bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular dynamics modelling of Na-montmorillonite subjected to uniaxial compression and unidirectional shearing
Authors: Yuan Ran , Wang Wen-Ming , He Yi , Fang Yong , Huang Xi-Long 
Published: January 2023

AbstractThis paper presents systematic molecular dynamics modelling of Na-montmorillonite subjected to uniaxial compression and unidirectional shearing. An initial 3D model of a single-cell Na-montmorillonite structure is established using the Build Crystal module. The space group is C2/m, and COMPASS force fields are applied. Hydration analysis of Na-montmorillonite has been performed to validate the simulation procedures, where the number of absorbed water molecules varied with respect to the various lattice parameters. A series of uniaxial compression stress σzz and unidirectional shear stress τxy values are applied to the Na-montmorillonite structure. It is shown that the lattice parameter and hydration degree exhibit significant influence on the stress–strain relationship of Na-montmorillonite. The ultimate strain increases with increases in the lattice parameter but decreases in the number of water molecules. For saturated Na-montmorillonite, more water molecules result in a stiffer clay mineral under uniaxial compression and unidirectional shearing.
Silesiaite, ideally Ca2Fe3+Sn(Si2O7)(Si2O6OH), a new species in the kristiansenite group: crystal chemistry and structure of holotype silesiaite from Szklarska Poręba, Poland, and Sc-free silesiaite from Häiviäntien, Finland
Authors: Pieczka Adam , Zelek-Pogudz Sylwia , Gołębiowska Bożena , Stadnicka Katarzyna M. , Kristiansen Roy 
Published: January 2023

AbstractTwo silesiaite crystals, one from Szklarska Poręba, Poland (type locality), and the other from Häiviäntien, Finland, were studied with electron-probe microanalysis, Raman spectroscopy and single-crystal X-ray diffraction. The crystals have the following compositions normalised to 13 O2– + 1 (OH)– anions: Ca2.001(2)[(Sn1.105(6)Zr0.009(1))Σ1.114(Fe3+0.523(78)Sc0.185(62)Al0.070(14))Σ0.779(Fe2+0.065(12)Mn2+0.041(5)Mg0.003(3))Σ0.110]Σ2.003(Si3.997(2)O13OH), and Ca2.006(8)[(Sn1.110(18)Ti0.006(3))Σ1.107(Fe3+0.648(50)Al0.063(11))Σ0.710(Fe2+0.140(30)Mn2+0.011(3)Mg0.005(2))Σ0.155(Nb0.020(6)Ta0.011(3))Σ0.040]Σ2.009(Si3.991(14)O13OH), respectively. The structure of the crystals was refined in the triclinic system with unconventional space-group symmetry C1 to R1 = 2.02% and 3.56%, respectively. The unit cells were found to be a = 10.0080(2), b = 8.3622(1), c = 13.2994(2) Å, α = 89.987(1), β = 109.095(2), γ = 89.978(1)° and V = 1051.77(3) Å3 for silesiaite from Szklarska Poręba, and a = 9.9985(3), b = 8.3446(2), c = 13.2760(4) Å, α = 89.986(3), β = 109.122(2), γ = 90.020(2)° and V = 1046.55(5) Å3 for silesiaite from Häiviäntien. In both crystals, the Ca sites are occupied solely by calcium and Si sites by silicon atoms. Optimised occupancies of the four M sites indicated slightly different site fillings. In the Szklarska Poręba silesiaite, the M1 site is predominantly occupied by trivalent Fe + Sc and the M2–M4 sites by Sn. In contrast, in the Häiviäntien silesiaite, the M1–M3 sites are Sn-dominant, while Fe3+ predominantly occupies the M4 site. The differences can be considered a result of an evolution of the M1–M4 site occupancies following a decrease of the <M–O> distance. Among the minerals of the kristiansenite group, Sc-free silesiaite from the Häiviäntien pegmatite has the smallest average radius of M-site cations and a unit-cell volume that increases proportionally to the (Fe2+ ± Sc) content. The hydrogen atoms form moderate hydrogen bonds between disilicate groups (Si2O7 and Si2O6OH) linked in rows along [101], indicating the presence of one hydroxyl in the formula calculated for Z = 4. All three kristiansenite-group species, i.e. silesiaite, kozłowskiite and kristiansenite, are isostructural.
Reducing computational demands of restricted maximum likelihood estimation with genomic relationship matrices
Authors: Meyer Karin 
Published: January 2023

AbstractRestricted maximum likelihood estimation of genetic parameters accounting for genomic relationships has been reported to impose computational burdens which typically are many times higher than those of corresponding analyses considering pedigree based relationships only. This can be attributed to the dense nature of genomic relationship matrices and their inverses. We outline a reparameterisation of the multivariate linear mixed model to principal components and its effects on the sparsity pattern of the pertaining coefficient matrix in the mixed model equations. Using two data sets we demonstrate that this can dramatically reduce the computing time per iterate of the widely used ‘average information’ algorithm for restricted maximum likelihood. This is primarily due to the fact that on the principal component scale, the first derivatives of the coefficient matrix with respect to the parameters modelling genetic covariances between traits are independent of the relationship matrix between individuals, i.e. are not afflicted by a multitude of genomic relationships.
Haplotype variations of sucrose phosphate synthase B gene among sugarcane accessions with different sucrose content
Authors: Liu Hongbo , Lin Xiuqin , Li Xujuan , Luo Ziliang , Lu Xin , You Qian , Yang Xiping , Xu Chaohua , Liu Xinlong , Liu Jiayong , Wu Caiwen , Wang Jianping 
Published: January 2023

Abstract
Background
Sucrose phosphate synthase B (SPSB) gene encoding an important rate-limiting enzyme for sucrose synthesis in sugarcane is mainly expressed on leaves, where its alleles control sucrose synthesis. In this study, genetic variation of SPSB gene represented by different haplotypes in sugarcane was investigated in hybrid clones with high and low sugar content and various accessory species.

Results
A total of 39 haplotypes of SPSB gene with 2, 824 bp in size were identified from 18 sugarcane accessions. These haplotypes mainly distributed on Chr3B, Chr3C, and Chr3D according to the AP85-441 reference genome. Single nucleotide polymorphisms (SNPs) and insertion/deletion (InDels) were very dense (42 bp/sequence variation) including 44 transitional and 23 transversional SNPs among the 39 haplotypes. The sequence diversity related Hd, Eta, and Pi values were all lower in clones of high sucrose content (HS) than those in clones of low sucrose content (LS). The evolutionary network analysis showed that about half SPSB haplotypes (19 out of 39) were clustered into one group, including 6 (HAP4, HAP6, HAP7, HAP9, HAP17 and HAP20) haplotypes under positive selection in comparison to HAP26 identified in Badila (S. officinarum), an ancestry noble cane species and under purification selection (except HAP19 under neutral selection) in comparison to HAP18 identified from India1 (S. spontaneum), an ancestry species with low sugar content but high stress tolerance. The average number of haplotypes under positive selection in HS clones was twice as that in LS. Most of the SNPs and InDels sequence variation sites were positively correlated with sucrose and fiber content and negatively correlated with reducing sugar.

Conclusions
A total of 39 haplotypes of SPSB gene were identified in this study. Haplotypes potentially associated with high sucrose synthesis efficiency were identified. The mutations of SPSB haplotypes in HS were favorable and tended to be selected and fixed. The results of this study are informative and beneficial to the molecular assisted breeding of sucrose synthesis in sugarcane in the future.
IPA1 improves drought tolerance by activating SNAC1 in rice
Authors: Chen Feihe , Zhang Haomin , Li Hong , Lian Ling , Wei Yidong , Lin Yuelong , Wang Lanning , He Wei , Cai Qiuhua , Xie Hongguang , Zhang Hua , Zhang Jianfu 
Published: January 2023

AbstractDrought is a major abiotic stress to rice (Oryza sativa) during growth. Ideal Plant Architecture (IPA1), the first cloned gene controlling the ideal plant type in rice, has been reported to function in both ideal rice plant architecture and biotic resistance. Here, we report that the IPA1/OsSPL14, encoding a transcriptional factor, positively regulates drought tolerance in rice. The IPA1 is constitutively expressed and regulated by H2O2, abscisic acid, NaCl and polyethylene glycol 6000 treatments in rice. Furthermore, the IPA1-knockout plants showed much greater accumulation of H2O2 as measured by 3,3′-diaminobenzidine staining in leaves compared with WT plants. Yeast one-hybrid, dual-luciferase and electrophoretic mobility shift assays indicated that the IPA1 directly activates the promoter of SNAC1. Expression of SNAC1 is significantly down-regulated in IPA1 knockout plants. Further investigation indicated that the IPA1 plays a positive role in drought-stress tolerance by inducing reactive oxygen species scavenging in rice. Together, these findings indicated that the IPA1 played important roles in drought tolerance by regulating SNAC1, thus activating the antioxidant system in rice.
Level of self-care practices and associated factors among hypertensive patients in Addis Ababa, Ethiopia
Authors: Sahile Addisu Tadesse , Nurhussien Hayat Abdulkadir 
Published: January 2023

Abstract
Objectives
The study assessed the level of self-care practice and its predictors among hypertensive patients in the health centers of Bole Sub-city, Addis Ababa, Ethiopia.

Methods
A multi-Center-based cross-sectional study that employed 370 hypertensive participants at the conveniently selected Health Centers in Bole Sub-City; from August 01–30, 2020. The researchers selected the participants based on a simple random sampling method after applying for a pre-tested interviewer-administered questionnaire and secured for informed consent. All the statistical analyses were SPSS 22.0 software based. The authors used binary logistics regression to identify the presence and strength of association; with its respective 95%CI and p-value less than five percent as a significant level.

Results
The overall level of good self-care practice among hypertensive patients was 53.0% (95% CI: 47.2–58.8%) whereas 61.4%, 63.8%, 92.7%, 82.7%, and 18% of the study participants were adherent to medication, good weight management, non-smokers, alcohol abstainers and physical activity consecutively. Being illiterate had 2.347 and 2.084 times higher odds of having had good self-care practice compared to secondary school and a diploma or above consecutively. Being a merchant, civil, and retired were associated with good self-care practice than being unemployed.

Conclusion and recommendation
The study reported a lower level of self-care practice in the study settings. Educational level and occupation were factors identified for self-care practice. The authors recommended policymakers, healthcare workers, and researchers work on the identified factors of self-care practice of hypertensive participants in the study settings.
Cost-effectiveness of an insertable cardiac monitor in a high-risk population in the US
Authors: Elkind Mitchell S. V. , Witte Klaus K. , Kasner Scott E. , Sawyer Laura M. , Grimsey Jones Frank W. , Rinciog Claudia , Tsintzos Stelios , Rosemas Sarah C. , Lanctin David , Ziegler Paul D. , Reynolds Matthew R. 
Published: January 2023

Abstract
Background
Insertable cardiac monitors (ICMs) are a clinically effective means of detecting atrial fibrillation (AF) in high-risk patients, and guiding the initiation of non-vitamin K oral anticoagulants (NOACs). Their cost-effectiveness from a US clinical payer perspective is not yet known. The objective of this study was to evaluate the cost-effectiveness of ICMs compared to standard of care (SoC) for detecting AF in patients at high risk of stroke (CHADS2 ≥ 2), in the US.

Methods
Using patient data from the REVEAL AF trial (n = 393, average CHADS2 score = 2.9), a Markov model estimated the lifetime costs and benefits of detecting AF with an ICM or with SoC (specifically intermittent use of electrocardiograms and 24-h Holter monitors). Ischemic and hemorrhagic strokes, intra- and extra-cranial hemorrhages, and minor bleeds were modelled. Diagnostic and device costs, costs of treating stroke and bleeding events and medical therapy—specifically costs of NOACs were included. Costs and health outcomes, measured as quality-adjusted life years (QALYs), were discounted at 3% per annum, in line with standard practice in the US setting. One-way deterministic and probabilistic sensitivity analyses (PSA) were undertaken.

Results
Lifetime per-patient cost for ICM was $31,116 versus $25,330 for SoC. ICMs generated a total of 7.75 QALYs versus 7.59 for SoC, with 34 fewer strokes projected per 1000 patients. The model estimates a number needed to treat of 29 per stroke avoided. The incremental cost-effectiveness ratio was $35,528 per QALY gained. ICMs were cost-effective in 75% of PSA simulations, using a $50,000 per QALY threshold, and a 100% probability of being cost-effective at a WTP threshold of $150,000 per QALY.

Conclusions
The use of ICMs to identify AF in a high-risk population is likely to be cost-effective in the US healthcare setting.
Hemoglobin A1c in type 2 diabetes mellitus patients with preserved ejection fraction is an independent predictor of left ventricular myocardial deformation and tissue abnormalities
Authors: Li Zhiming , Han Dan , Qi Tianfu , Deng Jie , Li Lili , Gao Chao , Gao Wei , Chen Haiyan , Zhang Lihua , Chen Wei 
Published: January 2023

Abstract
Background
Early detection of subclinical myocardial dysfunction in patients with type 2 diabetes mellitus (T2DM) is essential for preventing heart failure. This study aims to search for predictors of left ventricular (LV) myocardial deformation and tissue abnormalities in T2DM patients with preserved ejection fraction by using CMR T1 mapping and feature tracking.

Methods
70 patients and 44 sex- and age-matched controls (Cs) were recruited and underwent CMR examination to obtain LV myocardial extracellular volume fraction (ECV) and global longitudinal strain (GLS). The patients were subdivided into three groups, including 19 normotensive T2DM patients (G1), 19 hypertensive T2DM patients (G2) and 32 hypertensive patients (HT). The baseline biochemical indices were collected before CMR examination.

Results
LV ECV in T2DM patients was significantly higher than that in Cs (30.75 ± 3.65% vs. 26.33 ± 2.81%; p < 0.05). LV GLS in T2DM patients reduced compared with that in Cs (−16.51 ± 2.53% vs. −19.66 ± 3.21%, p < 0.001). In the subgroup analysis, ECV in G2 increased compared with that in G1 (31.92 ± 3.05% vs. 29.59 ± 3.90%, p = 0.032) and that in HT, too (31.92 ± 3.05% vs. 29.22 ± 6.58%, p = 0.042). GLS in G2 significantly reduced compared with that in G1 (−15.75 ± 2.29% vs. −17.27 ± 2.57%, p < 0.05) and in HT, too (−15.75 ± 2.29% vs. −17.54 ± 3.097%, p < 0.05). In T2DM group, including both G1 and G2, hemoglobin A1c (HbA1c) can independently forecast the increase in ECV (β = 0.274, p = 0.001) and decrease in GLS (β = 0.383, p = 0.018).

Conclusions
T2DM patients with preserved ejection fraction show increased ECV but deteriorated GLS, which may be exacerbated by hypertension of these patients. Hemoglobin A1c is an index that can independently predict T2DM patients’ LV myocardial deformation and tissue abnormalities.
Evaluation of physicians’ knowledge of deprescribing, deprescribing tools and assessment of factors affecting deprescribing process
Authors: Akande-Sholabi Wuraola , Ajilore Comfort O. , Ilori Temitope 
Published: January 2023

Abstract
Background
Polypharmacy is a common global health concern in the older population. Deprescribing has been acknowledged as an important aspect of medication use review that helps to reduce polypharmacy, inappropriate medication uses and medication adverse events, thus ensuring medication optimization and improving health-related quality of life. As physicians are primarily responsible for prescribing and monitoring of drug therapy, their perception of deprescribing and knowledge of available deprescribing tools is highly important. This study aimed to explore physicians’ knowledge of deprescribing, deprescribing tools and factors that may affect the deprescribing process.

Methods
This was a cross-sectional survey carried out among 70 physicians in selected units of a teaching hospital in Nigeria between May and June 2022. Social-demographic information, knowledge of deprescribing and deprescribing tools were obtained using a self-administered, semi-structured questionnaire, while barriers and enablers of medication deprescribing were assessed with modified Revised Patients’ Attitudes Towards Deprescribing (rPATD) Questionnaire. Descriptive and bivariate analyses were carried out using SPSS and α was set at p < 0.05.

Results
Most of the physicians (56; 80.0%) were aware of the term “deprescribing” and had good knowledge (53; 75.7%) of the steps to deprescribing. However, (16; 22.9%) respondents knew of the deprescribing tools, of this, (5; 31.3%) were aware of Beers criteria and STOPP/START criteria. Awareness of the term “deprescribing” was significantly associated with knowledge of deprescribing steps (p = 0.012), while knowledge of deprescribing tools was significantly associated with; awareness of the term “deprescribing” (p = 0.029), and daily encounters with older multimorbid patients (p = 0.031). Very important factor affecting physicians deprescribing decisions include benefit of the medication. The most common barrier is lack of information for a full clinical picture of the patient.

Conclusion
The physicians had good knowledge of the term “deprescribing” and the steps to deprescribing. Specific measures to target the barriers faced by the physicians in deprescribing medications and policies to implement physicians use of existing guidelines to facilitate their deprescribing decisions are essential.
Incidence and predictors of post stroke seizure among adult stroke patients admitted at Felege Hiwot compressive specialized hospital, Bahir Dar, North West Ethiopia, 2021: a retrospective follow up study
Authors: Lidetu Tadios , Zewdu Dagmawit 
Published: January 2023

Abstract
Background
A post stroke seizure is a period of neurological dysfunction caused by abnormal neuronal activity. Seizures after a stroke have an impact on patients' lives and increase mortality in stroke patients. It also has a negative impact on the prognosis of stroke. However, there is a scarcity of literature in Ethiopia on the occurrence of post-stroke seizures. Therefore, this study aimed to assess the incidence and predictors of post-stroke seizure at Felege Hiwot compressive specialized hospital, North West Ethiopia.

Methods
An institution-based retrospective follow-up study was carried out at Felege Hiwot Compressive Specialized Hospital, North West Ethiopia from July 1, 2017 to June 30, 2021. The records of 568 stroke patients were reviewed using a random sample method. To find predictors of post-stroke seizures, we applied the log-binomial regression model.

Result
The incidence of post-stroke seizures was 22.18%( 95% CI 18.83%—25.83%). Older age group (ARR = 2.49, 95% CI 1.33–4.69), hemorrhagic stroke (ARR = 1.99, 95% CI 1.25–3.17), surgical intervention (ARR = 1.85, 95% CI 1.22–2.81), and tramadol medication (ARR = 1.85, 95% CI 1.22–2.81) were found to be predictors of post stroke seizure.

Conclusion
This study revealed that the incidence of post stroke seizure was high and older age, haemorrhagic type of stroke, surgical management, and use of tramadol anti-pain medication are risk factors for post-stroke seizures. Therefore, health care professionals must pay special attention and provide clinical care to patients who have risk factors for post-stroke seizure.
Trauma and its consequences in Iran: cross-cultural adaption and validation of the Global Psychotrauma Screen in a representative sample
Authors: Salimi Yahya , Hoeboer C. , Motevalli Haghi Seyed Ali , Williamson R. E. , Rahimi Mohammad Dawood , Rajabi-Gilan Nader , Almasi Ali , Olff M. 
Published: January 2023

Abstract
Background
Potentially traumatic events may lead to the development of a wide range of adverse psychological responses, including symptoms of anxiety, depression, and (complex) posttraumatic stress disorder (PTSD). Despite the high prevalence of potentially traumatic events in Iran, there is no population data nor evidence-based instrument to screen for cross-diagnostic psychological responses to trauma. The Global Psychotrauma Screen (GPS) is a transdiagnostic self-report instrument for the detection of trauma-related symptoms, as well as risk and protective factors related to the impact of potentially traumatic events.

Objective
The present study seeks to 1) translate and cross-culturally adapt the GPS in the Persian (Farsi) language and 2) examine the psychometric properties of the Persian GPS.

Method
The translation and adaptation were performed using the Sousa and Rojjanasrirat (2011) method. A pilot study (n = 30) was carried out to test the content validity and test–retest reliability of the GPS. Next, in a representative sample (n = 800) of residents of Kermanshah City, the GPS, the General Health Questionnaire (GHQ) and the PTSD Checklist for DSM-5 (PCL-5) were administered. Construct validity of the Persian GPS was assessed using exploratory and confirmatory factor analysis. Additionally, we evaluated the convergent validity and internal consistency of the GPS.

Results
Exploratory and confirmatory factor analyses indicated a three-factor model as the best solution with factors representing 1) Negative Affect, 2) Core PTSD symptoms and 3) Dissociative symptoms. The GPS total symptom score had high internal consistency and high convergent validity with related measures. A GPS total symptom cut-off score of nine was optimal for indicating a probable PTSD diagnosis based on the PCL-5. About half (52%) of the current sample met criteria for probable PTSD.

Conclusions
The current findings suggest that the GPS can be effectively adapted for use in a non-Western society and, specifically, that the Persian GPS represents a useful, reliable and valid tool for screening of trauma-related symptoms in Iran.
Older adults’ community participation, physical activity, and social interactions during and following COVID-19 restrictions in Australia: a mixed methods approach
Authors: Gough Claire , Barr Chris , Lewis Lucy K , Hutchinson Claire , Maeder Anthony , George Stacey 
Published: January 2023

Abstract
Background
With the increasing age of the global population, key components of healthy ageing including community, physical, and social participation continue to gain traction. However, management of the COVID-19 pandemic aimed to protect older adults and reduce the spread of the virus, this restricted community participation and reduced the opportunities for social interaction.

Methods
This mixed methods study investigates community dwelling older adults’ community participation; physical activity and social interaction prior to, during, and following the COVID-19 lockdown in Adelaide, Australia. Twenty-six community dwelling older adults were monitored over three time-points between November 2018 and October 2020, with Global Positioning Systems, accelerometry and self-reported diaries. In addition, nineteen participants completed semi-structured interviews.

Results
Community participation varied across the three time points, with significant reduction in the number of trips taken out-of-home (p = 0.021), social interactions (p = 0.001) and sleep quality (p = 0.008) during restrictions. Five themes were identified to explain personal experiences of community participation during restrictions: (1) Reframing of meaning, (2) Redefining to maintain activities, (3) Revision of risk, (4) Reflection and renewal and (5) Future planning.

Conclusion
During COVID-19 the physical and social activities of community dwelling older adults changed. Services that support older adults to adapt their activities , considering their capacities and preferences, to facilitate community participation are required.