bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of encapsulating a probiotic (Pediococcus pentosaceus Li05) within gastro-responsive microgels on Clostridium difficile infections
Authors: Xie Jiaojiao , Yao Mingfei , Lu Yanmeng , Yu Mengjia , Han Shengyi , McClements David J. , Xiao Hang , Li Lanjuan
Published: February 2021

Encapsulated Li05 within a gastro-responsive microgel controlled release in intestine and enhanced its efficacy against CDI.
Porphyromonas gingivalis: where do we stand in our battle against this oral pathogen?
Authors: Howard Kaitlind C. , Gonzalez Octavio A. , Garneau-Tsodikova Sylvie
Published: February 2021

Local and/or systemic antibacterial therapy has been extensively studied and suggested to control periodontopathogens likeP. gingivalis. However, more effective and specific antibacterial agents against oral pathobionts remain to be developed.
The construction of a dual direct Z-scheme NiAl LDH/g-C3N4/Ag3PO4 nanocomposite for enhanced photocatalytic oxygen and hydrogen evolution
Authors: Megala S. , Ravi P. , Maadeswaran P. , Navaneethan M. , Sathish M. , Ramesh R.
Published: February 2021

Dual direct Z-scheme photocatalysts for overall water decomposition have demonstrated strong redox abilities and the efficient separation of photogenerated electron–hole pairs.
Stiffening of DU145 prostate cancer cells driven by actin filaments – microtubule crosstalk conferring resistance to microtubule-targeting drugs
Authors: Kubiak Andrzej , Chighizola Matteo , Schulte Carsten , Bryniarska Natalia , Wesołowska Julita , Pudełek Maciej , Lasota Małgorzata , Ryszawy Damian , Basta-Kaim Agnieszka , Laidler Piotr , Podestà Alessandro , Lekka Małgorzata
Published: February 2021

Cell stiffening induced by anticancer microtubule targeting drugs (MTDs) such as vinflunine (VFL), colchicine (COL), and docetaxel (DTX) can be driven by crosstalk between actin filaments and microtubules.
Copper nanoclusters: designed synthesis, structural diversity, and multiplatform applications
Authors: Baghdasaryan Ani , Bürgi Thomas
Published: February 2021

Small copper nanoclusters (CuNCs) with atomic precisions and fascinating molecular-like properties have been discovered during last few decades. They have been widely applied for catalytic, biomedical, sensing, and optoelectronic applications.
Accurate electronic properties and non-linear optical response of two-dimensional MA2Z4
Authors: Yang Jia-Shu , Zhao Luneng , LI Shi-Qi , Liu Hongsheng , Wang Lu , Chen Maodu , Gao Junfeng , Zhao Jijun
Published: February 2021

The band gap/work function difference between PBE and HSE06 is 26%–101%/4%–18%, implying HSE06 level calculation is highly required. The photon energy-dependent second-order non-linear coefficients indicate extraordinary SHG response fromMA2Z4.
Peroxide- and transition metal-free electrochemical synthesis of α,β-epoxy ketones
Authors: Zhang Mengxun , Chen Tie , Fang Shisong , Wu Weihua , Wang Xin , Wu Haiqiang , Xiong Yongai , Song Jun , Li Chenyang , He Zhendan , Lee Chi-Sing
Published: February 2021

A novel electrochemical method for the synthesis of α,β-epoxy ketones is reported.
Electrohalogenation of organic compounds
Authors: Scheide Marcos R. , Nicoleti Celso R. , Martins Guilherme M. , Braga Antonio L.
Published: February 2021

In this review we target sp, sp2and sp3carbon fluorination, chlorination, bromination and iodination reactions using electrolysis as a redox medium. Mechanistic insights and substrate reactivity are also discussed.
Preparation of multi-functional polyamide vitrimers via the Ugi four-component polymerization and oxime-promoted transcarbamoylation reaction
Authors: Guo Zijian , Wang Wenyan , Yang Yumin , Majeed Kashif , Zhang Baoliang , Zhou Fengtao , Zhang Qiuyu
Published: February 2021

In order to control the relationship between the polymer structure and performance, multi-component reactions (MCRs) have been used to adjust the properties of polymers due to their high atom utilization and structural designability.
Equivalence between inverted regions of the energy gap law and inverted regions of donor–acceptor distances in photoinduced electron transfer processes in flavoproteins
Authors: Nunthaboot Nadtanet , Taniguchi Seiji , Chosrowjan Haik , Tanaka Fumio
Published: February 2021

Relationship between EXDL and SEGL.
Real-time imaging of nanoscale electrochemical Ni etching under thermal conditions
Authors: Tan Shu Fen , Reidy Kate , Klein Julian , Pinkowitz Ainsley , Wang Baoming , Ross Frances M.
Published: February 2021

The combination of electrochemical analysis, temperature control and in situ TEM imaging directly probes the etching of Ni from bimetallic Ni–Pt nanoparticles.
Ceria-promoted Co@NC catalyst for biofuel upgrade: synergy between ceria and cobalt species
Authors: Wang Bowei , Gao Ruixiao , Zhang Dan , Zeng Yuyao , Zhang Fangying , Yan Xilong , Li Yang , Chen Ligong
Published: February 2021

Ceria is introduced to promote the activity of Co@NC. HDO of vanillin can be catalyzed by Co/Ce@NC either using H2 or ethanol as the H donor.
Mass transport-enhanced electrodeposition of Ni–S–P–O films on nickel foam for electrochemical water splitting
Authors: Marquez-Montes Raul A. , Kawashima Kenta , Son Yoon Jun , Weeks Jason A. , Sun H. Hohyun , Celio Hugo , Ramos-Sánchez Víctor H. , Mullins C. Buddie
Published: February 2021

A reproducible and efficient electrodeposition method in a 3D-printed flow cell is used to synthesize high-quality Ni–S–P–O films on nickel foam for overall water splitting.
Pollen grains as a low-cost, green, alternative sorbent for hydrophilic solid-phase extraction
Authors: Li Jing , Cho Hae Yoon , Kwon Sung Won , Lee Seul Ji
Published: February 2021

Many natural products have demonstrated functionality as novel, green sorbents for organic compounds.
Direct analysis of aromatic pollutants using a HPLC-FLD/DAD method for monitoring biodegradation processes
Authors: Aydin Dilan Camille , Zamudio Pineres Julian , Al-Manji Fatma , Rijnaarts Huub , Grotenhuis Tim
Published: February 2021

A single step analysis method for the quantification of 11 different aromatic compound in aqueous samples by use of HPLC-FLD/DAD.
Convergent chemoenzymatic synthesis and biological evaluation of a heparan sulfate proteoglycan syndecan-1 mimetic
Authors: Gao Jia , Xu Yongmei , Liu Jian , Huang Xuefei
Published: February 2021

A new convergent chemoenzymatic synthesis strategy has been established to efficiently synthesize a mimetic of structurally well-defined heparan sulfate proteoglycan syndecan-1 glyco-polypeptide at a milligram scale to enable biological studies.
Two-dimensional WS2/MoS2 heterostructures: properties and applications
Authors: Chen Yichuan , Sun Mengtao
Published: February 2021

The successful fabrication of WS2/MoS2 heterostructures provides more possibilities for optoelectronic and thermoelectric applications than graphene because of their direct bandgap characteristics.
A versatile approach to the synthesis of glycans containing mannuronic acid residues
Authors: Alex Catherine , Visansirikul Satsawat , Demchenko Alexei V.
Published: February 2021

Reported herein is a highly stereocontrolled synthesis of α or β-glycosides of mannuronic acid from glycosyl donors equipped with the 3-O-benzoyl or 3-O-picoloyl group, respectively.
Biodegradable all polyester-based multiblock copolymer elastomers with controlled properties
Authors: Li Hongjuan , Xu Siyuan , Li Jing , Tu Yanyan , Li Xiaohong , Tu Yingfeng , Li Jianhua , Wang Yatao , Li Zhiping
Published: February 2021

A cascade polymerization method is developed here for the synthesis of environmentally-friendly biodegradable all polyester-based thermoplastic elastomers with tunable properties.
Solvent and catalyst-free modification of hyperbranched polyethyleneimines by ring-opening-addition or ring-opening-polymerization of N-sulfonyl aziridines
Authors: Li Zhunxuan , Chen Rui , Wang Ying , Zhu Linlin , Luo Wenyi , Zhang Zhen , Hadjichristidis Nikos
Published: February 2021

Ring-opening (polymerization) of N-sulfonyl aziridines with PEI under solvent/catalyst-free conditions allows the atom-economic synthesis of amphiphilic alkylated PEIs and luminescent PEI-graft-polysulfonamide.
Conformational fingerprinting of tau variants and strains by Raman spectroscopy
Authors: Devitt George , Crisford Anna , Rice William , Weismiller Hilary A. , Fan Zhanyun , Commins Caitlin , Hyman Bradley T. , Margittai Martin , Mahajan Sumeet , Mudher Amrit
Published: February 2021

We report that the physiochemical properties of the aggregation environment dictate the conformation of tau strains, which can be characterized and distinguished using Raman spectroscopy.
Long-lived triplet charge-separated state in naphthalenediimide based donor–acceptor systems
Authors: Aster Alexander , Rumble Christopher , Bornhof Anna-Bea , Huang Hsin-Hua , Sakai Naomi , Šolomek Tomáš , Matile Stefan , Vauthey Eric
Published: February 2021

Ultrafast electron transfer from singlet and triplet excited states in equilibrium results in the population of both singlet and triplet charge-separated states.
Correction: Co–Mo–P carbon nanospheres derived from metal–organic frameworks as a high-performance electrocatalyst towards efficient water splitting
Authors: Li Nan , Guan Yi , Li Yongliang , Mi Hongwei , Deng Libo , Sun Lingna , Zhang Qianling , He Chuanxin , Ren Xiangzhong
Published: February 2021

Correction for ‘Co–Mo–P carbon nanospheres derived from metal–organic frameworks as a high-performance electrocatalyst towards efficient water splitting’ by Nan Li et al., J. Mater. Chem. A, 2021, 9, 1143–1149, DOI: 10.1039/D0TA10426D.
Clinicopathological and prognostic significance of osteopontin expression in patients with prostate cancer: a systematic review and meta-analysis
Authors: Yu Anze , Guo Kai , Qin Qilin , Xing Changsheng , Zu Xiongbing
Published: February 2021

Background: Evaluation of the feasibility for osteopontin (OPN) to serve as a biomarker in the prognosis and clinical-pathological features of prostate cancer (PCA) patients.

Methods: The original publications related to OPN and PCA were comprehensively searched in the online databases, including PubMed, Embase, Cochrane Library, Web of Science, Medline, Wanfang and China National Knowledge Infrastructure up to August 2019. Results were analyzed by Revman 5.3 and Stata 12.0.

Results: A total of 21 studies were included in the analysis and the result showed that the positive OPN expression group had a lower overall survival than the negative expression group (univariate: hazards ratio (HR) = 2.32, 95% confidence interval (95% CI) [1.74, 3.10], multivariate: HR = 2.41, 95% CI [1.63, 3.57]) and a lower biochemical relapse-free survival than the negative group (univariate: HR = 1.42, 95% CI [0.92, 2.17], multivariate: HR = 1.61, 95% CI [1.39, 1.87]). In addition, there was a higher expression level of OPN in PCA tissues than in normal prostate tissues (OR = 46.55, 95% CI [12.85, 168.59], P<0.00001) and benign prostatic hyperplasia (BPH) tissues (OR = 11.07, 95% CI [3.43, 35.75], P<0.0001). Moreover, OPN positive expression was also related to high Gleason score (OR = 2.64, 95% CI [1.49, 4.70], P=0.0009), high TNM stage (OR = 3.15, 95% CI [1.60, 6.20, P=0.0009), high Whitmore–Jewett stage (OR = 2.53, 95% CI [1.06, 6.03], P=0.04), high lymph node (OR = 3.69, 95% CI [1.88, 7.23], P=0.0001), and distant metastasis (OR = 8.10, 95% CI [2.94, 22.35], P=0.01). There was no difference observed in the differentiation of PCA (OR = 1.79, 95% CI [0.39, 8.33], P=0.46).

Conclusion: OPN could be recognized as a promising diagnostic and prognostic biomarker for PCA patients.
A novel DNA methylation-based model that effectively predicts prognosis in hepatocellular carcinoma
Authors: Hao Xiang-Yong , Li An-Qiang , Shi Hao , Guo Tian-Kang , Shen Yan-Fei , Deng Yuan , Wang Li-Tian , Wang Tao , Cai Hui
Published: February 2021

Purpose: To build a novel predictive model for hepatocellular carcinoma (HCC) patients based on DNA methylation data.

Methods: Four independent DNA methylation datasets for HCC were used to screen for common differentially methylated genes (CDMGs). Gene Ontology (GO) enrichment, and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were used to explore the biological roles of CDMGs in HCC. Univariate Cox analysis and least absolute shrinkage and selection operator (LASSO) Cox analysis were performed to identify survival-related CDMGs (SR-CDMGs) and to build a predictive model. The importance of this model was assessed using Cox regression analysis, propensity score-matched (PSM) analysis and stratification analysis. A validation group from the Cancer Genome Atlas (TCGA) was constructed to further validate the model.

Results: Four SR-CDMGs were identified and used to build the predictive model. The risk score of this model was calculated as follows: risk score = (0.01489826 × methylation level of WDR69) + (0.15868618 × methylation level of HOXB4) + (0.16674959 × methylation level of CDKL2) + (0.16689301 × methylation level of HOXA10). Kaplan–Meier analysis demonstrated that patients in the low-risk group had a significantly longer overall survival (OS; log-rank P-value =0.00071). The Cox model multivariate analysis and PSM analysis identified the risk score as an independent prognostic factor (P<0.05). Stratified analysis results further confirmed this model performed well. By analyzing the validation group, the results of receiver operating characteristic (ROC) curve analysis and survival analysis further validated this model.

Conclusion: Our DNA methylation-based prognosis predictive model is effective and reliable in predicting prognosis for patients with HCC.
Structural dynamics of ABC transporters: molecular simulation studies
Authors: Furuta Tadaomi
Published: February 2021

The biological activities of living organisms involve various inputs and outputs. The ATP-driven substances (biomolecules) responsible for these kinds of activities through membrane (i.e. uptake and efflux of substrates) include ATP-binding cassette (ABC) transporters, some of which play important roles in multidrug resistance. The basic architecture of ABC transporters comprises transmembrane domains (TMDs) and nucleotide-binding domains (NBDs). The functional dynamics (substrate transport) of ABC transporters are realized by concerted motions, such as NBD dimerization, mechanical transmission via coupling helices (CHs), and the translocation of substrates through TMDs, which are induced by the binding and/or hydrolysis of ATP molecules and substrates. In this mini-review, we briefly discuss recent progresses in the structural dynamics as revealed by molecular simulation studies at all-atom (AA), coarse-grained (CG), and quantum mechanics/molecular mechanics (QM/MM) levels.
Sympathetic neural responses in heart failure during exercise and after exercise training
Authors: Notarius Catherine F. , Floras John S.
Published: February 2021

The sympathetic nervous system coordinates the cardiovascular response to exercise. This regulation is impaired in both experimental and human heart failure with reduced ejection fraction (HFrEF), resulting in a state of sympathoexcitation which limits exercise capacity and contributes to adverse outcome. Exercise training can moderate sympathetic excess at rest. Recording sympathetic nerve firing during exercise is more challenging. Hence, data acquired during exercise are scant and results vary according to exercise modality. In this review we will: (1) describe sympathetic activity during various exercise modes in both experimental and human HFrEF and consider factors which influence these responses; and (2) summarise the effect of exercise training on sympathetic outflow both at rest and during exercise in both animal models and human HFrEF. We will particularly highlight studies in humans which report direct measurements of efferent sympathetic nerve traffic using intraneural recordings. Future research is required to clarify the neural afferent mechanisms which contribute to efferent sympathetic activation during exercise in HFrEF, how this may be altered by exercise training, and the impact of such attenuation on cardiac and renal function.
Improved probabilistic decision‐based trimmed median filter for detection and removal of high‐density impulsive noise
Authors: Sen Amit Prakash , Rout Nirmal Kumar
Published: February 2021

This study focuses on the detection and expulsion of noisy pixels from an image contaminated by impulsive noise. A noise detection approach is developed to avoid the misinterpretation of noise‐free pixel as noisy. In order to design the noise removal algorithm, a probabilistic decision‐based improved trimmed median filter (PDITMF) algorithm is proposed which is intended to work out the conflict related to the even number of noise‐free pixels in the trimmed median filter. It deploys two new estimation techniques for de‐noising, namely, improved trimmed median filter (ITMF) and patch else ITMF (PEITMF) as per noise density. At last, the noise detection approach is applied in the proposed PDITMF to build up a new technique called a probabilistic decision‐based adaptive improved trimmed median filter (PDAITMF) algorithm. The proposed algorithms, PDITMF and PDAITMF experiment with many standard sample images. Simulation results show the proposed algorithms are capable of detecting and de‐noising the contaminated image very efficiently and have a better visual representation. Under the authors' knowledge, the PDAITMF outperforms recently reported algorithms in context to peak signal‐to‐noise ratio as well as an image enhancement factor with the lower execution time at all noise densities.
Internal water storage capacity of terrestrial planets and the effect of hydration on theM-Rrelation
Authors: Shah O. , Alibert Y. , Helled R. , Mezger K.
Published: February 2021

Context.The discovery of low density exoplanets in the super-Earth mass regime suggests that ocean planets could be abundant in the galaxy. Understanding the chemical interactions between water and Mg-silicates or iron is essential for constraining the interiors of water-rich planets. Hydration effects have, however, been mostly neglected by the astrophysics community so far. As such effects are unlikely to have major impacts on theoretical mass-radius relations, this is justified as long as the measurement uncertainties are large. However, upcoming missions, such as the PLATO mission (scheduled launch 2026), are envisaged to reach a precision of up to ≈3 and ≈10% for radii and masses, respectively. As a result, we may soon enter an area in exoplanetary research where various physical and chemical effects such as hydration can no longer be ignored.

Aims.Our goal is to construct interior models for planets that include reliable prescriptions for hydration of the cores and mantles. These models can be used to refine previous results for which hydration has been neglected and to guide future characterization of observed exoplanets.

Methods.We have developed numerical tools to solve for the structure of multi-layered planets with variable boundary conditions and compositions. Here we consider three types of planets: dry interiors, hydrated interiors, and dry interiors plus surface ocean, where the ocean mass fraction corresponds to the mass fraction of the H2O equivalent in the hydrated case.

Results.We find H and OH storage capacities in the hydrated planets equivalent to 0−6 wt% H2O corresponding to up to ≈800 km deep ocean layers. In the mass range 0.1 ≤M∕M⊕≤ 3, the effect of hydration on the total radius is found to be ≤2.5%, whereas the effect of separation into an isolated surface ocean is ≤5%. Furthermore, we find that our results are very sensitive to the bulk composition.
Looking through the photoionisation wake: Vela X−1 at φorb ≈ 0.75 with Chandra/HETG
Authors: Amato R. , Grinberg V. , Hell N. , Bianchi S. , Pinto C. , D’Aí A. , Del Santo M. , Mineo T. , Santangelo
Published: February 2021

Context. The supergiant X-ray binary Vela X−1 represents one of the best astrophysical sources to investigate the wind environment of an O/B star irradiated by an accreting neutron star. Previous studies and hydrodynamic simulations of the system have revealed a clumpy environment and the presence of two wakes: an accretion wake surrounding the compact object and a photoionisation wake trailing it along the orbit.

Aims. Our goal is to conduct, for the first time, high-resolution spectroscopy on Chandra/HETGS data at the orbital phase φorb ≈ 0.75, when the line of sight is crossing the photoionisation wake. We aim to conduct plasma diagnostics, inferring the structure and the geometry of the wind.

Methods. We performed a blind search employing a Bayesian block algorithm to find discrete spectral features and identify them thanks to the most recent laboratory results or through atomic databases. Plasma properties were inferred both with empirical techniques and with photoionisation models within CLOUDY and SPEX.

Results. We detect and identify five narrow radiative recombination continua (Mg XI-XII, Ne IX-X, O VIII) and several emission lines from Fe, S, Si, Mg, Ne, Al, and Na, including four He-like triplets (S XV, Si XIII, Mg XI, and Ne IX). Photoionisation models reproduce the overall spectrum well, except for the near-neutral fluorescence lines of Fe, S, and Si.

Conclusions. We conclude that the plasma is mainly photoionised, but more than one component is most likely present, which is consistent with a multi-phase plasma scenario, where denser and colder clumps of matter are embedded in the hot, photoionised wind of the companion star. Simulations with the future X-ray satellites Athena and XRISM show that a few hundred seconds of exposure is sufficient to disentangle the lines of the Fe Kα doublet and the He-like Fe XXV, improving, in general, the determination of the plasma parameters.
Physical Fitness and Health-related Quality of Life in Patients with Colorectal Cancer
Authors: Soares-Miranda Luisa , Lucia Alejandro , Silva Marco , Peixoto Armando , Ramalho Rosa , da Silva Pedro Correia , Mota Jorge , Macedo Guilherme , Abreu Sandra
Published: February 2021

Colorectal cancer is now a frequently treatable illness for most and a
chronic disease for many. The number of people living with a diagnosis of
colorectal cancer is thus expected to rise. Yet even after successful
treatment, colorectal cancer survivors, mostly the elderly, frequently
experience health problems and impaired health-related quality of life. We
investigated the cross-sectional association between physical fitness,
measured with the 6-min walk test, 30-second chair-stand test, and isometric
handgrip strength, as well as health-related quality of life, in a cohort of
colorectal cancer patients (n=71, mean [SD] age 67±10 years,
63% men; 35, 39 and 25% in stages I, II and III,
respectively). Greater performance in the 6-minute walk test and 30-second
chair-stand test was associated with higher levels of global health status
(p<0.001, p=0.001 respectively), higher functioning
(p<0.001) and lower levels of symptomatology (p<0.001; pain
and fatigue). Additionally, greater 6-min walk test performance was
associated with a better cognitive function (p=0.005). Our results
suggest that greater aerobic fitness and lower-extremity muscle strength are
cross-sectionally associated with higher levels of global health status,
higher functioning and lower levels of symptomatology such as pain and
fatigue in colorectal cancer patients.
Apalutamid bei Patienten mit einem Hochrisiko-M0CRPC: Daten der Zulassungsstudie SPARTAN und erste Erfahrungen aus einem Härtefallprogramm
Authors: Hellmis Eva , Schwentner Christian , Mandel Philipp , Banek Séverine , Gleißner Jochen , Bögemann Martin
Published: February 2021

Das nicht-fernmetastasierte kastrationsresistente Prostatakarzinom (M0CRPC) ist mit einem erhöhten Progressions- und Mortalitätsrisiko verbunden, vor allem wenn eine schnelle Verdopplungszeit des Prostata-spezifischen Antigens (PSADT ≤ 10 Monate) vorliegt. Schreitet die Krankheit weiter voran und entsteht ein metastasiertes (m) CRPC, nehmen Progressions- und Mortalitätsrisiko weiter zu. Für die Therapie des Hochrisiko-M0CRPCs stehen die Androgenrezeptor-Inhibitoren Apalutamid, Darolutamid und Enzalutamid, jeweils in Kombination mit einer Androgendeprivationstherapie (ADT), zur Verfügung.

Die Ergebnisse der Zulassungsstudie SPARTAN zeigen, dass Apalutamid + ADT das metastasenfreie Überleben (MFS) und somit auch die Entstehung eines mCRPCs bei diesen Patienten hinauszögern kann. Vor Zulassung von Apalutamid in der Europäischen Union war der Wirkstoff im Rahmen eines internationalen Härtefallprogramms auch in Deutschland verfügbar. Insgesamt haben in Deutschland 109 Patienten aus 50 Zentren teilgenommen. Länger als 3 Monate wurden 45 Patienten, länger als 6 Monate 13 Patienten behandelt. Das Härtefallprogramm läuft in einigen Ländern weiter, weltweit wurden 556 Patienten aufgenommen.

Unsere Erfahrungen mit dieser Real-World-Population zeigten ein gutes PSA-Ansprechen, so wie es auch in der SPARTAN-Studie bei diesem explorativen Endpunkt gezeigt wurde. Auch hinsichtlich des Verträglichkeitsprofils konnten wir keine deutlichen Unterschiede zur Zulassungsstudie feststellen.

Apalutamid war in Kombination mit einer ADT auch in dieser Real-World-Patientenpopulation wirksam und konnte zu einem raschen PSA-Abfall führen. Dabei unterschied sich das Verträglichkeitsprofil nicht von dem in der SPARTAN-Studie.
The Prognostic Potential of Atrial Natriuretic Peptide on the Development of Postoperative Atrial Fibrillation after Cardiac Surgery
Authors: Hofer Felix , Hammer Andreas , Steininger Matthias , Kazem Niema , Koller Lorenz , Steinlechner Barbara , Laufer Günther , Andreas Martin , Marculescu Rodrig , Hengstenberg Christian , Wojta Johann , Niessner Alexander , Sulzgruber Patrick
Published: February 2021

Background Postoperative atrial fibrillation (POAF) represents a common complication after cardiac surgery associated with major adverse events and poor patient outcome. Tools for risk stratification of this arrhythmia remain scarce. Atrial natriuretic peptide (ANP) represents an easily assessable biomarker picturing atrial function and strain; however, its prognostic potential on the development of POAF has not been investigated so far.

Methods Within the present investigation, 314 patients undergoing elective cardiac surgery were prospectively enrolled. Preoperative mid-region proANP (MR-proANP) values were assessed before the surgical intervention. Patients were followed prospectively and continuously screened for the development of arrhythmic events.

Results A total of 138 individuals (43.9%) developed POAF. Median concentrations of MR-proANP were significantly higher within the POAF group (p < 0.001). MR-proANP showed a strong association with the development of POAF with a crude odds ratio (OR) of 1.68 per 1 standard deviation (1-SD; 95% confidence interval [CI]: 1.31–2.15; p < 0.001), which remained stable after comprehensive adjustment for confounders with an adjusted OR of 1.74 per 1-SD (95% CI: 1.17–2.58; p = 0.006). The discriminatory power of MR-proANP for the development of POAF was validated by the category-free net reclassification improvement (0.23 [95% CI: 0.0349–0.4193]; p = 0.022) and integrated discrimination increment (0.02 [95% CI: 0.0046–0.0397], p = 0.013).

Conclusion MR-proANP proved to be a strong and independent predictor of the development of POAF. Considering a personalized diagnostic and prognostic preoperative work-up, a standardized preoperative evaluation of MR-proANP levels might help to identify patients at risk for development of POAF after cardiac surgery.
Evaluation of the American Society of Anesthesiologists Physical Status Classification System in Risk Assessment for Lower Extremity Reconstruction with Free Tissue Transfer
Authors: Steinebach Rabanus , Maldonado Andrés A. , Morillo M. Carmen , Sauerbier Michael
Published: February 2021

Background The applicability of free flap reconstruction for lower extremity (LE) defects in high-risk patients continues to require ongoing review. The aim of this study was to analyze the risk factors, management, and outcome of LE free flap reconstruction in high-risk (American Society of Anesthesiologists [ASA] class 3 or 4) patients.

Methods A retrospective chart review was performed for all patients who underwent LE reconstruction in our Institution (Level I Trauma Center) from 2013 to 2019. Medical records and the authors' prospectively maintained database were analyzed with respect to ASA class, comorbidities, and postoperative complications. All patients were treated using the same pre-, intra-, and postoperative multidisciplinary approach.

Results A total of 199 patients were analyzed. Sixty-six flaps were transferred in 60 patients with an ASA class 3 or higher. High-risk patients did not present a higher rate of flap loss or LE amputation. The overall flap success rate was 92%. There were five flap losses in high-risk patients. Three of these five patients underwent a successful second free flap reconstruction. The overall success rate of LE reconstruction in high-risk patients was 90%. Four patients with successful free flap ended up in LE amputation due to bone infection and two patients underwent an amputation after the first free flap failure.

Conclusion Free flap reconstruction for LE defects in high-risk patients is a safe and reliable procedure for selected patients when an experienced multidisciplinary team is involved. Bone infection was the only variable associated with LE amputation.
Devitalized Autograft Associated with the Vascularized Fibula Graft: Irradiation versus Freezing Methods
Authors: Rezende Luis Guilherme Rosifini Alves , Margatho Guilherme Leipner , Penno Ricardo Alberto Lupinacci , Mazzer Nilton , Engel Edgard Eduard
Published: February 2021

Background Among the alternatives for the management of malignant bone tumors is the “devitalized autograft associated with vascularized fibula graft.” The devitalization process is achieved by pasteurization, irradiation, or freezing. The combination of these grafts has been broadly researched for more than 25 years. However, there is no research currently published comparing the various methods or their respective outcomes.

Methods A retrospective study was compiled of 26 devitalized autografts associated with vascularized fibula performed to limb salvage of malignant bone tumors. They were divided into two groups according to the devitalization method: either freezing (12 procedures) or irradiation (14 procedures). Clinical, radiographic, and scintigraphic results were assessed at least 24 months after surgery.

Results The union rates reached 83.3% in the freezing group and 92.8% in the irradiated group but did not express different outcomes. Scintigraphic viability was observed in all the grafts that achieved radiographic union (Mann–Whitney U-test: p = 0.005). Three patients had nonunion, with only one having no viability in the scintigraphy (Mann–Whitney U-test: p = 0.001). There was no malignant recurrence in the autograft, only in surrounding soft tissues. Local recurrence was statistically higher in larger tumors (Mann–Whitney U-test: p = 0.025).

Conclusion Both groups presented similar union rates and are considered safe to devitalize bone graft despite different outcomes observed. The survivor rates observed could be limited by the existence of the techniques.
Atlantic Ocean science diplomacy in action: the pole-to-pole All Atlantic Ocean Research Alliance
Authors: Polejack Andrei , Gruber Sigi , Wisz Mary S.
Published: February 2021

The ocean provides important ecosystem services to society, but its health is in crisis due to the impacts of human activities. Ocean sustainability requires ambitious levels of scientific evidence to support governance and management of human activities that impact the ocean. However, due to the size, complexity and connectivity of the ocean, monitoring and data collection presupposes high investments, and nations need to cooperate to deliver the ambitious, costly science that is required to inform decisions. Here, we highlight the role that ocean science diplomacy plays in facilitating the science needed to support ocean governance and management from domestic, regional to international scales in the Atlantic region via the All Atlantic Ocean Research Alliance. This Alliance is supported by the Galway Statement (2013), the South–South Framework for Scientific and Technical Cooperation in the South and Tropical Atlantic and the Southern Oceans (2017), and the Belém Statement (2017). We discuss the national and international interests that drove the processes of negotiating these agreements, as well as their challenges to date. We also discuss the potential future of the All Atlantic Alliance, as well as its significance in emerging global initiatives such as the UN Decade of Ocean Science for Sustainable Development (2021–2030).
Piezoelectric and magneto-elastic effects in a quantum paramagnet
Authors: Zvyagin A. A. , Zvyagina G. A.
Published: February 2021

Electric, piezoelectric, and elastic characteristics of the orthorhombic quantum paramagnet are calculated. Using the exact analytical solution it was shown that the electric permittivity, piezoelectric, and elastic modules can manifest strong dependences on the values of the external magnetic, electric field, external strain, and temperature.
Positive maps and trace polynomials from the symmetric group
Authors: Huber Felix
Published: February 2021

With techniques borrowed from quantum information theory, we develop a method to systematically obtain operator inequalities and identities in several matrix variables. These take the form of trace polynomials: polynomial-like expressions that involve matrix monomials Xα1,…,Xαr and their traces tr(Xα1,…,Xαr). Our method rests on translating the action of the symmetric group on tensor product spaces into that of matrix multiplication. As a result, we extend the polarized Cayley–Hamilton identity to an operator inequality on the positive cone, characterize the set of multilinear equivariant positive maps in terms of Werner state witnesses, and construct permutation polynomials and tensor polynomial identities on tensor product spaces. We give connections to concepts in quantum information theory and invariant theory.
Iterative integral equation methods for structural coarse-graining
Authors: Bernhardt Marvin P. , Hanke Martin , van der Vegt Nico F. A.
Published: February 2021

In this paper, new Newton and Gauss–Newton methods for iterative coarse-graining based on integral equation theory are evaluated and extended. In these methods, the potential update is calculated from the current and target radial distribution function, similar to iterative Boltzmann inversion, but gives a potential update of quality comparable with inverse Monte Carlo. This works well for the coarse-graining of molecules to single beads, which we demonstrate for water. We also extend the methods to systems that include coarse-grained bonded interactions and examine their convergence behavior. Finally, using the Gauss–Newton method with constraints, we derive a model for single bead methanol in implicit water, which matches the osmotic pressure of the atomistic reference. An implementation of all new methods is provided for the open-source VOTCA package.
Spin relaxation in radical pairs from the stochastic Schrödinger equation
Authors: Fay Thomas P. , Lindoy Lachlan P. , Manolopoulos David E.
Published: February 2021

We show that the stochastic Schrödinger equation (SSE) provides an ideal way to simulate the quantum mechanical spin dynamics of radical pairs. Electron spin relaxation effects arising from fluctuations in the spin Hamiltonian are straightforward to include in this approach, and their treatment can be combined with a highly efficient stochastic evaluation of the trace over nuclear spin states that is required to compute experimental observables. These features are illustrated in example applications to a flavin–tryptophan radical pair of interest in avian magnetoreception and to a problem involving spin-selective radical pair recombination along a molecular wire. In the first of these examples, the SSE is shown to be both more efficient and more widely applicable than a recent stochastic implementation of the Lindblad equation, which only provides a valid treatment of relaxation in the extreme-narrowing limit. In the second, the exact SSE results are used to assess the accuracy of a recently proposed combination of Nakajima–Zwanzig theory for the spin relaxation and Schulten–Wolynes theory for the spin dynamics, which is applicable to radical pairs with many more nuclear spins. We also analyze the efficiency of trace sampling in some detail, highlighting the particular advantages of sampling with SU(N) coherent states.
Stress-controlled zero-field spin splitting in silicon carbide
Authors: Breev I. D. , Poshakinskiy A. V. , Yakovleva V. V. , Nagalyuk S. S. , Mokhov E. N. , Hübner R. , Astakhov G. V. , Baranov P. G. , Anisimov A. N.
Published: February 2021

We report the influence of static mechanical deformation on the zero-field spin splitting of silicon vacancies in silicon carbide at room temperature. We use AlN/6H-SiC heterostructures deformed by growth conditions and monitor the stress distribution as a function of distance from the heterointerface with spatially resolved confocal Raman spectroscopy. The zero-field spin splitting of the V1/V3 and V2 centers in 6H-SiC, measured by optically detected magnetic resonance, reveals significant changes at the heterointerface compared to the bulk value. This approach allows unambiguous determination of the spin-deformation interaction constant, which is 0.75 GHz/strain for the V1/V3 centers and 0.5 GHz/strain for the V2 centers. Provided piezoelectricity of AlN, our results offer a strategy to realize fine tuning of spin transition energies in SiC by deformation.
A rapid review of pre-exposure prophylaxis for HIV in the Asia–Pacific region: recommendations for scale up and future directions
Authors: Haldar Partha , Reza-Paul Sushena , Daniel Roy Arokiam , Lazarus Lisa , Rewari Bharat Bhushan , Lorway Robert , Steen R.
Published: February 2021

Decline in new HIV infections in the Asia–Pacific region (APAC) continues to be slow, emphasising the importance of scaling up new HIV prevention strategies, such as pre-exposure prophylaxis (PrEP). To help inform PrEP rollout in APAC, we conducted a rapid review of published literature on PubMed from 2015 to 2020, to assess feasibility, implementation strategies, cost-effectiveness, and availability of national policies and guidelines; for the latter, we also did an expanded Internet search. This review focussed on nine countries contributing >95% of new infections in this region. A total of 36 PrEP-related studies conducted among men who have sex with men, female sex workers, and transgender women were included, of which 29 were quantitative, six were qualitative and one was a mixed-method study. Most of the studies have addressed the availability and acceptability of PrEP, whereas cost-effectiveness of any approach was assessed by limited studies. Limited published information was available about national PrEP policies and guidelines; of the selected nine countries, five have adopted the recommended World Health Organization PrEP policy of which four have integrated it in their national HIV response. HIV risk perception concerns about safety, side-effects, stigma, and affordability were major challenges to PrEP acceptance. Community-based implementation has the potential to address these. Limited evidence suggested merging PrEP implementation with ongoing targeted intervention and treatment programs could be a cost-effective approach. To stem the epidemic, newer effective prevention strategies, like PrEP, should be urgently adopted within the context of combination HIV prevention approaches.
Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site
Authors: Conti Simone , Kaczorowski Kevin J. , Song Ge , Porter Katelyn , Andrabi Raiees , Burton Dennis R. , Chakraborty Arup K. , Karplus Martin
Published: February 2021

Significance

A solution to the global AIDS epidemic is to develop a vaccine against HIV. This has been difficult to achieve because the virus mutates rapidly, and the antibodies induced by vaccination would need to recognize many different HIV variants. We have developed a computational framework to design panels of antigens for eliciting broadly neutralizing antibodies (bnAbs) for an HIV vaccine. An important aspect of the method is its use of the gp160 fitness landscape, which measures the ability of the virus to tolerate mutations. Most designed antigens assembled as well-ordered native-like trimers with antigenic properties favorable for vaccine studies. These antigens can be used to make meaningful proposals for immunization schedules, a significant advance in HIV vaccine design.
Discovery and characterization of bromodomain 2–specific inhibitors of BRDT
Authors: Yu Zhifeng , Ku Angela F. , Anglin Justin L. , Sharma Rajesh , Ucisik Melek Nihan , Faver John C. , Li Feng , Nyshadham Pranavanand , Simmons Nicholas , Sharma Kiran L. , Nagarajan Sureshbabu , Riehle Kevin , Kaur Gundeep , Sankaran Banumathi , Storl-Desmond Marta , Palmer Stephen S. , Young Damian W. , Kim Choel , Matzuk Martin M.
Published: February 2021

Significance

There is no nonhormonal contraceptive pill for men, although hundreds of genes have been identified to play roles during spermatogenesis and fertilization in the male reproductive tract. To address the absence of contraceptive drugs for men, we established a DNA-encoded chemistry technology (DEC-Tec) platform. Our drug discovery campaign on BRDT, a validated spermatogenic-specific contraceptive target, yielded rapid discovery of potent and specific inhibitors of the second bromodomain of BRDT that have unique binding characteristics to BRDT-BD2 relative to BRDT-BD1. Our study emphasizes the robustness and validation of the DEC-Tec platform where the obtained structure–affinity relationship data would allow us to identify specific protein binders immediately without performing exhaustive medicinal chemistry optimization of compounds with potential as male contraceptives.
Cultural Linguistics and religion
Authors: Sharifian Farzad
Published: February 2021

Spiritual systems such as religions embody
particular worldviews or systems of conceptualizing life, death,
morality, creation, the life hereafter, fate, and so on. Since these
conceptualizations are more or less shared across any speech
community that believes in the same faith, religions can be viewed
as providing systems of cultural
conceptualizations. The analytical framework of Cultural
Linguistics should therefore be able to offer fruitful tools for
examining the language and conceptualizations associated with
spiritual systems. This chapter demonstrates this premise by
presenting a survey of the research on language and religion from
the perspective of Cultural Linguistics.
Cultural conceptualizations of magical practices related to
menstrual blood in a transhistorical and transcontinental
perspective
Authors: Wolf Hans-Georg
Published: February 2021

Most, if not all, of the studies in Cultural
Linguistics have (a) taken a synchronic perspective or (b) focused
on specific, intracultural conceptualizations. In my chapter, I will
look at a cluster of conceptualizations that have been found to
exist in different historical periods, in different languages and
varieties, and on different continents. The case in point is
conceptualizations of magical practices based on menstrual blood.
The existence of these conceptualizations across time and space
raises the challenging questions of their motivation, and, more
generally, the “flow of conceptualizations.” While these questions
will be pursued in my chapter, the main focus will be on an
elaboration of the conceptual network of conceptualizations
pertaining to menstrual blood magic.
Cultural conceptualizations of xejâlat and
kamruyi
Authors: Ghazi Sara
Published: February 2021

This chapter studies two
sharm-related emotion categories,
xejâlat and kamruyi, in
Persian from the perspective of Cultural Linguistics (Sharifian, 2011, 2017).
Drawing on various sources of data, namely reflective and narrative
questionnaires (N = 150), dictionaries and
encyclopedias, and online data, the present study applies analytical
and theoretical tools of Cultural Linguistics to delve into cultural
conceptualizations, including cultural metaphors and schemas of
xejâlat and kamruyi. Data
analysis reveals that xejâlat, being an internal
and a more self-oriented emotion category can be experienced and
evaluated positively and negatively, while kamruyi
is considered to be a negative emotion and a negatively evaluated
personality trait.
Correspondences between Hungarian women’s marital names and the
traditional family schema
Authors: Baranyiné Kóczy Judit
Published: February 2021

A marital name makes a statement about women’s
cultural values with respect to their family schemas. In
Hungary, adopting the husband’s full name by marriage is no longer
required, thus women have the opportunity to choose from seven
different name structures. The paper aims to uncover the motivations
behind women’s preference for marital name structures as influenced
by the traditional family schema that they maintain in
their background. Data for this analysis is extracted from a
questionnaire distributed to 533 women, which seek to obtain
information on key elements of the traditional family
schema. Results do not reveal a direct correlation between the
selection of marital names and any single component of the
traditional family schema; however, overall the results
of the survey outline a systematic correspondence between marital
names and women’s conformity or non-conformity to the
traditional family schema. In conclusion, the various
marital name structures reflect diverse family schemas, in
particular, they are representatives of Hungarian women’s different
extent of adherence to the traditional family schema.
Culture-specific elaborations in cross-linguistic studies of metaphors
Authors: Huang Shuping
Published: February 2021

Metaphorical mappings are often shaped by socio-cultural backgrounds of the speakers (Musolff, 2015; Su, 2002; Yu & Jia, 2016). In the present corpus study that compares Chinese and British English metaphors, the metaphor life is a journey specifically – ubiquitous in both languages – is found to have different elaborations. The concepts of difficulty and purpose are highlighted in Chinese metaphors, while change and progress are more salient in British English. From a cultural perspective, the preoccupation of Chinese societies with a goal-oriented life could have contributed to such differences. Beyond that, journey, the source domain from which ideas are drawn, is itself perceived in distinct ways in these two cultural contexts/speech communities. Discrete evaluations and attitudes are reflected in the metaphorical representations of life, which are mapped according to culture-specific assumptions about journey. The inextricable relations between source-internal, target-induced, and context-dependent aspects have all contributed to the diversity of conceptual metaphors.