bluuebunny/crossref_metadata_2025_split huggingface dataset:
Machine learning accurate exchange and correlation functionals of the electronic density
Authors: Dick Sebastian , Fernandez-Serra Marivi 
Published: July 2020

AbstractDensity functional theory (DFT) is the standard formalism to study the electronic structure of matter at the atomic scale. In Kohn–Sham DFT simulations, the balance between accuracy and computational cost depends on the choice of exchange and correlation functional, which only exists in approximate form. Here, we propose a framework to create density functionals using supervised machine learning, termed NeuralXC. These machine-learned functionals are designed to lift the accuracy of baseline functionals towards that provided by more accurate methods while maintaining their efficiency. We show that the functionals learn a meaningful representation of the physical information contained in the training data, making them transferable across systems. A NeuralXC functional optimized for water outperforms other methods characterizing bond breaking and excels when comparing against experimental results. This work demonstrates that NeuralXC is a first step towards the design of a universal, highly accurate functional valid for both molecules and solids.
Zika virus vertical transmission in children with confirmed antenatal exposure
Authors: Brasil Patrícia , Vasconcelos Zilton , Kerin Tara , Gabaglia Claudia Raja , Ribeiro Ieda P. , Bonaldo Myrna C. , Damasceno Luana , Pone Marcos V. , Pone Sheila , Zin Andrea , Tsui Irena , Adachi Kristina , Pereira Jose Paulo , Gaw Stephanie L. , Carvalho Liege , Cunha Denise C. , Guida Leticia , Rocha Mirza , Cherry James D. , Wang Lulan , Aliyari Saba , Cheng Genhong , Foo Suan-Sin , Chen Weiqiang , Jung Jae , Brickley Elizabeth , Moreira Maria Elisabeth L. , Nielsen-Saines Karin 
Published: July 2020

AbstractWe report Zika virus (ZIKV) vertical transmission in 130 infants born to PCR+ mothers at the time of the Rio de Janeiro epidemic of 2015–2016. Serum and urine collected from birth through the first year of life were tested by quantitative reverse transcriptase polymerase chain reaction (PCR) and/or IgM Zika MAC-ELISA. Four hundred and seven specimens are evaluated; 161 sera tested by PCR and IgM assays, 85 urines by PCR. Sixty-five percent of children (N = 84) are positive in at least one assay. Of 94 children tested within 3 months of age, 70% are positive. Positivity declines to 33% after 3 months. Five children are PCR+ beyond 200 days of life. Concordance between IgM and PCR results is 52%, sensitivity 65%, specificity 40% (positive PCR results as gold standard). IgM and serum PCR are 61% concordant; serum and urine PCR 55%. Most children (65%) are clinically normal. Equal numbers of children with abnormal findings (29 of 45, 64%) and normal findings (55 of 85, 65%) have positive results, p = 0.98. Earlier maternal trimester of infection is associated with positive results (p = 0.04) but not clinical disease (p = 0.98). ZIKV vertical transmission is frequent but laboratory confirmed infection is not necessarily associated with infant abnormalities.
Improving viability of leukemia cells by tailoring shell fluid rheology in constricted microcapillary
Authors: Nooranidoost Mohammad , Kumar Ranganathan 
Published: July 2020

AbstractEncapsulated cell therapy has shown great potential in the treatment of several forms of cancer. Microencapsulation of these cancer cells can protect the core from the harmful effects of the neighboring cellular environment and can supply nutrients and oxygen. Such an encapsulation technique ensures cell viability and enables targeted drug delivery in cancer therapy. The cells immobilized with a biocompatible shell material can be isolated from the ambient and can move in constricted microcapillary. However, transportation of these cells through the narrow microcapillary may squeeze and mechanically damage the cells which threaten the cell viability. The cell type, conditions and the viscoelastic properties of the shell can dictate cell viability. A front-tracking numerical simulation shows that the engineered shell material with higher viscoelasticity improves the cell viability. It is also shown that low cortical tension of cells can contribute to lower cell viability.
Age and morphology of posterior communicating artery aneurysms
Authors: Zhang Jian , Can Anil , Lai Pui Man Rosalind , Mukundan Srinivasan , Castro Victor M. , Dligach Dmitriy , Finan Sean , Yu Sheng , Gainer Vivian S. , Shadick Nancy A. , Savova Guergana , Murphy Shawn N. , Cai Tianxi , Weiss Scott T. , Du Rose 
Published: July 2020

AbstractRisk of intracranial aneurysm rupture could be affected by geometric features of intracranial aneurysms and the surrounding vasculature in a location specific manner. Our goal is to investigate the morphological characteristics associated with ruptured posterior communicating artery (PCoA) aneurysms, as well as patient factors associated with the morphological parameters.
Three-dimensional morphological parameters in 409 patients with 432 PCoA aneurysms diagnosed at the Brigham and Women’s Hospital and Massachusetts General Hospital between 1990 and 2016 who had available CT angiography (CTA) or digital subtraction angiography (DSA) were evaluated. Morphological parameters examined included aneurysm wall irregularity, presence of a daughter dome, presence of hypoplastic or aplastic A1 arteries and hypoplastic or fetal PCoA, perpendicular height, width, neck diameter, aspect and size ratio, height/width ratio, and diameters and angles of surrounding parent and daughter vessels. Univariable and multivariable statistical analyses were performed to determine the association of morphological parameters with rupture of PCoA aneurysms. Additional analyses were performed to determine the association of patient factors with the morphological parameters. Irregular, multilobed PCoA aneurysms with larger height/width ratios and larger flow angles were associated with ruptured PCoA aneurysms, whereas perpendicular height was inversely associated with rupture in a multivariable model. Older age was associated with lower aspect ratio, with a trend towards lower height/width ratio and smaller flow angle, features that are associated with a lower rupture risk. Morphological parameters are easy to assess and could help in risk stratification in patients with unruptured PCoA aneurysms. PCoA aneurysms diagnosed at older age have morphological features associated with lower risk.
Characterization of multicellular breast tumor spheroids using image data-driven biophysical mathematical modeling
Authors: Bowers Haley J. , Fannin Emily E. , Thomas Alexandra , Weis Jared A. 
Published: July 2020

AbstractMulticellular tumor spheroid (MCTS) systems provide an in vitro cell culture model system which mimics many of the complexities of an in vivo solid tumor and tumor microenvironment, and are often used to study cancer cell growth and drug efficacy. Here, we present a coupled experimental-computational framework to estimate phenotypic growth and biophysical tumor microenvironment properties. This novel framework utilizes standard microscopy imaging of MCTS systems to drive a biophysical mathematical model of MCTS growth and mechanical interactions. By extending our previous in vivo mechanically-coupled reaction–diffusion modeling framework we developed a microscopy image processing framework capable of mechanistic characterization of MCTS systems. Using MDA-MB-231 breast cancer MCTS, we estimated biophysical parameters of cellular diffusion, rate of cellular proliferation, and cellular tractions forces. We found significant differences in these model-based biophysical parameters throughout the treatment time course between untreated and treated MCTS systems, whereas traditional size-based morphometric parameters were inconclusive. The proposed experimental-computational framework estimates mechanistic MCTS growth and invasion parameters with significant potential to assist in better and more precise assessment of in vitro drug efficacy through the development of computational analysis methodologies for three-dimensional cell culture systems to improve the development and evaluation of antineoplastic drugs.
Increased levels of conjugated bile acids are associated with human bile reflux gastritis
Authors: Zhao Aihua , Wang Shouli , Chen Wenlian , Zheng Xiaojiao , Huang Fengjie , Han Xiaolong , Ge Kun , Rajani Cynthia , Huang Yanxia , Yu Herbert , Zhu Jinshui , Jia Wei 
Published: July 2020

AbstractBile acids (BAs) play essential roles in facilitating lipid digestion and absorption in the intestine. Gastric BAs were attributed to abnormal refluxing from duodenal compartments and correlated with the occurrence of gastric inflammation and carcinogenesis. However, the differences in gastric BAs between physiologically compromised and healthy individuals have not been fully investigated. In this study, gastric juice was collected from patients clinically diagnosed as gastritis with/without bile reflux and healthy subjects for BA profiles measurements. As a result, we found that the conjugated BAs became prominent components in bile reflux juice, whereas almost equal amounts of conjugated and unconjugated BAs existed in non-bile reflux and healthy juice. To investigate whether gastric BA changes were regulated by hepatic BA synthesis, C57BL/6J mice were intervened with GW4064/resin to decrease/increase hepatic BA synthesis. The results revealed that changes of gastric BAs were coordinated with hepatic BA changes. Additionally, gastric BAs were detected in several healthy mammals, in which there were no obvious differences between the conjugated and unconjugated BAs. Pigs were an exception. Thus, increased levels of conjugated BAs are associated with human bile reflux gastritis. Gastric conjugated BAs could become a panel of biomarkers to facilitate diagnosis of pathological bile reflux.
Bone turnover markers in serum but not in saliva correlate with bone mineral density
Authors: Kerschan-Schindl Katharina , Boschitsch Ewald , Marculescu Rodrig , Gruber Reinhard , Pietschmann Peter 
Published: July 2020

AbstractSaliva was proposed as a diagnostic tool for systemic diseases. Here we determined the correlation of bone turnover markers in saliva, bone turnover markers in serum and bone mineral density in postmenopausal osteoporotic and healthy women. Forty postmenopausal osteoporotic and 40 age-matched healthy non-osteoporotic females were recruited for this case–control study. Serum and stimulated saliva levels of osteocalcin, N-terminal propeptide of type I collagen, bone-specific alkaline phosphatase and cross-linked-C-telopeptide of type I collagen were determined. Bone mineral density of the lumbar spine, proximal femur, and total hip were obtained. We show that osteocalcin and cross-linked-C-telopeptide of type I collagen (CTX) reached detectable levels in saliva while N-terminal propeptide of type I collagen and alkaline phosphatase were close or below the detection limit. Serum levels of bone turnover markers were significantly higher than saliva levels. Correlation analysis revealed a strong correlation of serum osteocalcin and, to a lesser extent, also serum CTX values with bone mineral density in lumbar spine, femoral neck, or total hip, respectively. There was, however, no significant correlation of bone mineral density with the respective bone turnover markers in saliva. There was a trend that saliva osteocalcin correlates with femoral neck (p = 0.16) or total hip (p = 0.06). There was also no association between serum and saliva bone turnover markers. This study reveals that saliva cannot replace the withdrawal of serum to evaluate bone metabolism.
High formin binding protein 17 (FBP17) expression indicates poor differentiation and invasiveness of ductal carcinomas
Authors: Suman Prabhat , Mishra Sarthak , Chander Harish 
Published: July 2020

AbstractFormin binding protein 17 (FBP17) belongs to Cdc-42 interacting protein 4 subfamily of F-BAR proteins. Recently, we had reported that FBP17 was overexpressed in invasive breast cancer cells and interacts with the actin regulatory proteins. We also reported that FBP17 promotes invadopodia formation and enhances extracellular matrix degradation. The current study determines FBP17 expression in invasive ductal carcinomas (IDCs) using breast cancer tissue microarrays (TMAs) (82 IDCs with variable receptor status and 8 Normal adjacent tissues) and its correlation with the clinico-pathological features. Immunohistochemistry of human breast cancer TMAs showed the significant elevation in the levels of FBP17 in breast cancer tissues than the normal (p ≤ 0.0001). Interestingly, FBP17 had a higher expression in invasive molecular subtypes HER2 and TNBC (p ≤ 0.05). Similarly, tumors with lymph node positive status showed elevated FBP17 expression in HER2 and TNBC subtypes (p ≤ 0.05). Surprisingly, grade 3 tumors demonstrated higher FBP17 expression (p ≤ 0.01) indicating its role in poorly differentiated tumors. Together, the data demonstrates the overexpression of FBP17 in invasive and poorly differentiated tumors. Understanding the role of FBP17 in poor differentiation and invasion of tumors in molecular subtypes at various level might represent as a potential molecular target against the disease.
Prevalence of sacroiliitis and acute and structural changes on MRI in patients with psoriatic arthritis
Authors: Braga Marcio Vale , de Oliveira Samily Cordeiro , Vasconcelos Antonio Helder Costa , Lopes Jailson Rodrigues , de Macedo Filho Carlos Leite , Ramos Lysiane Maria Adeodato , Rodrigues Carlos Ewerton Maia 
Published: July 2020

AbstractSacroiliac joint involvement is one of the earliest manifestations of psoriatic arthritis (PsA). Magnetic resonance imaging (MRI) is a useful tool in the early diagnosis of axial disease due to its sensitivity for detecting acute and chronic changes associated with sacroiliitis. In this study, we evaluated the prevalence of sacroiliitis, acute and structural image changes on MRI in PsA patients and identified predictive clinical, laboratory and disease activity factors. Cross-sectional study on PsA patients submitted to MRI of the sacroiliac joints. The scans were evaluated by two blinded radiologists and the level of agreement was calculated (kappa). Clinical, disease activity and quality-of-life indices (DAS28, BASDAI, PASI, MASES, HAQ, CRP, ESR) were estimated. The sample consisted of 45 PsA patients with a mean age of 50.1 ± 11.5 years. The prevalence of sacroiliitis was 37.8% (n = 17), 47% of which was unilateral. The kappa coefficient was 0.64. Only 5 (29.4%) of the 17 patients with sacroiliitis on MRI had back pain. The most prevalent acute and chronic changes on MRI were, respectively, subchondral bone edema (26.7%) and enthesitis (20%), periarticular erosions (26.7%) and fat metaplasia (13.3%). CRP levels were higher among sacroiliitis patients (p = 0.028), and time of psoriasis was positively associated with chronic lesions (p = 0.006). Sacroiliitis on MRI was highly prevalent in our sample of PsA patients. Raised CRP levels were significantly associated with sacroiliitis, and longer time of psoriasis was predictive of chronic sacroiliitis lesions. Most sacroiliitis patients displayed no clinical symptoms.
Bladder outlet obstruction disrupts circadian bladder function in mice
Authors: Kitta Takeya , Chiba Hiroki , Kanno Yukiko , Hattori Tsuyoshi , Higuchi Madoka , Ouchi Mifuka , Togo Mio , Takahashi Yui , Michishita Mai , Kitano Tatsuya , Shinohara Nobuo 
Published: July 2020

AbstractThe circadian clock programs daily rhythms and coordinates multiple behavioural processes, including micturition. Partial bladder outlet obstruction (pBOO) in mice produces hyperactive voiding. However, long-term effects of pBOO on bladder function have not been clarified. In this study, we investigated micturition under conditions of impaired circadian bladder function by inducing long-term pBOO by tying the proximal urethra. Micturition behavior was evaluated at 1, 3, 6 and 12 months after surgery. We used automated voided stain on paper method for a precise micturition recording for mice. And quantitative assessment of gene expression was performed at 24 months after pBOO surgery using qRT-PCR procedure. The micturition frequencies in the pBOO group were significantly decreased at 3, 6, and 12 months compared to those at 1 month after operation in the same group (p < 0.05). Body weight of pBOO mice was significantly increased compared to sham operated mice at 12 months. The expression level of mRNA was exhibited a 3.4-fold nominal increased for a 5-HT2B receptor in the pBOO group compared to the sham group. The current study found that long-term pBOO led to disruption of the circadian bladder function (the day/night cycle) in mice, similar to those observed in human as nocturia. This disruption is possible involvement of the gain of body weight and/or serotonergic alteration after pBOO.
Effect of A/T/N imaging biomarkers on impaired odor identification in Alzheimer's disease
Authors: Baek Min Seok , Cho Hanna , Lee Hye Sun , Lee Jae Hoon , Ryu Young Hoon , Lyoo Chul Hyoung 
Published: July 2020

AbstractOdor identification ability may serve as an important diagnostic biomarker in Alzheimer’s disease (AD). The aim of the study is to investigate the contribution of A/T/N neuroimaging biomarkers to impaired odor identification ability in the Alzheimer’s disease spectrum. In 127 participants, we compared A/T/N neuroimaging biomarkers between normosmia and hyposmia groups, and performed correlation analysis between the biomarkers and Cross-Cultural Smell Identification Test (CCSIT) scores. Additionally, path analysis for odor identification ability was performed using cognitive function as a mediator. In between-group comparison, individuals with hyposmia showed higher frequency of amyloid-β (Aβ) positivity, and lower neuropsychological test performance than those with normosmia. After correction for covariates including total cognition scores, there was no difference in the Aβ or tau burden between the normosmia and hyposmia groups, and no correlation between CCSIT scores and Aβ or tau burden. Meanwhile, cortical volumes in the lateral and medial temporal cortices were smaller in the hyposmia group and decreased with the worsening of CCSIT scores. Path analysis showed that only neurodegeneration had a direct effect on odor identification, while Aβ and tau burden contributed to odor identification with the mediation of cognition. In the Alzheimer’s disease spectrum, impaired odor identification ability may be attributable to neurodegeneration rather than the direct effect of Aβ or tau burden.
Realization of a motility-trap for active particles
Authors: Jahanshahi Soudeh , Lozano Celia , Liebchen Benno , Löwen Hartmut , Bechinger Clemens 
Published: July 2020

AbstractTrapping of atomic and mesoscopic particles with optical fields is a practical technique employed in many research disciplines. Developing similar trapping methods for self-propelled, i.e. active, particles is, however, challenging due to the typical anisotropic material composition of Janus-type active particles. This renders their trapping with magneto-optical fields to be difficult. Here we present the realization of a motility-trap for active particles, which only exploits their self-propulsion properties. By combining experiments, numerical simulations, and theory, we show that, under appropriate conditions, a force-free rotation of the self-propulsion direction towards the trap's center can be achieved, which results in an exponential localization of active particles. Because this trapping mechanism can be applied to any propulsion scheme, we expect such motility-tweezers to be relevant for fundamental studies of self-driven objects as well as for their applications as autonomous microrobots.
Frakturen des distalen Radius
Authors: Konrads Christian , Gonser Christoph , Bahrs Christian 
Published: July 2020

ZusammmenfassungDie distale Radiusfraktur ist die häufigste Fraktur des Menschen. Das optimale Management dieser Verletzung erfordert umfassende Kenntnisse und Fähigkeiten hinsichtlich geschlossener und offener Repositionsmanöver, Gipstechnik und verschiedener Osteosynthesetechniken. Typische, aber auch seltene Begleitverletzungen müssen erkannt und in das Behandlungsregime einbezogen werden.
Second-Look Ultrasound Using Shear-Wave Elastography in MRI-Suspected Locoregional Recurrence of Breast Carcinoma
Authors: Divjak Eugen , Ivanac Gordana , Radović Niko , Biondić Špoljar Iva , Sović Slavica , Bahnik Valentina , Brkljačić Boris 
Published: July 2020

Abstract
Purpose To investigate if second-look US using shear-wave elastography (SWE) can help to differentiate between benign and malignant changes in the postoperative breast after surgical treatment of breast carcinoma.
Materials and Methods SWE and related sonographic features were reviewed in 90 female patients with a history of surgical treatment of breast carcinoma and a suspicious lesion detected on a follow-up MRI scan. A single experienced radiologist performed all second-look US exams with SWE measurements placing a circular region of interest measuring 2 mm in diameter over the stiffest part of the lesion. Tissue samples for histopathological analysis were obtained during the same US examination via core-needle biopsy.
Results Out of 90 lesions, 39 were proven malignant on histopathological analysis. 50 % of malignant lesions had Elmax values ranging from 128 to 199 kPa, and 50 % of benign lesions had Elmax values ranging from 65 to 169 kPa. The cut-off value of 171.2 kPa for Elmax shows a sensitivity of 59 % and specificity of 78.4 % for carcinoma recurrence, area under the curve 0.706 (CI95 % 0.6–0.81), P = 0.001. In univariate logistic models, restricted diffusion and stiffness on SWE, Elmax > 171.2 kPa, were shown as significant recurrence predictors. In the multivariate model, restricted diffusion remains significant independent recurrence predictor. With a recurrence prevalence of 43 %, the test sensitivity is 95 % (CI95 % 81–99 %) and the specificity is 75 % (CI95 % 60–85 %).
Conclusion Stiffer lesions should be considered suspicious on second-look US in the postoperative breast and SWE can be a helpful tool in identifying malignant lesions, especially if this is related to restricted diffusion on MRI exam. Lesion stiffness, however, should not be considered as an independent predictor of lesion malignancy in the postoperative breast, because of benign changes that can appear stiff on SWE, as well as carcinoma recurrences that may appear soft.
95 Jahre Universitäts-Hautklinik Jena – eine persönliche Betrachtung
Authors: Elsner P. 
Published: July 2020

ZusammenfassungDie 95-jährige Geschichte der Universitäts-Hautklinik Jena ist nicht nur eine Geschichte dermatologischer Leistungen in Krankenversorgung, Forschung und Lehre. Sie ist auch eine Geschichte der Menschen, die diese Leistungen unter 3 politischen Systemen in Deutschland erbrachten und die Klinik gestalteten. Im historischen Rückblick wird deutlich, dass maßgebliche Repräsentanten der Klinik während des Nationalsozialismus in dessen Unrechtsregime verstrickt waren. Dies sollte Mahnung für nachgeborene Generationen sein, über ihre unmittelbare Verantwortung für die akademische Dermatologie hinaus wachsam zu bleiben gegenüber Einschränkungen von ärztlicher Freiheit und Grundrechten, aktuell durch die zunehmende Dominanz der Ökonomie in der Medizin.