disclosures is low, with companies providing minimal and vague information and many companies scored ZERO in all of our disclosure items showing that companies have a lack of knowledge on the biodiversity and CE concept. However, there is an increase in the level of disclosures on both biodiversity and CE between 2012, 2014, and 2016 and there is a small decrease for the 2018. Furthermore, the Motor industry is providing more disclosure on both biodiversity and CE, followed by Aerospace & Defense and Transportation industry was the lowest in providing disclosure on both biodiversity and CE. Our study contributes to both biodiversity and CE literature as well as providing some insights on the interconnection of both concepts which is crucial for the future sustainable development.
Novel transketolase inhibitor oroxylin A suppresses the non‐oxidative pentose phosphate pathway and hepatocellular carcinoma tumour growth in mice and patient‐derived organoids
Authors: Jia Dan , Liu Chunliang , Zhu Zhenyu , Cao Yan , Wen Wen , Hong Zhanying , Liu Yue , Liu Erdong , Chen Long , Chen Chun , Gu Yanqiu , Jiao Binghua , Chai Yifeng , Wang Hong‐yang , Fu Jing , Chen Xiaofei 
Published: October 2022

AbstractBackgroundTransketolase (TKT), a key rate‐limiting enzyme in the non‐oxidative branch of the pentose phosphate pathway (PPP), provides more than 85% of the ribose required for de novo nucleotide biosynthesis and promotes the development of hepatocellular carcinoma (HCC). Pharmacologic inhibition of TKT could impede HCC development and enhance treatment efficacy. However, no safe and effective TKT inhibitor has been approved.MethodsAn online two‐dimensional TKT protein immobilised biochromatographic system was established for high‐throughput screening of TKT ligands. Oroxylin A was found to specifically bind TKT. Drug affinity responsive target stability, cellular thermal shift assay, surface plasmon resonance, molecular docking, competitive displacement assay, and site mutation were performed to identify the binding of oroxylin A with TKT. Antitumour effects of oroxylin A were evaluated in vitro, in human xenograft mice, diethylnitrosamine (DEN)‐induced HCC mice, and patient‐derived organoids (PDOs). Metabolomic analysis was applied to detect the enzyme activity. Transcriptome profiling was conducted to illustrate the anti‐HCC mechanism of oroxylin A. TKT knocking‐down HCC cell lines and PDOs were established to evaluate the role of TKT in oroxylin A‐induced HCC suppression.ResultsBy targeting TKT, oroxylin A stabilised the protein to proteases and temperature extremes, decreased its activity and expression, resulted in accumulation of non‐oxidative PPP substrates, and activated p53 signalling. In addition, oroxylin A suppressed cell proliferation, induced apoptosis and cell‐cycle arrest, and inhibited the growth of human xenograft tumours and DEN‐induced HCC in mice. Crucially, TKT depletion exerted identical effects to oroxylin A, and the promising inhibitor also exhibited excellent therapeutic efficacy against clinically relevant HCC PDOs.ConclusionsThese results uncover a unique role for oroxylin A in TKT inhibition, which directly targets TKT and suppresses the non‐oxidative PPP. Our findings will facilitate the development of small‐molecule inhibitors of TKT and novel therapeutics for HCC.
A novel data size‐aware offloading technique for resource provisioning in mobile cloud computing
Authors: Manukumar Shanthi Thangam , Muthuswamy Vijayalakshmi 
Published: October 2022

SummaryMobile device users are involved in social networking, gaming, learning, and even some office work, so the end users expect mobile devices with high‐response computing capacities, storage, and high battery power consumption. The data‐intensive applications, such as text search, online gaming, and face recognition usage, have tremendously increased. With such high complex applications, there are many issues in mobile devices, namely, fast battery draining, limited power, low storage capacity, and increased energy consumption. The novelty of this work is to strike a balance between time and energy consumption of mobile devices while using data‐intensive applications by finding the optimal offloading decisions. This paper proposes a novel efficient Data Size‐Aware Offloading Model (DSAOM) for data‐intensive applications and to predict the appropriate resource provider for dynamic resource allocation in mobile cloud computing. Based on the data size, the tasks are separated and gradually allocated to the appropriate resource providers for execution. The task is placed into the appropriate resource provider by considering the availability services in the fog nodes or the cloud. The tasks are split into smaller portions for execution in the neighbor fog nodes. To execute the task in the remote side, the offloading decision is made by using the min‐cut algorithm by considering the monetary cost of the mobile device. This proposed system achieves low‐latency time 13.2% and low response time 14.1% and minimizes 24% of the energy consumption over the existing model. Finally, according to experimental findings, this framework efficiently lowers energy use and improves performance for data‐intensive demanding application activities, and the task offloading strategy is effective for intensive offloading requests.
Family income buffers the relationship between childhood adverse experiences and putamen volume
Authors: Herzberg Max P. , Hennefield Laura , Luking Katherine R. , Sanders Ashley F. P. , Vogel Alecia C. , Kandala Sridhar , Tillman Rebecca , Luby Joan , Barch Deanna M. 
Published: October 2022

AbstractAdverse experiences and family income in childhood have been associated with altered brain development. While there is a large body of research examining these associations, it has primarily used cross‐sectional data sources and studied adverse experiences and family income in isolation. However, it is possible that low family income and adverse experiences represent dissociable and potentially interacting profiles of risk. To address this gap in the literature, we examined brain structure as a function of adverse experiences in childhood and family income in 158 youths with up to five waves of MRI data. Specifically, we assessed the interactive effect of these two risk factors on six regions of interest: hippocampus, putamen, amygdala, nucleus accumbens, caudate, and thalamus. Adverse experiences and family income interacted to predict putamen volume (B = 0.086, p = 0.011) but only in participants with family income one standard deviation below the mean (slope estimate = −0.11, p = 0.03). These results suggest that adverse experiences in childhood result in distinct patterns of brain development across the socioeconomic gradient. Given previous findings implicating the role of the putamen in psychopathology‐related behaviors, these results emphasize the importance of considering life events and socioeconomic context when evaluating markers of risk. Future research should include interactive effects of environmental exposures and family income to better characterize risk for psychopathology in diverse samples.
Bioinspired superwetting materials for water manipulation
Authors: Leng Xu , Sun Linchao , Long Yaojia , Lu Yao 
Published: October 2022

AbstractWater manipulation is crucial for a wide range of engineering applications, such as microfluidics, heat transfer, desalination, and water harvesting. Despite scientific achievements in the past few decades, it remains challenging to achieve efficient and well‐controllable droplet transport in practical applications. In nature, creatures have evolved ingenious wisdom to manipulate water to adapt to their environments. Learning from nature and combining bioinspirations with advanced manufacturing technology are promising to fabricate excellent materials for directional water transport. In this review, we summarize the mechanisms of water droplet manipulation on various biological surfaces and review the recent progress in fabricating hydrophilic surfaces, hybrid hydrophilic/hydrophobic surfaces, and slippery lubricant‐infused porous surfaces (SLIPSs) with bioinspiration for water manipulation. These novel bioinspired materials have great potential in many fields, especially for water harvesting. Finally, current challenges and future perspectives in this field are proposed.
Evaporation‐driven octagonal particle deposition on the patterned substrate
Authors: Lim Si X. , Ren Junheng , Ong Kian‐Soo , Chong Karen S. L. , Duan Fei 
Published: October 2022

AbstractUnderstanding noncircular deposition patterns can offer broad applications; however, the phenomena have not been thoroughly studied. We experimentally investigate particle self‐assembly of microspherical polystyrene particle‐laden sessile droplets dried on a micropyramid cavity substrate. The particle sizes and concentrations in the droplets are found to modify the inner particle deposition with the octagonal perimeter. The droplets with mass concentrations of 0.5% and higher evaporate with the pinned contact lines. The capillary flow flushes the 3 µm particles to the contact line and creates octagonal outer‐ring patterns. The 10 µm particles are more evenly distributed in the depositions of the dried droplets. However, at a high mass concentration of 2.6%, the particles adsorbed at the droplet liquid–air interface form an agglomerate and deposit toward the centerline, leading to the crater‐shaped pattern. Higher concentrations provoke the thicker octagonal outer‐ring depositions regardless of the particle sizes in the droplets. The findings could inspire applications to control noncircular wetting and drying of particle‐laden sessile droplets.
Genetic variation among sea turtle life stages and species suggests connectivity among ocean basins
Authors: Phillips Katrina F. , Martin Katherine R. , Stahelin Gustavo D. , Savage Anna E. , Mansfield Katherine L. 
Published: October 2022

AbstractRegional genetic differentiation of mitochondrial lineages occurs in migratory species with natal philopatry such as sea turtles. However, early juvenile dispersal represents a key opportunity for gene flow and colonization of new regions through founder events, making it an important yet under‐studied life stage. To assess connectivity among sea turtle life stages and ocean basins, we sequenced mitochondrial DNA (mtDNA) fragments from 35 juveniles sampled in the Gulf of Mexico from the rarely observed dispersal stage across three species: green turtles (Chelonia mydas; n = 30), hawksbills (Eretmochelys imbricata; n = 3), and loggerheads (Caretta caretta; n = 2). We estimated green turtle rookery contributions using a many‐to‐many Bayesian mixed stock analysis that incorporated dispersal probabilities based on rookery size and transport via ocean currents. We assembled a gene tree including 709 distinct mtDNA control region haplotypes from the literature for all seven extant sea turtle species to assess gaps in life‐stage data across ocean basins, as well as contextualize the lineages we sampled from dispersing juveniles. Our results indicate a high likelihood that green turtles sampled in the Gulf of Mexico originated from rookeries along the coast of Mexico, with smaller contributions from Costa Rica and Suriname. The gene tree analysis yielded species‐level relationships consistent with those presented previously, while intra‐species relationships between lineages and ocean basins differed, particularly within loggerhead and green turtle clades. Our results highlight the lack of genetic data from juvenile sea turtles, especially the early dispersal stage, and the potential for these data to answer broader questions of connectivity and diversification across species and lineages.
Paternity sharing in insects with female competition for nuptial gifts
Authors: Browne Jessica H. , Gwynne Darryl T. 
Published: October 2022

AbstractMale parental investment is expected to be associated with high confidence of paternity. Studies of species with exclusive male parental care have provided support for this hypothesis because mating typically co‐occurs with each oviposition, allowing control over paternity and the allocation of care. However, in systems where males invest by feeding mates (typically arthropods), mating (and thus the investment) is separated from egg‐laying, resulting in less control over insemination, as male ejaculates compete with rival sperm stored by females, and a greater risk of investing in unrelated offspring (cuckoldry). As strong selection on males to increase paternity would compromise the fitness of all a female's other mates that make costly nutrient contributions, paternity sharing (males not excluded from siring offspring) is an expected outcome of sperm competition. Using wild‐caught females in an orthopteran and a dipteran species, in which sexually selected, ornamented females compete for male nuptial food gifts needed for successful reproduction, we examined paternity patterns and compared them with findings in other insects. We used microsatellite analysis of offspring (lifetime reproduction in the orthopteran) and stored sperm from wild‐caught females in both study species. As predicted, there was evidence of shared paternity as few males failed to sire offspring. Further support for paternity sharing is the lack of last‐male sperm precedence in our study species. Although paternity was not equal among sires, our estimates of paternity bias were similar to other insects with valuable nuptial gifts and contrasted with the finding that males are frequently excluded from siring offspring in species where males supply little more than sperm. This suggests paternity bias may be reduced in nuptial‐gift systems and may help facilitate the evolution of these paternal investments.