bluuebunny/crossref_metadata_2025_split huggingface dataset:
In-Silico approach of the Mangrove Triterpenoids against SARS-CoV-2 Main protease (Mpro)
Authors: Purushothaman Ramamoorthy , Vishnuram Ganapathy , Ramanathan Thirugnanasambandam 
Published: January 2023

Abstract
SARS-CoV-2 (COVID-19) complaint is a new strain of coronavirus (2019-nCoV) found in 2019 at Wuhan city, China. Till date, there is no specific treatment against Covid-19 infection. Computer-aided drug design (CADD) is one of the new approaches for identifying the lead compound in drug development. In the present study, we performed an in-silico study of the Triterpenoid compounds from Mangrove plant as potential COVID-19 main protease (Mpro) inhibitors, which are used as a potential medicine target. Mangroves are salt-tolerant plant, rich in secondary metabolites. Generally, more than 16% of triterpenes are present in the Mangrove plant and possess many Pharmacological activities. In this study we used Molecular Docking using Auto Dock software. The binding energies obtained from the docking of 6LU7 with Beta-amyrin, Betulin, germanicol, taraxerol, lupeol, lupane, simiarenol, Tirucallol, Ursolic acid, Oleanolic acid, and Alpha-amyrin were − 8.37, -8.73, -8.06, -7.71, -8.32, -8.49, -8.16, -8.99, -9.24, -8.87 and − 8.89 kcal/mol, respectively. Further, these results were also confirmed by drug-likeness properties by using Swiss ADME software. This study showed Triterpenoid compounds seemed to have the best potential to act as COVID-19 Mpro inhibitors and they have a potential lead compound for the development of drugs, which can be used against the SARS-CoV-2 virus. However, further research like in-vivo and in-vitro examines is necessary to investigate their potential medicinal use.
Couple-Based exercise program for post - PCI patients to improve cardiac rehabilitation exercise compliance
Authors: Zhang Mingyue , Huang Lihua , Cai Shasha , Xiang Xinyue , Fang Yong , Shao Rongya 
Published: January 2023

Abstract
BACKGROUND
Exercise-based cardiac rehabilitation can reduce the risk of all-cause mortality, cardiovascular events, and sudden death in post-PCI patients, restore physical strength, and allow them to return to society as early as possible. However, low participation and poor adherence to cardiac rehabilitation are prevalent across countries, with the poorest adherence among post-PCI patients in China. Given that the spouse is the primary caregiver of a patient after PCI, the health, behavior, and values of the couple are closely related. This study designed a couple-based exercise program based on the dyadic coping theory to promote the exercise of patients and their spouses in order to improve the compliance of patients with cardiac rehabilitation exercise, so as to improve the effect of cardiac rehabilitation.
METHODS
This study is a quasi-experiment, the dyads (N = 68) will be recruited to participate in a 12-week study. They will be recruited to the intervention group that will receive the Couple-Based exercise program and the control group that will receive routine exercise-based cardiac rehabilitation. The primary outcomes were exercise adherence and exercise self-efficacy. Secondary outcomes were the 6-minute walk test, the 9-item Patient Health Questionnaire, and the Generalized Anxiety Disorder Scale. Outcomes were collected at baseline and post-intervention (12 weeks). Statistical analysis will be performed using SPSS V. 25.0 software.
RESULT
After a three-week follow-up, the results showed that there were significant differences in exercise adherence, exercise self-efficacy, 6-minute walk test and anxiety-depression in patients in the co-exercise binary group compared to the control group (p > 0.05), indicating that the intervention program of co-exercise for couples helped to improve exercise adherence, exercise self-efficacy, 6-minute walk test and anxiety-depression in patients compared to usual care depression.
DISCUSSION
Couples exercising together can change the conventional exercise interventions, with a shift occurring from the individual level to the dyadic level, an approach that optimizes the situation for both partners, as the physical and mental health of the couple is closely linked.
TRIAL REGISTRATION:
This study was registered with the Chinese Clinical Trials Registry on April 12, 2022 under registration number ChiCTR2200058600.
Aesthetic Evaluation of Free Gingival Graft Applied By Partial De-Epithelialization and Free Gingival Graft Applied By Conventional Method: A Randomized Controlled Clinical Study
Authors: Naziker Yonca , Ertugrul Abdullah Seckin 
Published: January 2023

AbstractObjective:The aim of this clinical study is to compare the partially de-epithelialized free gingival grafts (d-FGG) with the conventional free gingival grafts (FGG) aesthetically with the help of photographic analysis and visual evaluation (VAS).Materials and Methods: A total of 30 defects were treated in 15 patients with attached gingiva insufficiency. In the split-mouth study, d-FGG were applied on one side (Test group), while FGG were applied on the contralateral side (Control group). Results of clinical periodontal parameters were evaluated in 6-month follow-up, and aesthetic evaluation results were evaluated in 1, 3, and 6 months follow-up.Results:Among the periodontal clinical parameters examined, only the keratinized tissue width (KT) was found to be statistically significantly higher in the test group compared to the control group. In photo analysis evaluation, a significant difference was found between both groups at the 3rd month. In visual evaluation, there was no significant difference between the two groups in the time periods examined.Conclusion:d-FGG and FGG are equivalent to each other in terms of aesthetic harmony and clinical parameters. d-FGG have become a preferable option in mucogingival surgery alone or in combination with other techniques, providing aesthetic success.Clinical Relevance:The free gingival graft has a whiter appearance that is not compatible with the recipient site, while the de-epithelialized gingival graft and connective tissue graft have a pinker appearance that is compatible with the recipient site.Partially de-epithelialized free gingival graft is a method with acceptable aesthetic results.
Ligand field tuning of d-orbital energies in MOF clusters
Authors: Diamond Brian , Payne Lillian , Hendon Christopher 
Published: January 2023

Abstract
Linker functionalization is a common route used to affect the electronic and catalytic properties of metal-organic frameworks. By either pre- or post-synthetically installing linkages with differing linker moieties the band gap, workfunction, and exciton lifetimes have been shown to be affected. One overlooked aspect of linker functionalization, however, has been the impact on the metal d-orbital energies to which they are bound. The ligand field differences should result in substantial changes in d¬-splitting. In this study we use DFT to study the energetics of d-orbital energy tuning as a function of linker chemistry. We offer a general descriptor, linker pKa, as a tool to predict the resultant d-splitting in MOFs. Our calculations reveal that simple functionalizations can affect the d-energies by up to 2 eV and illustrate the significance of this band modularity using four archetypal MOFs: UiO-66, MIL-125, ZIF-8, and MOF-5. Together, we show that linker functionalization dramatically affects d-energies in MOF clusters and highlight that linker functionalization is a useful route for fine-tuning band edges centered on the metals, rather than linkers themselves.
Demographics, referral patterns and outcome of neural tube defect patients in Southwestern Uganda
Authors: Punchak Maria , Najjuma Josephine Nambi , Razak Shahaan , BNS Zaina Nakaziba , Kasoba Amos Mbusa , Haglund Michael M. , Fuller Anthony T. , Kitya David 
Published: January 2023

Abstract
The authors have requested that this preprint be removed from Research Square.
Genetic diversity and population structure of sweet potato landraces based on phenotypic traits, carotenoid content, and SSR molecular markers
Authors: Chen Yihang , Tang Chaochen , Zhang Rong , Jin Jingwei , Wang Zhangying 
Published: January 2023

Abstract
Germplasm resources are an important basis for genetic breeding, and the study of genetic diversity is beneficial to the discovery and improvement of germplasm resources. In this study, 132 local germplasm of sweet potato were used as test materials, and 20 phenotypic traits were analyzed for genetic diversity using distribution frequency, coefficient of variation, and Shannon's diversity index; carotenoid contents in sweet potato tubers were measured by HPLC, and their genetic diversity was analyzed using the coefficient of variation, mean, and standard deviation. Meanwhile, the genetic diversity, as well as population structure, were analyzed based on 10 pairs of SSR molecular markers using Nei's genetic diversity index and Shannon's diversity index. The results showed that the 132 sweet potato landraces had high genetic diversity based on phenotypic traits, SSR molecular markers, and carotenoid content, respectively; based on population structure analysis, the 132 sweet potato landraces could be divided into five subgroups. Analysis of molecular variation (AMOVA) showed that 84% of the variation existed within populations and 16% between populations. This study provides a basis for the selection of parental material for the genetic breeding improvement of sweet potato and for the mining of superior genes.
Pathogen detection and analysis in patients with sepsis complicated with new- onset atrial fibrillation: a retrospective observational study
Authors: Yang Ao-Ling , Li Li , Zhang Zhao-Hui , Li Xin-Xin , You Xiao-Xue , Sun Jin , Akram Muhammad Farhan , Liu Hai-Hua 
Published: January 2023

Abstract
Background: Patients with sepsis are prone to complications such as cardiac damage and arrhythmia, of which atrial fibrillation (AF) is the most common. Previous studies have found that some pathogenic microorganisms infected by sepsis patients was related to the occurrence of new-onset atrial fibrillation (NOAF), but no study has conducted a detailed and comprehensive analysis of the pathogens associated with NOAF in sepsis patients.
Methods: This retrospective observational study examined 2123 patients diagnosed with sepsis in Yichang Central People's Hospital from August 1, 2016, to August 20, 2021. We selected 123 septic patients with AF as the case group and 2000 septic patients without AF as the control group. The sociodemographic characteristics, complications, laboratory test results, hospital clinical process and outcome of the two groups were compared. In addition, we assessed the proportion of pathogens with different types, common strains, gram-positive bacteria, gram-negative bacteria, different sites of infection, community infection, nosocomial infection, and culture-negative sepsis. We used logistic regression to determine the risk factors for NOAF in sepsis patients.
Results: In the adjusted multivariable analysis, we found that sepsis patients with NOAF are significantly more likely to have older age (OR 2.725; 95% CI 1.775-4.184), coronary heart disease (OR 2.124; 95% CI 1.300-3.471), heart failure (OR 2.289; 95% CI 1.462-3.585), severe inflammation (OR 4.012; 95% CI 2.654-6.064), septic shock (OR 2.297; 95% CI 1.532-3.445), Pseudomonas aeruginosa infection (OR 4.163; 95% CI 2.199-7.880), Streptococcus pneumoniae infection (OR 5.729; 95% CI 1.666-19.706) and central venous catheter infection (OR 3.954; 95% CI 1.651-9.470). Moreover, sepsis patients with NOAF might have a significantly higher risk of all-cause mortality (P-adj=0.000), higher hospitalization expenses (P-adj=0.000), a higher likelihood of admission to the ICU (P-adj=0.000), and a higher likelihood of using mechanical ventilation than those without NOAF (P-adj=0.000).
Conclusions: In addition to traditional risk factors (such as older age, coronary heart disease, heart failure, severe inflammation and septic shock), Pseudomonas aeruginosa infection, Streptococcus pneumoniae infection and central venous catheter infection also contributed to the risk of NOAF in sepsis patients. Furthermore, NOAF conferred an increased risk for in-hospital mortality and hospitalization expenses.
Experimental study on seismic performance of cold-formed thin-walled steel-concrete composite column-H steel beam frame
Authors: Hou HongJie , Chen ZhiHua , Wang XiuLi 
Published: January 2023

Abstract
For the light-weight steel frame structures consisting of cold-formed thin-walled steel-concrete composite columns and H-shaped steel beams, the seismic performance comparison tests and numerical simulation analyses were performed for the bare frame and the infilled frame. The effects of the lightweight wall panels, the axial compression ratio and the steel wall thickness of composite columns on the seismic properties of the structure have been investigated. The failure of the bare frame is concentrated in the weld fracture at the beam-column joints. When the infilled is embedded in the frame, the damage is concentrated at the corners and edges of the wall panel, and at the connectors. Wall panel significantly improves the frame’s initial stiffness, early energy dissipation and extreme load, with the wall panel energy dissipation rate as high as 91% at the beginning. As the axial compression ratio increases, the extreme load on the structure is significantly reduced. Under monotonic loading, the extreme load on the structure with axial compression ratio 0.4 is reduced by nearly 44% compared to the structure without axial compression. Increasing the wall steel thickness of the composite column increases the load-bearing capacity of the structure, but the increase diminishes with increasing wall thickness.
Clinical observation of dexmedetomidine nasal spray in the treatment of sleep disorders on the first night after undergoing maxillofacial surgery: A single- center double-blind randomized controlled study
Authors: Wang Ye , Jin Zibin , Xu Wenli , Chen Keyu , Wei Lingxin , Deng Xiaoming , Yang Dong , Yan Fuxia 
Published: January 2023

AbstractBackground: Dexmedetomidine exerts a sedative effect by promoting the sleep pathway endogenously and producing a state similar to N2 sleep. Aims: To study the efficacy and safety of dexmedetomidine nasal spray in the treatment of postoperative sleep disturbance. Methods: We herein enrolled 120 participants [men and women; age, 18–40 years; American Society of Anesthesiologists grade, I or II] who underwent maxillofacial surgery under general anesthesia through nasotracheal intubation. The participants were randomly divided into three groups: blank control group (BC group), 1.0-µg/kg dexmedetomidine group (1.0 Dex group), and 1.5-µg/kg dexmedetomidine group (1.5 Dex group), with 40 patients allocated to each group. At 21:30 on the night after the operation, the intervention groups were administered their corresponding doses of dexmedetomidine nasal spray. The Pittsburgh Sleep Quality Index (PSQI) scale was used to evaluate the baseline sleep status of participants 1 month preoperatively and on the night after the operation. Polysomnography (PSG) was used to record the sleep status on the night after the operation. We recorded the rescue times of sedative and analgesic drugs on the first night after surgery, adverse reactions, total hospital stay duration, and total costs. Results: Compared with patients in the BC group, those in 1.0 Dex and 1.5 Dex groups had longer N2 sleep duration, were awake for a shorter time after dose administration, woke up less often, and had significantly improved sleep efficiency (P < 0.05). Compared with the BC group, the PSQI scores of 1.0 Dex and 1.5 Dex groups were significantly lower on the night after operation, and the proportion of PSQI > 5 was significantly lower (P < 0.05). Compared with patients in the BC group and the 1.0 Dex group, those in the 1.5 Dex group had significantly prolonged N3 sleep, reduced frequency of requiring sufentanil rescue, lower incidence of sore throat after surgery, and shorter average length of hospital stay (all,P < 0.05). Conclusion: The sleep quality of participants on the night after having undergone maxillofacial surgery was safely and effectively improved by 1.0-µg/kg and 1.5-µg/kg dexmedetomidine atomized nasal sprays. Notably, only the latter could prolong N3 sleep.Level of Evidence II:Evidence was obtained from at least one properly designed randomized controlled trial.
GAP method: A dichotomization technique for outlier detection and its application to wildlife GPS data
Authors: Hirakawa Hirofumi , Muramatsu Daisuke , Gordo Marcelo , Takii Akiko , Izumiyama Shigeyuki 
Published: January 2023

Abstract
Outliers in datasets are a concern for analysts as disturbances or signals, and various techniques for their detection have been proposed. Some of them separate outliers as output, but others do not. The latter provide measures of how likely each data point is an outlier, but they leave the threshold-setting for separating outliers as a task for analysts. We developed a technique to help analysts perform this task. This technique uses value gaps between adjacent data pairs in a univariate dataset, where the data are sorted in ascending order of value. Its core process is to find the largest gap in the upper range of the dataset and remove the data above the gap as outliers; its supplementary process is to repeat the core process for the dataset after removal. Analysts need to decide when to stop this iteration. However, this process leaves analysts with only a few reasonable options for the decision. This method applies to any dataset, such as a time series or multivariate dataset, if a ratio-scale measure for quantifying the degree of data being an outlier is given. We demonstrate how to implement this technique using wildlife GPS data and discuss the uniqueness and usefulness of the approach.
Magnetically Recoverable Silica-Supported Magnetite-(K 10 ) Montmorillonite Nanoparticles and their Utilization for the Synthesis of Nitrile from Aldehyde
Authors: Patil Shripad M , Bedre Ashwini 
Published: January 2023

Abstract
Magnetic nanoparticles Fe3O4@SiO2@K10 as heterogeneous catalysts were found to be green and efficient for the synthesis of nitrile series by using aldehyde and hydroxylamine hydrochloride reflux under 80 0C conditions. The synthesized nanoparticles were analyzed using powder XRD, FT-IR spectra, EDX, WDX, and FE-SEM techniques. The size of the nanoparticles of the product was determined to be around 19 nm. That catalyst has the potential to function as a nano-reactor. The current approach has the following advantages: cleaner reaction, faster reaction, higher yield, easier set-up, and cheaper nanocatalyst availability. The nanocatalysts have been recycled and reused at least six times without losing their catalytic capabilities.
Spectral Interpolation method SIM for increasing X-ray laminography reconstruction with Limited Data projections
Authors: BACHA Mohammed reda AHMED , BENOUAR ALI , AKERMI Nesro , khorsi azzddine 
Published: January 2023

Abstract
The lamingoraphy imaging is an non-destructive testing used in the industrial field, commonly used to inspect industrial products using radiation sources, X-ray. Laminography has several advantages, such as high depth resolution. The reconstruction process of the image in This system use stationary inverse-geometry X-ray and causes Artifacts in final image due to limited number of projection. In this project, we proposed a spectral interpolation method (SIM) for correction to reduce the star artifacts. Tthe performance of the proposed method was evaluated with the SSIM. Comparing with conventional techniques, the SIM method showed superior performance in reducing star artifacts and improved the reconstructed images for poor number of projections.
3D Printable Electroconductive Gelatin-Hyaluronic Acid Composites Containing Polypyrrole Nanoparticles For Electroactive Tissue Engineering
Authors: Serafin Aleksandra , Culebras Mario , Oliveira J. Miguel , Koffler Jacob , Collins Maurice N. 
Published: January 2023

Abstract
Electrically conductive bio-scaffolds are being explored in the field of tissue engineering (TE) as a solution to address the clinical need of electroactive tissues, finding applications in nervous, cardiac, and spinal cord injury repair. In this work, we synthesise polypyrrole nanoparticles (PPy NP) via the mini-emulsion method with further combination with a gelatin/hyaluronic acid (HA) hydrogel to create electro-conductive Gel:HA:PPy-NP TE scaffolds. The electro-conductive Gel:HA:PPy-NP scaffolds possess excellent mechanical properties at 1.08 ± 0.26 MPa, closely matching to reported spinal cord mechanical performance. Scaffolds were designed with controlled porosity of 526.2 ± 74.6-403.9 ± 57.4 µm, and conductivities of 4.3×10− 6±1.1×10− 6 S.cm− 1 were reached. Rheological studies show that prior to lyophilisation, the Gel:HA:PPy-NP hydrogels display a shear-thinning behaviour. These gels were subsequently 3D printed into predefined 2 layer lattice geometries and displayed excellent post-printing shape fidelity. In-vitro studies show that the Gel:HA:PPy-NP scaffolds are cytocompatible with mesenchymal stem cells and neuronal stem cells and display encouraging cell attachment and proliferation profiles. Based on these results, the incorporation of PPy NPs into Gel:HA biomaterial scaffolds enhances the conductive capabilities of the material, while showcasing biocompatible behaviour with cell cultures. Hence, Gel:HA:PPy-NPs scaffolds are a promising TE option for the stimulating of nervous tissue injury regeneration.
Benign Late T wave Inversion Post coronary artery bypass grafting: of Myocardial Reperfusion Sign Appearing Late on ECG a case report
Authors: Aware Brahim Nassour , Mahoungou Noel , Adikpeto Fegus , Seydou Harouna , Arouss Salim , Bennouna Ghali , Drighil Abdel Nasser , Azzouzi Leila , Pacaud Didier , HABBAL Rachida 
Published: January 2023

Abstract
Bacground: The onset of new T wave inversion (TWI) on an electrocardiogram (ECG) has always been considered an alarming sign of myocardial ischemia. Successful myocardial infarction reperfusion is indicated by the presence of early TWI after revascularization. We report a case of benign late precordial TWI post-coronary artery bypass grafting (CABG) with no evidence of myocardial ischemia.
Case report: A 44-year-old Middle, medically free apart from dyslipidemia on a trial of diet presented with non-ST-segment elevation MI (NSTEMI). Coronary catheterization revealed triple vessel disease involving ostial to mid LAD 80% lesion, ostial 80% D1 lesion, ostial 80% OM1 lesion, and diffusely disease RCA up to the bifurcation of PDA/PLV branches, followed by CABG two weeks later-LIMA to LAD, SVG to D1, OM1 and PDA
Conclusion:
Anterior precordial T wave inversion can present as a late ECG sign of successful myocardial reperfusion in Non ST segment myocardial infarction after revascularization via CABG.