bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemically engineered essential oils prepared through thiocyanation under solvent-free conditions: chemical and bioactivity alteration
Authors: Lescano Liz E. , Salazar Mario O. , Furlan Ricardo L. E. 
Published: June 2024

AbstractThe generation of chemically engineered essential oils (CEEOs) prepared from bi-heteroatomic reactions using ammonium thiocyanate as a source of bioactive compounds is described. The impact of the reaction on the chemical composition of the mixtures was qualitatively demonstrated through GC–MS, utilizing univariate and multivariate analysis. The reaction transformed most of the components in the natural mixtures, thereby expanding the chemical diversity of the mixtures. Changes in inhibition properties between natural and CEEOs were demonstrated through acetylcholinesterase TLC autography, resulting in a threefold increase in the number of positive events due to the modification process. The chemically engineered Origanum vulgare L. essential oil was subjected to bioguided fractionation, leading to the discovery of four new active compounds with similar or higher potency than eserine against the enzyme. The results suggest that the directed chemical transformation of essential oils can be a valuable strategy for discovering new acetylcholinesterase (AChE) inhibitors.
Graphical Abstract
Graduate Teaching Assistants’ Perception of Student Difficulties and Use in Teaching
Authors: Park Jungeun , Rizzolo Douglas 
Published: June 2024

AbstractGiven the important role graduate teaching assistants (TAs) play in undergraduate students’ learning, we investigated what TAs identified as students’ difficulties from students’ written work, their plans to address them, and implementation of their plans in class. Since the difficulties that TAs identified in general matched errors that students made, we analyzed what TAs identified in terms of literature on error handling. We examined levels of specific details of students’ work involved in TAs’ identifying, planning, and teaching. Our results show that (a) TAs often did not identify the most frequent errors students made, which reflected well-documented difficulties from the literature, (b) the errors TAs identified were mainly procedural in nature, (c) specific details of students’ work were mainly included in procedural errors, and (d) the level of specificity of students’ work was generally consistent but showed some drops when going from identifying to planning, then to teaching. Our results highlight interesting questions for future research and could be used as resources to design professional development that helps TAs use students’ errors in teaching to promote students’ learning.
Macroscopic and mesoscopic mechanism of hydration instability of the rock-grout coupled structure
Authors: Rong Haoyu , Wang Wei , Li Guichen , Liang Dongxu , Xu Jiahui 
Published: June 2024

AbstractIn order to investigate the macroscopic and mesoscopic mechanism of hydration instability of rock-grout structure under the influence of moisture content, a direct shear test combined with particle flow code (PFC) simulation was conducted subject to various moisture content levels and normal stresses. The results show that a higher moisture content would compromise the load bearing capacity of soft rock anchorage structures by deteriorating the structural integrity of the surrounding rock and the bonding effect between the anchorage interfaces. The load bearing capacity of the surrounding rock is also rapidly reduced. The rock-grout structure has four main shear damage modes, which are influenced by both moisture content and normal stress. When the saturated moisture content is reached, the anchorage structure has lost its bearing capacity, and the rock is muddied and subsequently debonded from the bolt. The energy required to break the internal adhesion of the rock-grout structure under the effect of hydration is greatly reduced, resulting in easy decoupling and dispersion between the rock skeleton particles. In turn, the rock surface particles bonded by the anchor agent are separated from the deeper particles, resulting in the failure of the bonding surface and weakening the coupling effect between the anchor and the surrounding rock. According to the test results, the control measures for surrounding rock of muddy roadway are put forward.
Quantum optimization for training quantum neural networks
Authors: Liao Yidong , Hsieh Min-Hsiu , Ferrie Chris 
Published: June 2024

AbstractTraining quantum neural networks (QNNs) using gradient-based or gradient-free classical optimization approaches is severely impacted by the presence of barren plateaus in the cost landscapes. In this paper, we devise a framework for leveraging quantum optimization algorithms to find optimal parameters of QNNs for certain tasks. To cast the optimization problem of training QNN into the context of quantum optimization, the parameters in QNN are quantized—moved from being classical to being stored in quantum registers which are in addition to those upon which the QNN is performing its computation. We then coherently encode the cost function of QNNs onto relative phases of a superposition state in the Hilbert space of the QNN parameters. The parameters are tuned with an iterative quantum optimization structure using adaptively selected Hamiltonians. The quantum mechanism of this framework exploits hidden structure in the QNN optimization problem and hence is expected to provide beyond-Grover speed up, mitigating the barren plateau issue.
Calibration and context in human evaluation of machine translation
Authors: Knowles Rebecca , Lo Chi-kiu 
Published: June 2024

Abstract
Human evaluation of machine translation is considered the “gold standard” for evaluation, but it remains a challenging task for which to define best practices. Recent work has focused on incorporating intersentential context into human evaluation, to better distinguish between high-performing machine translation systems and human translations. In this work, we examine several ways that such context influences evaluation and evaluation protocols. We take a close look at annotator variation through the lens of calibration sets and focus on the implications for context-aware evaluation protocols. We then demonstrate one way in which degraded target-side intersentential context can influence annotator scores of individual sentences, a finding that supports the context-aware approach to evaluation and which also has implications for best practices in evaluation protocols.
Assessing the causal relationship of birth weight and childhood obesity on osteoarthritis: a Mendelian randomization study
Authors: Xin Zengfeng , Xu Lingxiao , Sun Lingling 
Published: June 2024

Abstract
Obesity is associated with osteoarthritis (OA), but few studies have used fetal origin to explore the association. Our study aims to disentangle the causality between birth weight, childhood obesity, and adult OA using Mendelian randomization (MR). We identified single nucleotide polymorphisms (SNPs) related to birth weight (n = 298,142) and childhood obesity (n = 24,160) from two genome-wide association studies contributed by the Early Growth Genetics Consortium. Summary statistics of OA and its phenotypes (knee, hip, spine, hand, thumb, and finger OA) from the Genetics of Osteoarthritis Consortium (n = 826,690) were used to estimate the effects of SNPs on OA. Multivariable MR (MVMR) was conducted to investigate the independent effects of exposures. It turned out that genetically predicted standard deviation increase in birth weight was not associated with OA. In contrast, there was a marginally positive effect of childhood obesity on total [odds ratio (OR) = 1.07, 95% confidence interval (CI) = 1.00, 1.15 using IVW], knee (OR = 1.13, 95% CI = 1.05, 1.22 using weighted median), hip (OR = 1.13, 95% CI = 1.04, 1.24 using IVW), and spine OA (OR = 1.12, 95% CI = 1.03, 1.22 using IVW), but not hand, thumb, or finger OA. MVMR indicated a potential adulthood body mass index-dependent causal pathway between childhood obesity and OA. In conclusion, no association of birth weight with OA was suggested. Childhood obesity, however, showed a causality with OA in weight-bearing joints, which seems to be a general association of obesity with OA.
Lightning NOx in the 29–30 May 2012 Deep Convective Clouds and Chemistry (DC3) Severe Storm and Its Downwind Chemical Consequences
Authors: Pickering Kenneth E. , Li Yunyao , Cummings Kristin A. , Barth Mary C. , Allen Dale J. , Bruning Eric C. , Pollack Ilana B. 
Published: June 2024

AbstractA cloud‐resolved storm and chemistry simulation of a severe convective system in Oklahoma constrained by anvil aircraft observations of NOx was used to estimate the mean production of NOx per flash in this storm. An upward ice flux scheme was used to parameterize flash rates in the model. Model lightning was also constrained by observed lightning flash types and the altitude distribution of flash channel segments. The best estimate of mean NOx production by lightning in this storm was 80–110 mol per flash, which is smaller than many other literature estimates. This result is likely due to the storm having been a high flash rate event in which flash extents were relatively small. Over the evolution of this storm a moderate negative correlation was found between the total flash rate and flash extent and energy per flash. A longer‐term simulation at 36‐km horizontal resolution with parameterized convection was used to simulate the downwind transport and chemistry of the anvil outflow from the same storm. Convective transport of low‐ozone air from the boundary layer decreased ozone in the anvil outflow by up to 20–40 ppbv compared with the initial conditions, which contained stratospheric influence. Photochemical ozone production in the lightning‐NOx enhanced convective plume proceeded at a rate of 10–11 ppbv per day in the 9–11 km outflow layer over the 24‐hr period of downwind transport to the Southern Appalachians. Photochemical production plays a large role in the restoration of upper tropospheric ozone following deep convection.
Isotope Hydrograph Separation Reveals Rainfall on the Glaciers Will Enhance Ice Meltwater Discharge to the Himalayan Rivers
Authors: Roy Nita , Sen Indra S. , Boral Soumita , Shukla Tanuj , Velu Vinoj 
Published: June 2024

AbstractThe Indian Summer Monsoon (ISM) and meltwater from the Himalayan are the two most important sources of water in the Indian subcontinent. However, the impact of ISM on Himalayan glaciers and subsequent stream hydrology remains largely unknown. To provide new insight into the impact of rainfall on glacial hydrology, here we present hydro‐meteorological and time‐series observations of meltwater stable water isotope compositions from the snout of the Chorabari glacier in the Upper Ganga Basin, Central Himalayas across the ablation season corresponding to 2019. We observe that rainfall events (>2 mm d−1) on the glacier enhance discharge driven by ice meltwater in River Mandakini. Energy balance calculations reveal that one of the drivers behind enhanced ice meltwater contribution could be rain‐induced melting of the glacier where rainfall on the ice surface melts the glacier producing up to 13% of the total discharge at the glacier snout. Further, rainfall on glacier surface have other control on glacial processes—for example, snow metamorphism, ice flow dynamics such as short‐term acceleration in ice speed flow, and reorganization of the englacial and subglacial drainage network—that are poorly studied and needs further investigation. We conclude rainfall events on the glacier have a complex control on mountain hydrology. This study, therefore, provides an interpretative framework that calls for additional assessments of the direct and indirect impact of rainfall in glacial hydrology.
Effectiveness of date seed on glycemia and advanced glycation end-products in type 2 diabetes: a randomized placebo-controlled trial
Authors: Mohamadizadeh Mehdi , Dehghan Parvin , Azizi-Soleiman Fatemeh , Maleki Parham 
Published: June 2024

Abstract
Background
Type 2 diabetes mellitus (T2DM) is a chronic medical condition affecting more than 95% of people with diabetes. Traditionally, some medicinal plants have been considered as an effective approach in management of T2DM. This trial evaluated the effects of date seed powder (DSP) on glycemia indices and oxidative stress in T2DM patients.

Methods
In this trail, 43 patients with T2DM were randomized to two groups: either 5 g/d of the DSP or placebo for 8 weeks. Levels of glycemic indices, lipolpolysaccharide (LPS), and soluble receptor for advanced glycation end products (s-RAGE), as well as other parameters associated with oxidative stress were assessed at baseline and after 8 weeks. Independent t-test and analysis of covariance (ANCOVA) were used for between-groups comparisons at baseline and the post-intervention phase, respectively.

Results
The results showed that supplementation with DSP significantly decreased HbA1c (−0.30 ± 0.48%), insulin (−1.70 ± 2.21 μU/ml), HOMA-IR (−1.05 ± 0.21), HOMA-B (−0.76 ± 21.21), lipopolysaccharide (LPS) (−3.68 ± 6.05 EU/mL), and pentosidine (118.99 ± 21.67 pg/mL) (P < 0.05, ANCOVA adjusted for baseline and confounding factors). On the other hand, DSP supplementation significantly increased total antioxidant capacity (TAC) (0.50 ± 0.26 mmol/L), superoxide dismutase (SOD) (0.69 ± 0.32 U/ml), and s-RAGE (240.13 ± 54.25 pg/mL) compared to the placebo group. FPG, hs-CRP, GPx, CML, and uric acid had no significant within- or between-group changes.

Conclusion
Supplementation of DSP could be considered an effective strategy to improve glycemic control and oxidative stress in T2DM patients (Registration ID at www.irct.ir: IRCT20150205020965N10).
Regulation of cardiac ferroptosis in diabetic human heart failure: uncovering molecular pathways and key targets
Authors: Gawargi Flobater I. , Mishra Paras K. 
Published: June 2024

AbstractDiabetes significantly increases the risk of heart failure by inducing myocardial cell death, potentially through ferroptosis—an iron-dependent, non-apoptotic cell death pathway characterized by lipid peroxidation. The role of cardiac ferroptosis in human heart failure, however, remains poorly understood. In this study, we compared cardiac ferroptosis in humans with diabetic heart failure to that in healthy controls. Our findings reveal that diabetes not only intensifies myocardial cell death but also upregulates markers of ferroptosis in human hearts. This is linked to decreased transcription and activity of glutathione peroxidase-4 (GPX4), influenced by reduced levels of activating transcription factor-4 (ATF4) and nuclear factor erythroid-2-related factor-2 (NRF2), and downregulation of glutathione reductase (GSR). Additionally, diabetic hearts showed an increased labile iron pool due to enhanced heme metabolism by heme oxygenase-1 (HMOX1), elevated iron import via divalent metal transporter-1 (DMT1), reduced iron storage through ferritin light chain (FLC), and decreased iron export via ferroportin-1 (FPN1). The reduction in FPN1 levels likely results from decreased stabilization by amyloid precursor protein (APP) and diminished NRF2-mediated transcription. Furthermore, diabetes upregulates lysophosphatidylcholine acyltransferase-3 (LPCAT3), facilitating the integration of polyunsaturated fatty acids (PUFA) into phospholipid membranes, and downregulates acyl-CoA thioesterase-1 (ACOT1), which further promotes ferroptosis. LC–MS/MS analysis identified several novel proteins implicated in diabetes-induced cardiac ferroptosis, including upregulated ceruloplasmin, which enhances iron metabolism, and cytochrome b-245 heavy chain (CYBB), a key component of NADPH oxidase that aids in the production of reactive oxygen species (ROS), along with downregulated voltage-dependent anion-selective channel protein-2 (VDAC2), essential for maintaining mitochondrial membrane potential. In conclusion, our study not only confirms the presence and potentially predominant role of cardiac ferroptosis in humans with diabetic heart failure but also elucidates its molecular mechanisms, offering potential therapeutic targets to mitigate heart failure complications in diabetic patients.
STAC3 disorder: a common cause of congenital hypotonia in Southern African patients
Authors: Essop Fahmida , Dillon Bronwyn , Mhlongo Felicity , Bhengu Louisa , Naicker Thirona , Lambie Lindsay , Smit Liani , Fieggen Karen , Lochan Anneline , Dawson Jessica , Mpangase Phelelani , Hauptfleisch Marc , Scher Gail , Tabane Odirile , Immelman Marelize , Urban Michael , Krause Amanda 
Published: June 2024

AbstractSTAC3 disorder, or Native American myopathy, is characterised by congenital myopathy, hypotonia, musculoskeletal and palatal anomalies, and susceptibility to malignant hyperthermia. A STAC3 c.851 G > C (p.Trp284Ser) pathogenic variant, common in the Lumbee Native American tribe, has been identified in other populations worldwide, including patients of African ancestry. We report on the frequency of STAC3 c.851 G > C in a cohort of 127 patients presenting with congenital hypotonia that tested negative for spinal muscular atrophy and/or Prader-Willi syndrome. We present a clinical retrospective, descriptive review on 31 Southern African patients homozygous for STAC3 c.851 G > C. The frequencies of various phenotypic characteristics were calculated. In total, 25/127 (20%) laboratory-based samples were homozygous for STAC3 c.851 G > C. A carrier rate of 1/56 and a predicted birth rate of 1/12 500 was estimated from a healthy cohort. A common haplotype spanning STAC3 was identified in four patients. Of the clinical group, 93% had a palatal abnormality, 52% a spinal anomaly, 59% had talipes equinovarus deformity/deformities, 38% had arthrogryposis multiplex congenita, and 22% had a history suggestive of malignant hyperthermia. The novel finding that STAC3 disorder is a common African myopathy has important clinical implications for the diagnosis, treatment and genetic counselling of individuals, with neonatal and/or childhood hypotonia with or without arthrogryposis multiplex congenita, and their families. The spread of this variant worldwide and the allele frequency higher in the African/African-American ancestry than the Admixed Americans, strongly indicates that the STAC3 c.851 G > C variant has an African origin which may be due to an ancient mutation with migration and population bottlenecks.
Peripheral apoptosis and limited clonal deletion during physiologic murine B lymphocyte development
Authors: Simpson Mikala JoAnn , Newen Anna Minh , McNees Christopher , Sharma Sukriti , Pfannenstiel Dylan , Moyer Thomas , Stephany David , Douagi Iyadh , Wang Qiao , Mayer Christian Thomas 
Published: June 2024

AbstractSelf-reactive and polyreactive B cells generated during B cell development are silenced by either apoptosis, clonal deletion, receptor editing or anergy to avoid autoimmunity. The specific contribution of apoptosis to normal B cell development and self-tolerance is incompletely understood. Here, we quantify self-reactivity, polyreactivity and apoptosis during physiologic B lymphocyte development. Self-reactivity and polyreactivity are most abundant in early immature B cells and diminish significantly during maturation within the bone marrow. Minimal apoptosis still occurs at this site, however B cell receptors cloned from apoptotic B cells show comparable self-reactivity to that of viable cells. Apoptosis increases dramatically only following immature B cells leaving the bone marrow sinusoids, but above 90% of cloned apoptotic transitional B cells are not self-reactive/polyreactive. Our data suggests that an apoptosis-independent mechanism, such as receptor editing, removes most self-reactive B cells in the bone marrow. Mechanistically, lack of survival signaling rather than clonal deletion appears to be the underpinning cause of apoptosis in most transitional B cells in the periphery.
A persistent variant telomere sequence in a human pedigree
Authors: Hinchie Angela M. , Sanford Samantha L. , Loughridge Kelly E. , Sutton Rachel M. , Parikh Anishka H. , Gil Silva Agustin A. , Sullivan Daniel I. , Chun-On Pattra , Morrell Matthew R. , McDyer John F. , Opresko Patricia L. , Alder Jonathan K. 
Published: June 2024

AbstractThe telomere sequence, TTAGGG, is conserved across all vertebrates and plays an essential role in suppressing the DNA damage response by binding a set of proteins termed shelterin. Changes in the telomere sequence impair shelterin binding, initiate a DNA damage response, and are toxic to cells. Here we identify a family with a variant in the telomere template sequence of telomerase, the enzyme responsible for telomere elongation, that led to a non-canonical telomere sequence. The variant is inherited across at least one generation and one family member reports no significant medical concerns despite ~9% of their telomeres converting to the novel sequence. The variant template disrupts telomerase repeat addition processivity and decreased the binding of the telomere-binding protein POT1. Despite these disruptions, the sequence is readily incorporated into cellular chromosomes. Incorporation of a variant sequence prevents POT1-mediated inhibition of telomerase suggesting that incorporation of a variant sequence may influence telomere addition. These findings demonstrate that telomeres can tolerate substantial degeneracy while remaining functional and provide insights as to how incorporation of a non-canonical telomere sequence might alter telomere length dynamics.
A dual spin-controlled chiral two-/three-dimensional perovskite artificial leaf for efficient overall photoelectrochemical water splitting
Authors: Lee Hyungsoo , Lee Chan Uk , Yun Juwon , Jeong Chang-Seop , Jeong Wooyong , Son Jaehyun , Park Young Sun , Moon Subin , Lee Soobin , Kim Jun Hwan , Moon Jooho 
Published: June 2024

AbstractThe oxygen evolution reaction, which involves high overpotential and slow charge-transport kinetics, plays a critical role in determining the efficiency of solar-driven water splitting. The chiral-induced spin selectivity phenomenon has been utilized to reduce by-product production and hinder charge recombination. To fully exploit the spin polarization effect, we herein propose a dual spin-controlled perovskite photoelectrode. The three-dimensional (3D) perovskite serves as a light absorber while the two-dimensional (2D) chiral perovskite functions as a spin polarizer to align the spin states of charge carriers. Compared to other investigated chiral organic cations, R-/S-naphthyl ethylamine enable strong spin-orbital coupling due to strengthened π–π stacking interactions. The resulting naphthyl ethylamine-based chiral 2D/3D perovskite photoelectrodes achieved a high spin polarizability of 75%. Moreover, spin relaxation was prevented by employing a chiral spin-selective L-NiFeOOH catalyst, which enables the secondary spin alignment to promote the generation of triplet oxygen. This dual spin-controlled 2D/3D perovskite photoanode achieves a 13.17% of applied-bias photon-to-current efficiency. Here, after connecting the perovskite photocathode with L-NiFeOOH/S-naphthyl ethylamine 2D/3D photoanode in series, the resulting co-planar water-splitting device exhibited a solar-to-hydrogen efficiency of 12.55%.