bluuebunny/crossref_metadata_2025_split huggingface dataset:
A density functional theory study on the atmospheric reaction ofCH3O2withHS: Mechanism and kinetics
Authors: Zhang Shiguo , Zhang Yan , Zhang Yun , Feng Ziyan , Wang Caihong , Bian He , Chen Jinshe 
Published: June 2020

AbstractThe reaction mechanism of CH3O2and HS was systematically investigated by density functional theory (DFT). Six singlet pathways and seven triplet ones are located on the potential surface (PES). The result indicates that the main products are CH3O and HSO both on the singlet and triplet PES, different from the CH3O2+ OH reaction. Moreover, deformation density (ρdef) and atoms in molecules (AIM) analyses were carried out to further uncover the nature of chemical bonding evolution in the primary pathways. Furthermore, reaction rate constants were calculated in the temperature range from 200 to 1000 K using the transition state theory with the Wigner and Eckart tunneling corrections. Our results can shed light on the title reaction and offer instructions for analogous atmospheric reactions, as well as experimental research in the future.
Confined Nano‐NMR Spectroscopy Using NV Centers
Authors: Cohen D. , Nigmatullin R. , Eldar M. , Retzker A. 
Published: June 2020

AbstractNano nuclear magnetic resonance (nano‐NMR) spectroscopy with nitrogen‐vacancy (NV) centers holds the potential to provide high‐resolution spectra of minute samples. This is likely to have important implications for chemistry, medicine, and pharmaceutical engineering. One of the main hurdles facing the technology is that diffusion of unpolarized liquid samples broadens the spectral lines thus limiting resolution. Experiments in the field are therefore impeded by the efforts involved in achieving high polarization of the sample which is a challenging endeavor. Here, a scenario where the liquid is confined to a small volume is examined. It is shown that the confinement “counteracts” the effect of diffusion, thus overcoming a major obstacle to the resolving abilities of the NV‐NMR spectrometer.
Development of an analytical method to exclude the effect of decomposition on carbon and nitrogen stable isotope ratios using muscle samples collected from stranded narrow‐ridged finless porpoise (Neophocaena asiaeorientalis)
Authors: Furuyama Ayuma , Yodo Taiga , Funasaka Noriko , Wakabayashi Ikuo , Oike Tatsuya , Yoshioka Motoi 
Published: June 2020

RationaleCarbon and nitrogen stable isotope ratios (i.e., δ13C and δ15N values) in soft tissues of cetaceans are reported to change on decomposition. Care should be taken when determining the values using samples collected from dead‐stranded cetaceans. We have developed a new analytical method to exclude the effect of decomposition on δ13C and δ15N values using muscles from narrow‐ridged finless porpoises (Neophocaena asiaeorientalis).MethodsThe muscles from 53 fresh (bycatch and live‐stranded individuals) and 213 dead‐stranded individuals were analyzed by isotope ratio mass spectrometry combined with an elemental analyzer. The carbon and nitrogen content was compared between fresh and dead‐stranded samples to investigate any decrease in the content with decomposition. In dead‐stranded samples, the effect of changes in the carbon and nitrogen content and the C:N ratio (carbon/nitrogen) on δ13C and δ15N values was predicted by the generalized additive model (GAM).ResultsThe carbon and nitrogen content (mean ± SE) in the muscles of fresh samples was 0.462 ± 0.0019 mg/mg and 0.147 ± 0.0005 mg/mg, respectively, while the content of dead‐stranded samples was lower: carbon: 0.441 ± 0.0033 mg/mg and nitrogen: 0.135 ± 0.0012 mg/mg. When using the GAM, knowledge of the carbon and nitrogen content and the C:N ratio improved the prediction precision.ConclusionsPrediction by the GAM showed changes in δ13C and δ15N values with a change in carbon and nitrogen content. The effect of decomposition can be excluded in statistical analysis of stranded samples by using samples with carbon and nitrogen content and C:N ratio equivalent to those of fresh samples or by using the carbon and nitrogen content and C:N ratio as an explanatory variable in the GAM.
Is romantic partner betrayal a form of traumatic experience? A qualitative study
Authors: Lonergan Michelle , Brunet Alain , Rivest‐Beauregard Marjolaine , Groleau Danielle 
Published: June 2020

AbstractAccording to a growing body of research, betrayal by a romantic partner is increasingly considered as a form of interpersonal trauma. Between 30% and 60% of betrayed individuals experience symptoms of post‐traumatic stress disorder (PTSD), depression and anxiety to clinically meaningful levels. From a clinical perspective, this constellation of symptoms can be conceptualized as a stressor‐related adjustment disorder. Yet, no qualitative research has examined the association between romantic betrayal and traumatic stress from the perspective of betrayed individuals. Face‐to‐face semi‐structured interviews were conducted with 13 participants who had completed a clinical trial for a new treatment for adjustment disorder stemming from betrayal. Data were analysed using thematic content analysis. Although betrayal was experienced as a shocking and destabilizing event, and participants used trauma or ‘feeling traumatized’ as a metaphor to describe their experience, few had constructed their reaction as traumatic stress. In fact, participants reported experiencing difficulties understanding the intensity of their experience. However, when exposed to external sources (e.g., books and interviews by psychologists and researchers) that used a trauma and PTSD framework to explain the effects of betrayal, participants reported feeling clarity, validation and relief. Findings are discussed in the light of theoretical and clinical implications.
Cohort discovery and risk stratification for Alzheimer's disease: an electronic health record‐based approach
Authors: Tjandra Donna , Migrino Raymond Q. , Giordani Bruno , Wiens Jenna 
Published: June 2020

AbstractBackgroundWe sought to leverage data routinely collected in electronic health records (EHRs), with the goal of developing patient risk stratification tools for predicting risk of developing Alzheimer's disease (AD).MethodUsing EHR data from the University of Michigan (UM) hospitals and consensus‐based diagnoses from the Michigan Alzheimer's Disease Research Center, we developed and validated a cohort discovery tool for identifying patients with AD. Applied to all UM patients, these labels were used to train an EHR‐based machine learning model for predicting AD onset within 10 years.ResultsApplied to a test cohort of 1697 UM patients, the model achieved an area under the receiver operating characteristics curve of 0.70 (95% confidence interval = 0.63‐0.77). Important predictive factors included cardiovascular factors and laboratory blood testing.ConclusionRoutinely collected EHR data can be used to predict AD onset with modest accuracy. Mining routinely collected data could shed light on early indicators of AD appearance and progression.
Examination of heavy flooding over the desert state of Rajasthan in India
Authors: Mishra Anoop K. , Nagaraju Vanganuru , Meer Mohammad S. 
Published: June 2020

Abstract online onlyMultiple days with periods of torrential rain in Rajasthan (an arid state of India) during July and August 2019 resulted in extreme flooding in several districts, causing heavy damage to lives and property. The research described in this short communication examines this flood event using observations from satellite data. Baran, Bhilwara, Pali, Jhalawar, Jodhpur, Kota, Udaipur, Dungarpur and Banswara districts of Rajasthan were severely affected. Banswara, Dungarpur, Pali, Bhilwara, Kota and Jhalawar districts of Rajasthan received a cumulative rainfall total in excess of 1000mm for July and August 2019. Peak precipitation was in excess of 300mm day−1 on 15–16 August 2019 over some of these districts. Pali district recorded maximum rainfall rates in excess of 50mmh−1 on 15th and 16th August at 0630 utc and 0500 utc, respectively. Over a few of the regions of these districts, rainfall totals were in excess of 150% of the normal during July–August 2019, resulting in flash flooding. We also report that severe flood events are on the rise in recent decades over Rajasthan. Therefore, a proper flood management strategy is required to combat the risk of future flood disasters.
Co‐enhanced activated sludge system by static magnetic field and two halotolerant yeasts for azo dye treatment
Authors: Tang Wenjing , Zhou Bihui , Xing Kexin , Tan Liang 
Published: June 2020

AbstractThe effect of static magnetic field (SMF) on azo dye Acid Red B (ARB) decolorization by the co‐culture of activated sludge (AS) and two halotolerant yeasts Candida tropicalis A1 and Pichia occidentalis A2 was investigated. Microbial community structure of the co‐cultures before and after treatment with SMFs of different intensity was analyzed through high‐throughput sequencing and quantitative real‐time polymerase chain reaction. The results showed that ARB decolorization efficiency by the defined co‐culture was 1.25‐fold to 1.51‐fold elevated by 24.6–305.0 mT SMF. The best ARB decolorization and chemical oxygen demand (COD) removal performances by the co‐culture were both achieved with 95.0 mT SMF. By contrast, biomass multiplication and sedimentation property of AS systems were not significantly influenced by SMF. Higher activities of intracellular key enzymes were determined (with 95.0 mT SMF) as responsible for better decolorization and COD removal performances. Bacteria belonging to Prolixibacter, Corynebacterium, Pelagibacterium, Demequina, and Sphingobacterium which might be responsible for azo dye decolorization and aromatic compounds biodegradation were significantly enriched only in presence of SMF. Fungal genera Candida and Pichia were also significantly enriched by 41.4–305.0 mT SMF, which might be responsible for higher treatment efficiency.Practitioner points

Dye degradation was enhanced by combination of static magnetic field and yeasts.

Improvement of enzyme activity was responsible for better treatment performance.

Putative azo‐degrading‐related bacteria and fungi were selectively enriched.

High relative abundance of Candida and Pichia ensured high decolorization effects.

Potentially effective improvement of bioprocesses for treating hypersaline wastewater.
Scaling Genomics Data Processing with Memory-Driven Computing to Accelerate Computational Biology
Authors: Becker Matthias , Worlikar Umesh , Agrawal Shobhit , Schultze Hartmut , Ulas Thomas , Singhal Sharad , Schultze Joachim L. 
Published: June 2020

AbstractResearch is increasingly becoming data-driven, and natural sciences are not an exception. In both biology and medicine, we are observing an exponential growth of structured data collections from experiments and population studies, enabling us to gain novel insights that would otherwise not be possible. However, these growing data sets pose a challenge for existing compute infrastructures since data is outgrowing limits within compute. In this work, we present the application of a novel approach, Memory-Driven Computing (MDC), in the life sciences. MDC proposes a data-centric approach that has been designed for growing data sizes and provides a composable infrastructure for changing workloads. In particular, we show how a typical pipeline for genomics data processing can be accelerated, and application modifications required to exploit this novel architecture. Furthermore, we demonstrate how the isolated evaluation of individual tasks misses significant overheads of typical pipelines in genomics data processing.
Pattern-Aware Staging for Hybrid Memory Systems
Authors: Arima Eishi , Schulz Martin 
Published: June 2020

AbstractThe ever increasing demand for higher memory performance and—at the same time—larger memory capacity is leading the industry towards hybrid main memory designs, i.e., memory systems that consist of multiple different memory technologies. This trend, however, naturally leads to one important question: how can we efficiently utilize such hybrid memories? Our paper proposes a software-based approach to solve this challenge by deploying a pattern-aware staging technique. Our work is based on the following observations: (a) the high-bandwidth fast memory outperforms the large memory for memory intensive tasks; (b) but those tasks can run for much longer than a bulk data copy to/from the fast memory, especially when the access pattern is more irregular/sparse. We exploit these observations by applying the following staging technique if the accesses are irregular and sparse: (1) copying a chunk (few GB of sequential data) from large to fast memory; (2) performing a memory intensive task on the chunk; and (3) writing it back to the large memory. To check the regularity/sparseness of the accesses at runtime with negligible performance impact, we develop a lightweight pattern detection mechanism using a helper threading inspired approach with two different Bloom filters. Our case study using various scientific codes on a real system shows that our approach achieves significant speed-ups compared to executions with using only the large memory or hardware caching: 3$$\times $$ or 41% speedups in the best, respectively.
The IITM Model: A Simple and Expressive Model for Universal Composability
Authors: Küsters Ralf , Tuengerthal Max , Rausch Daniel 
Published: June 2020

AbstractThe universal composability paradigm allows for the modular design and analysis of cryptographic protocols. It has been widely and successfully used in cryptography. However, devising a coherent yet simple and expressive model for universal composability is, as the history of such models shows, highly non-trivial. For example, several partly severe problems have been pointed out in the literature for the UC model. In this work, we propose a coherent model for universal composability, called the IITM model (“Inexhaustible Interactive Turing Machine”). A main feature of the model is that it is stated without a priori fixing irrelevant details, such as a specific way of addressing of machines by session and party identifiers, a specific modeling of corruption, or a specific protocol hierarchy. In addition, we employ a very general notion of runtime. All reasonable protocols and ideal functionalities should be expressible based on this notion in a direct and natural way, and without tweaks, such as (artificial) padding of messages or (artificially) adding extra messages. Not least because of these features, the model is simple and expressive. Also the general results that we prove, such as composition theorems, hold independently of how such details are fixed for concrete applications. Being inspired by other models for universal composability, in particular the UC model and because of the flexibility and expressivity of the IITM model, conceptually, results formulated in these models directly carry over to the IITM model.
Single-nucleotide polymorphisms in a vancomycin-resistant Staphylococcus aureus strain based on whole-genome sequencing
Authors: Kim Jung Wook , Lee Kwang Jun 
Published: June 2020

AbstractThe emergence of vancomycin-resistant Staphylococcus aureus (VRSA) threatens global health. The mechanism of vancomycin resistance of VRSA without vanA gene acquisition was not fully elucidated. Therefore, we aimed to determine the mechanism of vancomycin resistance of VRSA besides that by vanA gene acquisition. In this study, we obtained vancomycin-resistant strains (V036-V64; MIC = 64 µg /ml) from susceptible strain (V036; MIC = 0.5 µg /ml) by exposure of vancomycin in vitro and examined the phenotypic characteristics and antibiotic susceptibility profiles of the resistant strain (V036-V64). To identify the genetic variations caused vancomycin resistance, we determined the complete genome sequences of V036 and V036-V64 and analyzed for single-nucleotide polymorphisms (SNPs) between two strains. Morphologically, V036-V64 had a twofold thicker cell wall compared with V036. Linezolid, rifampicin, and ceftaroline had similar MIC ranges against V036-V64 and V036, but V036-V64 showed lower susceptibilities to daptomycin and telavancin. We detected eight single-nucleotide polymorphisms differing between V036-V64 and V036: rimM (G16D), ssaA2 (G128A), rpsK (P60R), rpoB (R917C), walK (T492R), d-alanyl-d-alanine carboxypeptidase (L307I), vraT (A152V), and chromosome segregation ATPase (T440I). This study demonstrates that, under selective pressure, by the accumulation of mutations in genes related to cell wall synthesis, vancomycin-susceptible S. aureus can develop thicker cell walls and, hence, develop high vancomycin resistance. Thus, we highlight a novel vanA-negative mechanism for VRSA emergence.
A simple mechanistic terminology of psychoactive drugs: a proposal
Authors: Seifert Roland , Schirmer Bastian 
Published: June 2020

AbstractAntidepressants, antiepileptics, mood stabilizers, and antipsychotics are extremely broadly used psychoactive drugs. These drug terms are universally used in the literature. However, the indications of these drugs have broadened substantially and overlap. The mismatch between drug classification and clinical uses causes a lot of confusion in communication and renders literature searches increasingly difficult. Therefore, we propose to drop the above terms altogether and replace them by simple mechanistic terms. Antidepressants are re-named as norepinephrine/serotonin (NE/5-HT) enhancers, antiepileptics comprising drugs with different mechanisms become neuronal inhibitors with pleiotropic effects (NIPEs), and antipsychotics become antagonists at multiple G protein–coupled receptors (mGPCR antagonists). Alkali metal ions, comprising lithium, are integrated into NIPEs. The terms “typical/first-generation/conventional” and “atypical/second-generation/non-conventional” antipsychotics should be dropped, because the original criterion for distinction, i.e., the presence and absence of extrapyramidal motor effects, respectively, is not valid anymore. The suggested changes in drug nomenclature have already been implemented into a recent textbook (Seifert R, Basic Knowledge of Pharmacology). The revised nomenclature ensures consistency with other fields of pharmacology and assignment of drug classes to indications without causing confusion. The authors acknowledge that the change in drug nomenclature is a cultural process that will take time and openly discuss the problems associated with the proposal. Ultimately, international learned societies will have to agree on a new nomenclature.
Clinical evaluation of [18F] JNJ-64326067, a novel candidate PET tracer for the detection of tau pathology in Alzheimer’s disease
Authors: Schmidt Mark E. , Janssens Luc , Moechars Diederik , Rombouts Frederik J. R. , Timmers Maarten , Barret Olivier , Constantinescu Cristian C. , Madonia Jennifer , Russell David S. , Sandiego Christine M. , Kolb Hartmuth 
Published: June 2020

Abstract
Purpose
The accumulation of misfolded tau is a common feature of several neurodegenerative disorders, with Alzheimer’s disease (AD) being the most common. Earlier we identified JNJ-64326067, a novel isoquinoline derivative with high affinity and selectivity for tau aggregates from human AD brain. We report the dosimetry of [18F] JNJ-64326067 and results of a proof-of-concept study comparing subjects with probable Alzheimer’s disease to age-matched healthy controls.

Methods
[18F] JNJ-64326067 PET scans were acquired for 90 min and then from 120 to 180 min in 5 participants with [18F]-florbetapir PET amyloid positive probable AD (73 ± 9 years) and 5 [18F]-florbetapir PET amyloid negative healthy controls (71 ± 7 years). Whole-body [18F] JNJ-64326067 PET CT scans were acquired in six healthy subjects for 5.5 h in 3 scanning sessions. Brain PET scans were visually reviewed. Regional quantification included kinetic analysis of distribution volume ration (DVR) estimated by Logan graphical analysis over the entire scan and static analysis of SUVr in late frames. Both methods used ventral cerebellar cortex as a reference region.

Results
One of the healthy controls had focal areas of PET signal in occipital and parietal cortex underlying the site of a gunshot injury as an adolescent; the other four healthy subjects had no tau brain signal. Four of the 5 AD participants had visually apparent retention of [18F] JNJ-64326067 in relevant cortical regions. One of the AD subjects was visually negative. Cortical signal in visually positive subjects approached steady state by 120 min. Temporal and frontal cortical SUVr/DVR values in visually positive AD subjects ranged from 1.21 to 3.09/1.2 to 2.18 and from 0.92 to 1.28/0.91 to 1.16 in healthy controls. Whole-body effective dose was estimated to be 0.0257 mSv/MBq for females and 0.0254 mSv/MBq for males.

Conclusions
[18F] JNJ-64326067 could be useful for detection and quantitation of tau aggregates.
Presenting symptoms in children with neurofibromatosis type 2
Authors: Gugel Isabel , Grimm Florian , Teuber Christian , Zipfel Julian , Tatagiba Marcos , Mautner Victor-Felix , Schuhmann Martin Ulrich , Kluwe Lan 
Published: June 2020

Abstract
Purpose
The hallmark of neurofibromatosis type 2 (NF2) is the presence of bilateral vestibular schwannomas (VS) which however have not yet developed or grown to large size in children and young adolescents. Therefore, early diagnosis in pediatric patients without family history of NF2 has to be made by signs and symptoms not related to VS which will be reviewed in this study.

Methods
A total of 70 children diagnosed for NF2 at an age of < 18 years were identified from our patient cohort. Age and symptoms, signs and pathology at symptom onset, age at NF2 diagnosis and symptoms leading to diagnosis as well as genetic findings were retrospectively reviewed.

Results
The average age at symptom/sign onset was 8 ± 6 (range 0–17) years and 11 ± 5 (range 1–17) years at time of diagnosis. Fifteen children had a positive family history and were diagnosed upon additional clinical symptoms. The most frequent first presenting symptom/signs were ophthalmological abnormalities (49%), followed by cutaneous features (40%), non-VS-related neurological deficits (33%), and symptoms attributable to VS (21%). VS were not only the most common symptomatic neoplasm but also the most frequent pathological evidence for the diagnosis (72%). In 42 patients with available genetic testing results, pathogenic mutations were most frequently identified (n = 27).

Conclusion
The presenting symptoms in NF2 children appear “unspecific” or less specific for classical NF2 compared with adult NF2 patients, posing a challenge particularly for cases without family history. In children, ophthalmological and cutaneous features should raise clinical suspicion for NF2 and referral to an NF2 specialized center is recommended.