bluuebunny/crossref_metadata_2025_split huggingface dataset:
Random walk diffusion simulations in semi-permeable layered media with varying diffusivity
Authors: Alemany Ignasi , Rose Jan N. , Garnier-Brun Jérôme , Scott Andrew D. , Doorly Denis J. 
Published: June 2022

AbstractIn this paper we present random walk based solutions to diffusion in semi-permeable layered media with varying diffusivity. We propose a novel transit model for solving the interaction of random walkers with a membrane. This hybrid model is based on treating the membrane permeability and the step change in diffusion coefficient as two interactions separated by an infinitesimally small layer. By conducting an extensive analytical flux analysis, the performance of our hybrid model is compared with a commonly used membrane transit model (reference model). Numerical simulations demonstrate the limitations of the reference model in dealing with step changes in diffusivity and show the capability of the hybrid model to overcome this limitation and to offer substantial gains in computational efficiency. The suitability of both random walk transit models for the application to simulations of diffusion tensor cardiovascular magnetic resonance (DT-CMR) imaging is assessed in a histology-based domain relevant to DT-CMR. In order to demonstrate the usefulness of the new hybrid model for other possible applications, we also consider a larger range of permeabilities beyond those commonly found in biological tissues.
LXR agonist modifies neuronal lipid homeostasis and decreases PGD2 in the dorsal root ganglia in western diet-fed mice
Authors: Elshareif Nadia , Gavini Chaitanya K. , Mansuy-Aubert Virginie 
Published: June 2022

AbstractThe prevalence of peripheral neuropathy is high in diabetic and overweight populations. Chronic neuropathic pain, a symptom of peripheral neuropathy, is a major disabling symptom that leads to a poor quality of life. Glucose management for diabetic and prediabetic individuals often fail to reduce or improve pain symptoms, therefore, exploring other mechanisms is necessary to identify effective treatments. A large body of evidence suggest that lipid signaling may be a viable target for management of peripheral neuropathy in obese individuals. The nuclear transcription factors, Liver X Receptors (LXR), are known regulators of lipid homeostasis, phospholipid remodeling, and inflammation. Notably, the activation of LXR using the synthetic agonist GW3965, delayed western diet (WD)-induced allodynia in rodents. To further understand the neurobiology underlying the effect of LXR, we used translating ribosome affinity purification and evaluated translatomic changes in the sensory neurons of WD-fed mice treated with the LXR agonist GW3965. We also observed that GW3965 decreased prostaglandin levels and decreased free fatty acid content, while increasing lysophosphatidylcholine, phosphatidylcholine, and cholesterol ester species in the sensory neurons of the dorsal root ganglia (DRG). These data suggest novel downstream interplaying mechanisms that modifies DRG neuronal lipid following GW3965 treatment.
Mechanistic insights into photochromic 3H-naphthopyran showing strong photocoloration
Authors: Gierczyk Błażej , Rode Michał F. , Burdzinski Gotard 
Published: June 2022

Abstract3,3-Diphenylbenzo[f]chromene (1) represents an important architectural platform for photochromic systems. Since the practical utility of such chromophores is largely dependent upon the kinetics of coloration and decoloration, elucidating the mechanistic details of these processes is of great value. Toward this end, we studied the photochromic reaction of (3-(2-methoxyphenyl)-3-phenyl-3H-benzo[f]chromene (2) by both time-resolved UV–vis and mid-IR spectroscopies. We found that irradiation of 2 at 365 nm generates long-lived colored transoid-cis isomers with lifetimes of 17.1 s and 17.5 min (at 21 °C) and even longer-lived transoid-trans isomers with a lifetime of 16 h. These experimental results were supplemented with ab initio ground-state and excited-state calculations, and the resulting theoretical interpretation may be useful for the design of new photochromic systems with optimized photofunctionality.
Critical contributions of pre-S1 shoulder and distal TRP box in DAG-activated TRPC6 channel by PIP2 regulation
Authors: Mori Masayuki X. , Okada Ryo , Sakaguchi Reiko , Hase Hideharu , Imai Yuko , Polat Onur K. , Itoh Satoru G. , Okumura Hisashi , Mori Yasuo , Okamura Yasushi , Inoue Ryuji 
Published: June 2022

AbstractPhosphatidylinositol 4,5-bisphosphate (PI(4,5)P2 or PIP2) regulates the activities of numerous membrane proteins, including diacylglycerol(DAG)-activated TRPC3/6/7 channels. Although PIP2 binding is known to support DAG-activated TRP channel activity, its binding site remains unknown. We screened for PIP2 binding sites within TRPC6 channels through extensive mutagenesis. Using voltage-sensitive phosphatase (DrVSP), we found that Arg437 and Lys442, located in the channel’s pre-S1 domain/shoulder, are crucial for interaction with PIP2. To gain structural insights, we conducted computer protein–ligand docking simulations with the pre-S1 domain/shoulder of TRPC6 channels. Further, the functional significance of PIP2 binding to the pre-S1 shoulder was assessed for receptor-operated channel functions, cross-reactivity to DAG activation, and the kinetic model simulation. These results revealed that basic residues in the pre-S1 domain/shoulder play a central role in the regulation of PIP2-dependent gating. In addition, neutralizing mutation of K771 in the distal TRP box reversed the effect of PIP2 depletion from inhibiting to potentiating channel activity. A similar effect was seen in TRPV1 channels, which suggests that TRPC6 possesses a common but robust polarity switch mediating the PIP2-dependent effect. Overall, these mutagenesis studies reveal functional and structural insights for how basic residues and channel segments in TRP channels are controlled through phosphoinositides recognition.
Porous defective carbon ferrite for adsorption and photocatalysis toward nitrogen compounds in pre-treated biogas slurry
Authors: Li Jie 
Published: June 2022

AbstractCarbon ferrite (C-Fe3O4) with hydrophilic functional groups and lattice defects was synthesized in anhydrous molten alkali system by fern leaves and ferric chloride as raw materials. Structural characterization results showed that carbon ferrite obtained oxygen-containing groups on the carbon surface. And structural pores and lattice defects resulted from spontaneous accumulation and “directive-connection” of ferrite (Fe3O4) nanoparticles. Carbon ferrite displayed an adsorption efficiency of 29.0% and excellent photocatalytic degradation of 80.8% toward nitrogen compounds (initial concentration of 430 mg/L) in pre-treated biogas slurry. The micromechanism for nitrogen compounds removal was discussed at the molecular/atomic level by exploring carbon ferrite “structure-activity”, which provides a design idea from microscopic perspective for the preparation of environmental materials with reactive sites.
Integrating variant functional annotation scores have varied abilities to improve power of genome-wide association studies
Authors: Gao Jianhui , Espin-Garcia Osvaldo , Paterson Andrew D. , Sun Lei 
Published: June 2022

AbstractFunctional annotations have the potential to increase power of genome-wide association studies (GWAS) by prioritizing variants according to their biological function, but this potential has not been well studied. We comprehensively evaluated all 1132 traits in the UK Biobank whose SNP-heritability estimates were given “medium” or “high” labels by Neale’s lab. For each trait, we integrated GWAS summary statistics of close to 8 million common variants (minor allele frequency$$>1\%$$>1%) with either their 75 individual functional scores or their meta-scores, using three different data-integration methods. Overall, the number of new genome-wide significant findings after data-integration increases as a trait SNP-heritability estimate increases. However, there is a trade-off between new findings and loss of baseline GWAS findings, resulting in similar total numbers of significant findings between using GWAS alone and integrating GWAS with functional scores, across all 1132 traits analyzed and all three data-integration methods considered. Our findings suggest that, even with the current biobank-level sample size, more informative functional scores and/or new data-integration methods are needed to further improve the power of GWAS of common variants. For example, studying variants in coding sequence and obtaining cell-type-specific scores are potential future directions.
Seasonal variations in the occurrence of preeclampsia and potential implication of upper respiratory infections in South Korea
Authors: Kim Eui Hyeok , Lee Sang Ah , Min Seunggi , Jung Yong Wook 
Published: June 2022

AbstractThe aim of this study was to examine the effect of seasonal changes on the incidence of preeclampsia (PE) in South Korea and East Asian populations, and to evaluate the relationship between upper respiratory infection (URI) during pregnancy and the development of PE. This cohort study included women who had singleton births between 2012 and 2018 in South Korea. A total of 548,080 first singleton births were analyzed, and 9311 patients (1.70%) were diagnosed with PE. Multivariate analysis showed that older age (≥ 30 years old), low income, residing in the southern part of South Korea, history of cigarette smoking, heavy drinking, higher body mass index, hypertension, or diabetes mellitus were risk factors for PE. Univariate analysis showed that URI was associated with the incidence of PE (P = 0.0294). However, this association was not statistically significant in the multivariate analysis (aOR 1.01; 95% CI 0.95–1.07). After adjusting for confounding variables, the occurrence of PE was the highest in December (aOR 1.21; 95% CI 1.10–1.34) and lowest in July and August. This study demonstrated that there are seasonal variations in the occurrence of PE in South Korea. Moreover, URI may be associated with the development of PE.
Acceleration and deceleration of quantum dynamics based on inter-trajectory travel with fast-forward scaling theory
Authors: Masuda Shumpei , Koenig Jacob , Steele Gary A. 
Published: June 2022

AbstractQuantum information processing requires fast manipulations of quantum systems in order to overcome dissipative effects. We propose a method to accelerate quantum dynamics and obtain a target state in a shorter time relative to unmodified dynamics, and apply the theory to a system consisting of two linearly coupled qubits. We extend the technique to accelerate quantum adiabatic evolution in order to rapidly generate a desired target state, thereby realizing a shortcut to adiabaticity. Further, we address experimental limitations to the rate of change of control parameters for quantum devices which often limit one’s ability to generate a desired target state with high fidelity. We show that an initial state following decelerated dynamics can reach a target state while varying control parameters more slowly, enabling more experimentally feasible driving schemes.
Unusual free oligosaccharides in human bovine and caprine milk
Authors: Weng Wei-Chien , Liao Hung-En , Huang Shih-Pei , Tsai Shang-Ting , Hsu Hsu-Chen , Liew Chia Yen , Gannedi Veeranjaneyulu , Hung Shang-Cheng , Ni Chi-Kung 
Published: June 2022

AbstractFree oligosaccharides are abundant macronutrients in milk and involved in prebiotic functions and antiadhesive binding of viruses and pathogenic bacteria to colonocytes. Despite the importance of these oligosaccharides, structural determination of oligosaccharides is challenging, and milk oligosaccharide biosynthetic pathways remain unclear. Oligosaccharide structures are conventionally determined using a combination of chemical reactions, exoglycosidase digestion, nuclear magnetic resonance spectroscopy, and mass spectrometry. Most reported free oligosaccharides are highly abundant and have lactose at the reducing end, and current oligosaccharide biosynthetic pathways in human milk are proposed based on these oligosaccharides. In this study, a new mass spectrometry technique, which can identify linkages, anomericities, and stereoisomers, was applied to determine the structures of free oligosaccharides in human, bovine, and caprine milk. Oligosaccharides that do not follow the current biosynthetic pathways and are not synthesized by any discovered enzymes were found, indicating the existence of undiscovered biosynthetic pathways and enzymes.
Deficiency of exopolysaccharides and O-antigen makes Halomonas bluephagenesis self-flocculating and amenable to electrotransformation
Authors: Xu Tong , Chen Junyu , Mitra Ruchira , Lin Lin , Xie Zhengwei , Chen Guo-Qiang , Xiang Hua , Han Jing 
Published: June 2022

AbstractHalomonas bluephagenesis, a haloalkaliphilic bacterium and native polyhydroxybutyrate (PHB) producer, is a non-traditional bioproduction chassis for the next generation industrial biotechnology (NGIB). A single-sgRNA CRISPR/Cas9 genome editing tool is optimized using dual-sgRNA strategy to delete large DNA genomic fragments (>50 kb) with efficiency of 12.5% forH. bluephagenesis. The non-essential or redundant gene clusters ofH. bluephagenesis, including those encoding flagella, exopolysaccharides (EPSs) and O-antigen, are sequentially deleted using this improved genome editing strategy. Totally, ~3% of the genome is reduced with its rapid growth and high PHB-production ability unaffected. The deletion of EPSs and O-antigen gene clusters shows two excellent properties from industrial perspective. Firstly, the EPSs and O-antigen deleted mutant rapidly self-flocculates and precipitates within 20 min without centrifugation. Secondly, DNA transformation into the mutant using electroporation becomes feasible compared to the wild-typeH. bluephagenesis. The genome-reducedH. bluephagenesismutant reduces energy and carbon source requirement to synthesize PHB comparable to its wild type. TheH. bluephagenesischassis with a reduced genome serves as an improved version of a NGIB chassis for productions of polyhydroxyalkanoates (PHA) or other chemicals.
The influence of HLA genotype on the development of metal hypersensitivity following joint replacement
Authors: Langton David J. , Bhalekar Rohan M. , Joyce Thomas J. , Rushton Stephen P. , Wainwright Benjamin J. , Nargol Matthew E. , Shyam Nish , Lie Benedicte A. , Pabbruwe Moreica B. , Stewart Alan J. , Waller Susan , Natu Shonali , Ren Renee , Hornick Rachelle , Darlay Rebecca , Su Edwin P. , Nargol Antoni V. F. 
Published: June 2022

Abstract
Background
Over five million joint replacements are performed across the world each year. Cobalt chrome (CoCr) components are used in most of these procedures. Some patients develop delayed-type hypersensitivity (DTH) responses to CoCr implants, resulting in tissue damage and revision surgery. DTH is unpredictable and genetic links have yet to be definitively established.

Methods
At a single site, we carried out an initial investigation to identify HLA alleles associated with development of DTH following metal-on-metal hip arthroplasty. We then recruited patients from other centres to train and validate an algorithm incorporating patient age, gender, HLA genotype, and blood metal concentrations to predict the development of DTH. Accuracy of the modelling was assessed using performance metrics including time-dependent receiver operator curves.

Results
Using next-generation sequencing, here we determine the HLA genotypes of 606 patients. 176 of these patients had experienced failure of their prostheses; the remaining 430 remain asymptomatic at a mean follow up of twelve years. We demonstrate that the development of DTH is associated with patient age, gender, the magnitude of metal exposure, and the presence of certain HLA class II alleles. We show that the predictive algorithm developed from this investigation performs to an accuracy suitable for clinical use, with weighted mean survival probability errors of 1.8% and 3.1% for pre-operative and post-operative models respectively.

Conclusions
The development of DTH following joint replacement appears to be determined by the interaction between implant wear and a patient’s genotype. The algorithm described in this paper may improve implant selection and help direct patient surveillance following surgery. Further consideration should be given towards understanding patient-specific responses to different biomaterials.
Students' Reflections During Training Workshops on Communication and Information Exchange in Audiology Consultations: An Exploratory Qualitative Study
Authors: Watermeyer Jennifer , Kanji Amisha 
Published: June 2022

Purpose:
This clinical focus article outlines various communication challenges and scenarios related to information giving encountered by a group of audiology students, as reflected on during a series of communication skills workshops.

Method:
We held two online training workshops during which students reflected on their clinical communication experiences and asked questions related to clinical scenarios. Third-year audiology students from a South African university participated in the workshops (17 in the first, 15 in the second). We analyzed these reflections using thematic analysis.

Results:
Students' reflections related to four themes: (a) balancing information giving, (b) managing shared decision making, (c) managing linguistic differences, and (d) relating bad news. The first theme was heavily prioritized in students' reflections. Providing students with time to practice skills introduced in the initial communication skills workshop enabled further reflection in the subsequent workshop. We discuss these themes using specific examples raised by students.

Conclusions:
Our findings suggest that students first need to master basic information giving skills before they can move on to more advanced skills such as managing shared decision making, linguistic differences, and relating bad news. This study confirms that reflective skills need to be developed with students in an explicit manner, rather than as part of a hidden curriculum. Our approach to providing communication training and encouraging reflection on clinical experiences offers a starting point for clinical educators to support students in developing these skills.
Applying project‐based learning in artificial intelligence and marine discipline: An evaluation study on a robotic sailboat platform
Authors: Lin Xiongwei , Liu Hengli , Sun Qinbo , Li Xiuhan , Qian Huihuan , Sun Zhenglong , Lam Tin Lun 
Published: June 2022

AbstractArtificial intelligence is penetrating various fields. The demand for interdisciplinary talent is increasingly important, while interdisciplinary educational activities for high school students are lagging behind. Project‐based learning (PBL) in artificial intelligence (AI) and robotic education activities supported by a robotic sailboat platform, the sailboat test arena (STAr), has been shown to popularise AI and robotic knowledge in young students. In the implementation of the programme, PBL was provided for students, and gamification pedagogy was applied to increase participants' learning motivation and engagement. The results show that the proposed STAr‐based programme is capable of delivering the desired knowledge and skills to students at high school levels. The assessment results suggest that most students achieve learning outcomes on average. Students showed more interest in AI and marine disciplines and were willing to participate in more such educational programs. The findings fill the research gap that few existing education platforms have facilitated the teaching and learning of AI and marine disciplines for high school students.
Evaluation of lower extremity gait analysis using Kinect V2® tracking system
Authors: Usami Takuya , Nishida Kazuki , Iguchi Hirotaka , Okumura Taro , Sakai Hiroaki , Ida Ruido , Horiba Mitsuya , Kashima Shuuto , Sahashi Kento , Asai Hayato , Nagaya Yuko , Murakami Hideki , Ueki Yoshino , Kuroyanagi Gen 
Published: June 2022

Introduction: Microsoft Kinect V2® (Kinect) is a peripheral device of Xbox® and acquires information such as depth, posture, and skeleton definition. In this study, we investigated whether Kinect can be used for human gait analysis. Methods: Ten healthy volunteers walked 20 trials, and each walk was recorded by a Kinect and infrared- and marker-based-motion capture system. Pearson’s correlation and overall agreement with a method of meta-analysis of Pearson’s correlation coefficient were used to assess the reliability of each parameter, including gait velocity, gait cycle time, step length, hip and knee joint angle, ground contact time of foot, and max ankle velocity. Hip and knee angles in one gait cycle were calculated in Kinect and motion capture groups. Results: The coefficients of correlation for gait velocity (r = 0.92), step length (r = 0.81) were regarded as strong reliability. Gait cycle time (r = 0.65), minimum flexion angle of hip joint (r = 0.68) were regarded as moderate reliability. The maximum flexion angle of the hip joint (r = 0.43) and maximum flexion angle of the knee joint (r = 0.54) were regarded as fair reliability. Minimum flexion angle of knee joint (r = 0.23), ground contact time of foot (r = 0.23), and maximum ankle velocity (r = 0.22) were regarded as poor reliability. The method of meta-analysis revealed that participants with small hip and knee flexion angles tended to have poor correlations in maximum flexion angle of hip and knee joints. Similar trajectories of hip and knee angles were observed in Kinect and motion capture groups. Conclusions: Our results strongly suggest that Kinect could be a reliable device for evaluating gait parameters, including gait velocity, gait cycle time, step length, minimum flexion angle of the hip joint, and maximum flexion angle of the knee joint.
A Trial of Labor after Cesarean Section with a Macrosomic Neonate. Is It Safe?
Authors: Lopian Miriam , Kashani-Ligumski Lior , Cohen Ronnie , Herzlich Jacky , Perlman Sharon 
Published: June 2022

Objective This study aimed to determine whether a trial of labor after cesarean section (TOLAC) with a macrosomic neonate is associated with adverse outcomes.
Study Design A retrospective cohort study was conducted in a population motivated for TOLAC. Women attempting TOLAC with a neonatal birth weight >4,000 g were compared with women attempting TOLAC with neonatal birth weights between 3,500 and 4,000 g. The primary outcome was TOLAC success. Secondary outcomes included mode of delivery, uterine rupture, postpartum hemorrhage (PPH), shoulder dystocia, obstetric anal sphincter injury (OASI), Apgar's score <7 at 5 minutes, and umbilical artery pH <7.1. Data were analyzed using Fisher's exact test and Chi‐square test.
Results Overall, 375 women who underwent TOLAC with a neonate weighing >4,000 g comprised the study group. One thousand seven hundred and eighty-three women attempting TOLAC with a neonate weighing 3,500 to 4,000 g comprised the control group. There were no clinically significant differences between the groups for maternal age, gestational age, parity, and vaginal birth after cesarean (VBAC) rate. There were no significant differences in the rates of successful TOLAC (94 vs. 92.3%, p = 0.2, odds ratio [OR] = 0.8, 95% confidence interval [CI]: 0.5, 1.2), operative vaginal delivery (7.4 vs. 5.3%, p = 0.18, OR = 0.7, 95% CI: 0.4, 1.1), uterine rupture (0.4 vs. 0%, p = 0.6), PPH (3.2 vs. 2.3%, p = 0.36, OR = 1.4, 95% CI: 0.7, 2.7), OASI (0.8 vs. 0.2%, p = 0.1, OR = 3.6, 95% CI: 0.8, 1.6), Apgar's score <7 at 5 minutes (0 vs. 0.4%, p = 0.37), and umbilical artery pH <7.1 (0.5 vs. 0.7%, p = 1.0, OR = 0.73, 95% CI: 0.2, 3.2). Women with a neonate weighing >4,000 g had a significantly increased risk of shoulder dystocia (4 vs. 0.4%, p < 0.05, OR = 9.2 95% CI: 3.9, 22)
Conclusion Women attempting TOLAC with a macrosomic neonate are not at increased risk for failed TOLAC, operative vaginal delivery, uterine rupture, PPH, or OASI but are at risk of shoulder dystocia. This information may aid in prenatal counseling for women considering TOLAC with a macrosomic fetus.
Key Points