bluuebunny/crossref_metadata_2025_split huggingface dataset:
Probing the range of applicability of structure‐ and energy‐adjustedQM/MMlink bondsII: Optimized link bond parameters for density functional tight binding approaches
Authors: Gallmetzer Hans Georg , Hofer Thomas S. 
Published: March 2022

AbstractOptimized link bond parameters for the CαCβbond of 22 different capped amino acid model systems have been determined at SCC DFTB/mio (self‐consistent charge density functional tight‐binding), SCC DFTB/3ob and GFNn‐xTB (n = 0, 1, and 2) level in conjunction with the AMBER 99SB, 14SB, and 19B force fields. The resulting parameter sets have been compared to newly calculated reference data obtained via resolution‐of‐identity 2nd order Møller–Plesset perturbation theory. The data collected in this work suggests that the optimized values in this study provide a more suitable setup of the QM/MM link bonds compared to the use of a single global setting applied to every amino acid fragmented by the QM/MM interface. The results also imply that a transfer of the ideal link bond settings between different levels of theory is not advised. In contrast, virtually identical parameters were obtained in calculations employing different variants of the AMBER force field. Considering the increasing success of tight binding based approaches being inter alia a results of their exceptional accuracy/effort ratio the provided collection of link atoms parameters provides a valuable resource for QM/MM studies of biomacromolecular systems as demonstrated in an exemplary QM/MM MD simulation of theβ‐amyloid/Zn2+complex.
Controlled preparation of grafted starch modified with Ni nanoparticles for biodegradable polymer nanocomposites and its application in food packaging
Authors: Iqbal Shahid , Nadeem Sohail , Javed Mohsin , Alsaab Hashem O. , Awwad Nasser S. , Ibrahium Hala A. , Mohyuddin Ayesha 
Published: March 2022

AbstractGrafting of starch with methyl methacrylate was carried out using a free radical mechanism. Free radicals were generated by the thermal disintegration of potassium persulphate at the temperature of 60°C. A variety of experimental methods were investigated to check the effect of different parameters such as (temperature, amount of starch, quantity of monomer) for efficient grafting. The optimum temperature found for good grafting was 60°C. The initial amount of starch was taken as 0.75 g. Keeping the amount of starch constant, the quantity of monomer was reduced gradually from 10 to 2 ml in portions of 5 and 3 ml. The controlled biodegradability of the grafted product was obtained by using a 3 ml monomer in 0.75 g starch. This grafted polymer showed 31.45% biodegradability in 60 days. The nanocomposite of starch grafted methyl methacrylate was prepared by incorporating 0.02 g Ni nanoparticles in the reaction flask 15 min before the completion of reaction time. The starch grafted polymer and nanocomposite of this were fully characterized by SEM, FTIR, TGA, and DSC techniques. The soil burial method was applied to estimate the biodegradability of samples. The polymer containing Ni nanoparticles was less biodegradable than without nanoparticles. Such polymers can be efficiently used as packaging material for food items.Research Highlights
Through a free radical method, methyl methacrylate was grafted onto the backbone of starch in this study.
During the process, nickel nanoparticles were added to achieve the nickel nanocomposite of the starch grafted polymer.
The breakdown of starch grafted polymer after 60 days in a soil burial experiment was 31.45%, whereas the degradation of nanocomposites was 20.07%.
Our synthesized nanocomposite polymers can be effectively employed as packaging material for food items.
Pentavalent semisymmetric graphs of square‐free order
Authors: Li Guang , Lu Zai Ping 
Published: March 2022

AbstractA regular graph is semisymmetric if its automorphism group acts transitively on the edge set but not on the vertex set. In this article, we give a complete list of connected semisymmetric graphs of square‐free order and valency 5. The list consists of a single graph, the incidence graph of a generalized hexagon of order , and an infinite family arising from some groups with cyclic Fitting subgroup.
Assessment of masticatory function in the differential diagnosis of Stage IV periodontitis: A pilot diagnostic accuracy study
Authors: Deng Ke , Uy Samantha N.M.R. , Fok Chris , Fok Melissa R. , Pelekos George , Tonetti Maurizio S. 
Published: March 2022

AbstractBackgroundAfter diagnosis of periodontitis is made, detection of Stage IV cases is critical for appropriate management that may call for interdisciplinary care. This study aims to identify and assess the accuracy of a simple screening approach for practice and surveillance of Stage IV periodontitis.MethodsMasticatory function assessments by both validated self‐reported masticatory dysfunction questionnaire and dual‐color chewing gum mixing ability test (index test) were conducted in 214 consecutive patients, followed by a full‐mouth periodontal examination. Periodontal diagnosis was based on the 2017 World Workshop classification of periodontal diseases (reference standard). Multivariate logistic regression and area under the receiver operating characteristic curve (AUROC) analyses were performed.ResultsOverall, the individual patient‐reported masticatory dysfunction questions showed low to moderate accuracy for predicting Stage IV periodontitis. The objective measures of masticatory function by calculating the variance of hue from the chewing gum test performed better with an AUROC of 0.840. A diagnostic approach based on age, self‐report of altered food type intake, and chewing gum test results exhibited excellent performance for predicting Stage IV periodontitis (sensitivity: 89.7%; specificity:76.3%; AUROC:0.912).ConclusionsOnce the presence of periodontitis has been established, a simple diagnostic approach that does not require specialized workforce, complex, or lengthy assessment allows identification of patients with Stage IV periodontitis. This is important as these patients require specific case work up and interdisciplinary care pathways. Additional studies are required to validate the findings in multiple populations.
Postdischarge coping difficulties and influencing factors of pregnant women with gestational diabetes mellitus: A cross‐sectional study
Authors: Li Wen , Zhang Yan , Wei Lili 
Published: March 2022

AbstractAims and objectivesTo identify coping difficulties after discharge and influencing factors of pregnant women with gestational diabetes mellitus.DesignA cross‐sectional descriptive survey was conducted with gestational diabetes mellitus women from four tertiary hospitals in the Shandong Peninsula in China.MethodsThe study consists of 252 gestational diabetes mellitus women. Survey measures included demographic information, quality of discharge teaching scale, readiness for hospital discharge scale and postdischarge coping difficulty scale. Multiple linear regression analysis was used to explore the factors of coping difficulties after discharge.ResultsThe situation of coping difficulties in pregnant women with gestational diabetes mellitus after discharge is not optimistic. Age, education level, type of birth, parity, quality of discharge teaching and discharge readiness are six factors that significantly influence postdischarge coping difficulties.
The embodiment of colonial strategy: Osteoarthritis in ancient Nubia
Authors: Schrader Sarah A. 
Published: March 2022

AbstractThe Egyptian Empire conquered and colonized Nubia, what is today northern Sudan, on multiple occasions. The colonization strategy employed was highly variable through time, ranging from the construction of militarized fortresses (Middle Kingdom 2050–1650 BCE) to an amicable co‐existence approach (New Kingdom 1550–1050 BCE). Egyptian tactics also varied spatially, depending on several factors including a colonized community's utility to the empire and the potential for revolt. Using a large dataset (n = 341), this paper compares osteoarthritis between seven Nubian communities to (1) evaluate whether imperial strategy impacted osteoarthritis severity and (2) assess whether rates of osteoarthritis differed between colonized communities.Age‐controlled analysis of covariance (ANCOVA) suggests there was significant variation in the frequency and severity of osteoarthritis throughout the empire. The Middle Kingdom C‐Group, an indigenous Nubian population that lived outside the Egyptian‐built and ‐occupied fortresses, displayed the highest rates of osteoarthritis for nearly all joint systems. Osteoarthritis then decreased during the postcolonial Second Intermediate Period (1650–1550 BCE) and again increased during the recolonization of the New Kingdom. However, there is significant variation of osteoarthritis at three New Kingdom sites, each of which experienced a differing colonization approach. This study suggests that the varying imperial strategies utilized by the Egyptian Empire may have impacted the physical activities and daily lives of Nubians and that these tactics were not equal throughout Nubia but were tailored to communities. It is therefore difficult to discuss a singular outcome of colonization; rather, these interpretations need to be nuanced with community‐level archaeological context.
Socio‐ecological dynamics in urban systems: An integrative approach to mosquito‐borne disease in Bengaluru, India
Authors: Evans Michelle V. , Bhatnagar Siddharth , Drake John M. , Murdock Courtney C. , Mukherjee Shomen 
Published: March 2022

Abstract

Urban environments are heterogeneous landscapes of social and environmental features, with important consequences for human–nature entanglements, such as that of mosquito‐borne disease.

Investigations into this intra‐urban heterogeneity in mosquito dynamics find conflicting results, likely due to the complex socio‐ecological interactions and the importance of place‐based context. Integrative research, which synthesizes multiple disciplines and epistemologies, can place ecological results into their social context to explore these place‐based differences and reveal novel solutions for mosquito‐borne disease management.

Here, we develop an integrative approach to understanding spatial patterns of mosquito burdens in urban systems by combining entomological surveys, semi‐structured interviews and sketch maps. We highlight this approach using a mixed‐method study conducted in Bengaluru, India, a rapidly urbanizing city with a high burden of mosquito‐borne disease.

Although we found no evidence for a difference in mosquito abundance across an urban gradient, there were differences in individuals' everyday experiences with mosquitoes. These differences were mediated by how individuals moved through outdoor space and their vulnerability to hazards in these spaces.

This example of integrative research illustrates what can be gained from the inclusion of multiple epistemologies, particularly for research in urban systems.

Read the free Plain Language Summary for this article on the Journal blog.
Prenatal diagnosis of congenital ventricular aneurysm and diverticulum: Prenatal features and perinatal management
Authors: Morin Cecile , Ponzio Alice , Guirgis Maurice , Benzouid Cherine , Beyler Constance , Rosenblatt Jonathan 
Published: March 2022

AbstractCongenital ventricular diverticulum (VD) and aneurysm are rare cardiac developmental anomalies and their pathophysiology is still unclear. They present as an anomaly of the four chambers view, cardiomegaly, arrhythmia, pericardial effusion, or hydrops. They are usually isolated anomalies. Differential diagnosis between diverticulum and aneurysm is challenging during the prenatal period. Management policy is not uniform either conservative or repeated pericardial puncture.ObjectiveWe wanted to describe prenatal features and post‐natal outcomes of fetal cardiac out pouching.MethodsWe retrospectively report 6 cases of VD and aneurysm prenatally managed in our fetal medicine unit between 2010 and 2020. All cases were evaluated from the first or second trimester of pregnancy until postnatal follow‐up (3 months to 3 years).ResultsAll six cases underwent a monthly ultrasound follow‐up with spontaneous regression of pericardial effusion, and normal hemodynamics at birth No pericardial puncture was done and postnatal outcome was favorable in all cases.ConclusionBased on our experience and on cases previously published, prenatal counseling should be prudent regarding the final diagnosis. Referral and monthly prenatal ultrasound follow‐up, birth in a tertiary center after multidisciplinary evaluation and cardiological evaluation at birth still seem mandatory.
Investigation of the systemic inflammatory index as a predictor of downstaging in locally advanced rectal cancer patients with preoperative chemoradiation
Authors: Zou Wenxue , Huang Rui , Zheng Yanfen , Liu Chao , Sun Jujie , Sun Yanlai , Yue Jinbo 
Published: March 2022

AbstractObjectivesTo find the correlations between blood systemic inflammatory biomarkers at three treatment time points and clinical effects of neoadjuvant chemoradiotherapy through a retrospective study.MethodsIn total, 101 patients with locally advanced rectal cancer were included in the current study. Patients were divided into two groups based on the T‐downstaging, among which 54 patients had T‐downstaging. We used non‐parametric tests to compare the differences between the variables in two groups. We carried out a logistic regression analysis to evaluate the predictive value of blood systemic inflammatory biomarkers.ResultsPre‐/nadir/postsystemic immune‐inflammation, nadir neutrophil‐to‐lymphocyte ratio, nadir/post‐platelet‐to‐lymphocyte ratio, and post‐lymphocyte have differences between groups (p 0.05 for all). We included p0.05 indicators and clinical related factors into the multivariate analysis, respectively, and we found that lower presystemic immune‐inflammation, nadir systemic immune‐inflammation/neutrophil‐to‐lymphocyte ratio/post‐lymphocyte, and post‐nadir/post‐platelet‐to‐lymphocyte ratio were associated with better therapeutic effects (p < 0.05).ConclusionsThe systemic inflammatory index was indicative in predicting the therapeutic effects of locally advanced rectal cancer patients after neoadjuvant chemoradiotherapy.
Citrobacter freundii, a natural associate of the Colorado potato beetle, increases larval susceptibility to Bacillus thuringiensis
Authors: Polenogova Olga V. , Noskov Yury A. , Artemchenko Anna S. , Zhangissina Saule , Klementeva Tatyana N. , Yaroslavtseva Olga N. , Khodyrev Viktor P. , Kruykova Natalya A. , Glupov Viktor V. 
Published: March 2022

AbstractBACKGROUNDWe assume that certain representatives of gut microflora mediate immune changes during dysbiosis, accelerating septicemia caused by Bacillus thuringiensis.RESULTSCo‐introduction of Citrobacter freundii with Bacillus thuringiensis var. tenebrionis (morrisoni) (Bt) led to an increase in Colorado potato beetle (CPB) larval mortality to 69.0% (1.3–5×) and a synergistic effect was observed from day 1 to day 6. Ultrathin sections of the CPB midgut showed autophagosome formation and partial destruction of gut microvilli under the influence of Bt, which was accompanied by pronounced hypersecretion of the endoplasmic reticulum with apocrine vesicle formation and oncotic changes in cells under the action of C. freundii. The destruction of gut tissues was accompanied by suppression of detoxification processes under the action of the bacteria and a decrease (2.8–3.5×) in the concentration of lipid oxidation products during Bt infection. In the first hours post combined treatment, we registered a slight increase in the total hemocyte count (THC) especially a predomination (1.4×) of immune‐competent plasmatocytes. Oral administration of symbiotic and entomopathogenic bacteria to the CPB larvae significantly decreased the THC (1.4×) after 24 h and increased (1.1–1.5×) the detoxifying enzymes level in the lymph. These changes are likely to be associated with the destruction of hemocytes and the need to remove the toxic products of reactive oxygen species.CONCLUSIONThe obtained results indicate that feeding of C. freundii and B. thuringiensis to the CPB larvae is accompanied by tissue changes that significantly affect the cellular and humoral immunity of the insect, increasing its susceptibility to Bt. © 2022 Society of Chemical Industry.
Use of bronchoalveolar lavage in diagnosing angioimmunoblastic T‐cell lymphoma: A case report
Authors: Yamamoto Gaku , Takamura Kei , Ishida Yuriko , Sato Yuma , Sinozaki Ayuka , Kikuchi Hajime , Yamamoto Makoto , Kobayashi Hajime , Hirose Naoki , Kikuchi Keisuke 
Published: March 2022

AbstractAngioimmunoblastic T‐cell lymphoma (AITL) is a type of peripheral T‐cell tumour that belongs to the group of non‐Hodgkin's lymphomas. Pulmonary lesions can be found in 7%–10% of AITL cases. Imaging findings of the lungs varied; however, immunoblastic infiltration in the lungs is rare. Our patient was a 73‐year‐old man who received repeated chemotherapy for AITL. Fourth‐line therapy using romidepsin controlled the illness, but the patient was hospitalized for dyspnoea and an infiltrative shadow. We performed bronchoalveolar lavage (BAL), and the culture was positive for Haemophilus influenzae. The patient was initially discharged with antibiotic therapy, but hospitalized again. Antibiotics were ineffective and the patient required mechanical ventilation. BAL was performed again, after which fluid cytology revealed immunoblast‐like atypical cells. Therefore, the patient was diagnosed with pulmonary infiltration due to AITL. Steroid therapy proved ineffective, and the patient died. BAL was used to effectively diagnose pulmonary AITL infiltration.
Three‐Dimensional MXenes for Supercapacitors: A Review
Authors: Li Kangle , Li Jiapeng , Zhu Qizhen , Xu Bin 
Published: March 2022

AbstractSupercapacitors have the characteristics of high power density and long cycle life, but the low energy density limits their further development. The 2D transitional metal carbides/nitrides (MXenes) show great application prospects in the field of supercapacitors due to their superior volumetric capacitance, metallic‐like conductivity, tunable surface terminations, and structural advantages. However, like other 2D materials, MXenes suffer from the inevitable problem of nanosheet restacking and aggregation, which reduces the overall active surface sites and blocks the accessibility of the electrolyte ions. The transformation of 2D MXene nanosheets into 3D architectures is proven effective to overcome the restacking problem. The review briefly summarizes the preparation strategies of 3D MXene materials, including template‐assisted method, framework‐assisted method, chemical assembly method, foaming method, and other methods with the discussion centered on the performances of 3D MXenes in supercapacitors. Finally, an outlook on the current progress and opportunities is given to highlight the increasing popularity of 3D MXenes in supercapacitors.
Melatonin improves bisphenol A‐induced cell apoptosis, oxidative stress and autophagy impairment via inhibition of the p38 MAPK signaling pathway in FLK‐BLV cells
Authors: Song Dan , Liu Yuan , Yao Yaxin , Liu Feng , Tao Wenjing , Zhou Xiaolong , Li Runsheng , Zhang Xiaowei , Li Xiangchen 
Published: March 2022

AbstractThe aim of this study was to assess the protective effect and potential mechanism of melatonin against bisphenol A (BPA)‐induced apoptosis and oxidative damage in FLK‐BLV cells. The results showed that BPA reduced cell viability in a dose‐ and time‐dependent manner, caused cell shrinkage and induced oxidative stress and apoptosis in FLK‐BLV cells, which were effectively reversed by melatonin. In addition, BPA caused autophagy flux impairment, which was confirmed by the increased of LC3‐II and p62 levels, whereas melatonin treatment effectively reduced p62 levels under BPA treatment, and reversed apoptosis‐related protein expression patterns caused by BPA. However, inhibition of autophagy by CQ partially abolished the protective effect of melatonin on apoptosis, suggesting that melatonin against BPA‐induced oxidative injury and apoptosis by activating autophagy pathway. Moreover, we found that melatonin inhibited BPA‐induced the activation of p38 MAPK, which was comparable to SB203580 pretreatment, and companied by the activation of autophagy and decreases of apoptosis when compared to BPA alone, indicating that melatonin protected against BPA‐induced apoptosis partially through the p38 MAPK‐autophagy pathway. In conclusion, these results suggest that melatonin may prevent BPA‐induced FLK‐BLV cell damage by inhibiting p38/MAPK signaling pathway and activating autophagy, and it could be a potential therapeutic compound in preventing BPA‐induced cell damage.
A retrospective study of canine transmissible venereal tumour in Grenada, West Indies
Authors: Schectman Sara J. , Khanam Afroza , Walters Mellisa N. D. , Kirwan Elliot , Sylvester Wayne R. , Khan Firdous A. 
Published: March 2022

AbstractBackgroundCanine transmissible venereal tumour (CTVT) is a naturally occurring neoplasia affecting dogs worldwide. Previous CTVT studies in Grenada were limited to case records of dogs with neoplastic conditions at a veterinary diagnostic laboratory.ObjectivesThe present retrospective study aimed to determine the occurrence and risk factors of CTVT in a wider population of owned dogs presented to a university‐affiliated veterinary hospital between 2008 and 2018.MethodsData on the age, breed, gender, and gonadectomy status were retrieved from an electronic database and analyzed using logistic regression.ResultsOf the 7180 dogs presented during the period, 102 dogs (1.4%) were diagnosed with CTVT. A higher predisposition was observed in Grenadian pothounds (odds ratio [OR] = 22.8, 95% confidence interval [CI] 10.3–50.4; p < 0.001) and mixed‐breed dogs (OR = 9.2, 95% CI 4.1–20.7; p < 0.001) in comparison to the purebreds. Neutered dogs (OR = 2.2, 95% CI 1.4–3.3; p < 0.001) were at an increased risk of CTVT than intact dogs. Age and gender were not identified as significant risk factors.ConclusionsThe percentage of dogs with CTVT in this study represents a crude estimate of the CTVT prevalence in the owned dog population in Grenada. Further studies including both owned and free‐roaming dogs are required for a more accurate estimation of the CTVT prevalence in the region. Our results indicate that breed and gonadectomy status are significant risk factors for the occurrence of CTVT in Grenada.