bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Polyoxygenated Tropolones and their Antiviral Activity against Hepatitis B Virus and Herpes Simplex Virus‐1
Authors: Schiavone Daniel V. , Kapkayeva Diana M. , Li Qilan , Woodson Molly E. , Gazquez Casals Andreu , Morrison Lynda A. , Tavis John E. , Murelli Ryan P. 
Published: January 2022

AbstractPolyoxygenated tropolones possess a broad range of biological activity, and as a result are promising lead structures or fragments for drug development. However, structure–function studies and subsequent optimization have been challenging, in part due to the limited number of readily available tropolones and the obstacles to their synthesis. Oxidopyrylium [5+2] cycloaddition can effectively generate a diverse array of seven‐membered ring carbocycles, and as a result can provide a highly general strategy for tropolone synthesis. Here, we describe the use of 3‐hydroxy‐4‐pyrone‐based oxidopyrylium cycloaddition chemistry in the synthesis of functionalized 3,7‐dimethoxytropolones, 3,7‐dihydroxytropolones, and isomeric 3‐hydroxy‐7‐methoxytropolones through complementary benzyl alcohol‐incorporating procedures. The antiviral activity of these molecules against herpes simplex virus‐1 and hepatitis B virus is also described, highlighting the value of this approach and providing new structure–function insights relevant to their antiviral activity.
Nickel‐Catalyzed Arylative Cyclizations of Alkyne‐ and Allene‐Tethered Electrophiles using Arylboron Reagents
Authors: Gillbard Simone M. , Lam Hon Wai 
Published: January 2022

AbstractThe use of arylboron reagents in metal‐catalyzed domino addition–cyclization reactions is a well‐established strategy for the preparation of diverse, highly functionalized carbo‐ and heterocyclic products. Although rhodium‐ and palladium‐based catalysts have been commonly used for these reactions, more recent work has demonstrated nickel catalysis is also highly effective, in many cases offering unique reactivity and access to products that might otherwise not be readily available. This review gives an overview of nickel‐catalyzed arylative cyclizations of alkyne‐ and allene‐tethered electrophiles using arylboron reagents. The scope of the reactions is discussed in detail, and general mechanistic concepts underpinning the processes are described.
Formation of Supramolecular Nanostructures through in Situ Self‐Assembly and Post‐Assembly Modification of a Biocatalytically Constructed Dipeptide Hydrazide**
Authors: Shintani Yuki , Ohtomi Taku , Shibata Aya , Kitamura Yoshiaki , Hirosawa Koichiro M. , Suzuki Kenichi G. N. , Ikeda Masato 
Published: January 2022

AbstractAqueous self‐assembly of short peptides has attracted growing attention for the construction of supramolecular materials for various bioapplications. Herein, we describe how the thermolysin‐assisted biocatalytic construction of a dipeptide hydrazide from an N‐protected amino acid and an amino acid hydrazide leads to the formation of thermally stable supramolecular hydrogels. In addition, we demonstrate the post‐assembly modification of the supramolecular architectures constructed in situ tethering hydrazide groups as a chemical handle by means of fluorescence imaging.
Hybride semi‐parametrische Modellierung der thermooxidativen Stabilisierung von PAN‐Precursorfasern
Authors: Mädler Jonathan , Richter Benjamin , Wolz Daniel S. J. , Behnisch Thomas , Böhm Robert , Jäger Hubert , Gude Maik , Urbas Leon 
Published: January 2022

AbstractKohlenstofffasern sind aufgrund ihrer hohen massespezifischen mechanischen Belastbarkeit ein unverzichtbarer Werkstoff im Leichtbau. Diese werden mittels eines zeitaufwendigen, thermooxidativen Stabilisierungs‐ und eines inerten Carbonisierungsprozesses hergestellt. Bedingt durch die kommerziell dominierte Forschung basiert der Großteil der veröffentlichten Optimierungsansätze für diese Prozessschritte bis heute auf unvollständigen, empirischen oder nicht‐parametrischen, datengetriebenen Modellen. In der vorliegenden Arbeit werden hybride semi‐parametrische Ansätze unter Berücksichtigung der Eigenschaften des Precursorsystems und der Prozessparameter für die Modellierung des Stabilisierungsprozesses untersucht.
Omalizumab is effective in the preseasonal treatment of seasonal allergic rhinitis
Authors: Zhang Yuan , Xi Lin , Gao Yunbo , Huang Yanran , Cao Feifei , Xiong Wei , Wang Chengshuo , Zhang Luo 
Published: January 2022

AbstractBackgroundTo date no study has evaluated the efficacy of preseasonal omalizumab therapy with cost effective dose and at appropriate time point compared with standard medication in seasonal allergic rhinitis (SAR) patients.MethodsThis was a prospective randomized controlled open‐label single‐centre trial. 32 SAR patients were randomized to receive a single injection of omalizumab 300‐mg approximately two weeks before start of the pollen period (PP) or medication therapy. All patients completed daily questionnaires; recording symptoms, medication use and quality of life (QoL) throughout the observation period. The primary efficacy parameter was the mean daily Combined Symptom and Medication Score (CSMS).ResultsPreseasonal omalizumab significantly reduced the changes of mean daily CSMS of nose during the PP (p < 0.001), peak pollen period (PPP) and PP after PPP (PPP‐PP) (p = 0.002) and Post‐PP (p = 0.009) compared to standard medication. The proportion of allergy symptoms‐relieving medication‐free days during PPP‐PP was also significantly higher in preseasonal omalizumab‐treated group (76.2(16.7‐98.8))% than in medication‐treated group (19.0(0‐71.4))% (p = 0.030). Omalizumab could achieve the same nasal symptom control during the entire pollen season and better eye symptoms relieving results in PP (p = 0.046) and PPP‐PP (p = 0.004) than medication treatment. Significantly greater improvement in QoL was also obtained with omalizumab‐pretreatment during the PP (p = 0.037) and PPP‐PP (p = 0.004).ConclusionsAdministration of a single injection of 300 mg omalizumab two weeks before start of the pollen season achieves better overall control of symptoms and QoL, with significantly reduced allergy symptoms‐relieving medication usage, compared with standard pharmacotherapy in SAR patients.
DiPETrans: A framework for distributed parallel execution of transactions of blocks in blockchains
Authors: Baheti Shrey , Anjana Parwat Singh , Peri Sathya , Simmhan Yogesh 
Published: January 2022

SummaryContemporary blockchain such as Bitcoin and Ethereum execute transactions serially by miners and validators and determine the Proof‐of‐Work (PoW). Such serial execution is unable to exploit modern multi‐core resources efficiently, hence limiting the system throughput and increasing the transaction acceptance latency. The objective of this work is to increase the transaction throughput by introducing parallel transaction execution using a static analysis over the transaction dependencies. We propose the DiPETrans framework for distributed execution of transactions in a block. Here, peers in the blockchain network form a community of trusted nodes to execute the transactions and find the PoW in‐parallel, using a leader–follower approach. During mining, the leader statically analyzes the transactions, creates different groups (shards) of independent transactions, and distributes them to followers to execute concurrently. After execution, the community's compute power is utilized to solve the PoW concurrently. When a block is successfully created, the leader broadcasts the proposed block to other peers in the network for validation. On receiving a block, the validators re‐execute the block transactions and accept the block if they reach the same state as shared by the miner. Validation can also be done in parallel, following the same leader–follower approach as mining. We report experiments using over 5 million real transactions from the Ethereum blockchain and execute them using our DiPETrans framework to empirically validate the benefits of our techniques over a traditional sequential execution. We achieve a maximum speedup of 2.2 and 2.0 and an average speedup of 1.6 and 1.5 for the miner and the validator, respectively, with 100–500 transactions per block when using 6 machines in the community. Further, we achieve a peak of 5 end‐to‐end block creation speedup using a parallel miner over a serial miner.
Robustness of deep learning methods for ocular fundus segmentation: Evaluation of blur sensitivity
Authors: Petrović Veljko B. , Gojić Gorana , Dragan Dinu , Gajić Dušan B. , Horvat Nebojša , Turović Radovan , Oros Ana 
Published: January 2022

AbstractThis article analyzes the sensitivity of deep learning methods for ocular fundus segmentation. We use an empirical methodology based on non‐adversarial perturbed datasets. The research is motivated by mass screening and self‐administered tests in which AI methods are needed and may be given images with focus issues. These substandard pictures are simulated using blurring algorithms of varying designs and kernel sizes which are subjected to a test of inter‐network and inter‐dataset sensitivity using Gaussian noise as a control. We test for simulated defocusing, motion blur, and Gaussian noise. The DRIVE, CHASE, and STARE datasets were used to generate 441 synthetic datasets for testing. Analysis of the resultantn= 37,888 sample has identified anomalies illuminating failure modes of state‐of‐the‐art ocular segmentation models. Data analysis led us to conclude that accuracy is a poor measure of sensitivity to input change and that even moderate levels of blur have dramatic effects on said sensitivity. We further concluded that architectures show larger variations in sensitivity to blur which do not match either their reported or measured performance on unblurred test datasets. Our analysis has attributed at least a part of the problem to overfitting non‐essential input dataset features and resolution sensitivity.
Fatty acid esters as novel metabolites of γ‐hydroxybutyric acid: A preliminary investigation
Authors: Kraemer Michael , Broecker Sebastian , Kueting Theresa , Madea Burkhard , Maas Alexandra 
Published: January 2022

Abstractγ‐Hydroxybutyric acid (GHB) is a substance frequently abused as a knockout agent. Because of possible amnesia experienced by victims of GHB exposure and the short detection time of GHB in biological samples, the proof of GHB uptake is often challenging for forensic toxicologists. For this reason, various approaches have been evaluated to prolong the detection of GHB intake. In the present study, a fatty acid ester of GHB (4‐palmitoyloxy butyrate [GHB‐Pal; 3‐carboxypropyl hexadecanoate]) was synthesized with the intent of examining whether such esters could be detected as metabolites of GHB in blood samples. Using the structurally elucidated synthesis product (structural elucidation by means of high performance liquid chromatography quadrupole time of flight mass spectrometry [LC‐QToF‐MS]), an LC triple quadrupole mass spectrometric (LC–MS/MS) method was established for the detection of GHB‐Pal. Blood (plasma) samples from four cases in which GHB was previously detected at relevant concentrations (56.1–96.5 μg/ml) were analyzed with respect to GHB‐Pal. Signals for GHB‐Pal, as well as possible signals for other fatty acid esters of GHB, were detectable in these specimens. (Negative) control samples (20 plasma samples and 20 red blood cell/blood clot samples; from cases in which an intake of GHB or its precursors was not assumed) were all negative for GHB‐Pal. To evaluate a possible forensic benefit of GHB fatty acid esters (prolongation of the detection window of a GHB uptake), the analysis of additional plasma samples collected after GHB uptake (or controlled GHB administration) and quantification of GHB fatty acid esters are needed.
Borderline personality disorder symptoms as mediational mechanisms linking childhood trauma and nonsuicidal self‐injury among women with bulimia nervosa
Authors: Dodd Dorian R. , Crosby Ross D. , Cao Li , Gordon Kathryn H. , Wonderlich Stephen A. 
Published: January 2022

AbstractObjectiveNonsuicidal self‐injury (NSSI) frequently co‐occurs with eating disorders, especially bulimia nervosa (BN). Theoretical models and empirical evidence show many overlapping risk factors for the onset and maintenance of NSSI and BN. However, among those with BN, it remains unclear what distinguishes those who do versus do not engage in NSSI. The primary objective of the present study was to identify factors predicting NSSI among women with BN. Specifically, we tested four domains of borderline personality disorder as mediators between childhood trauma and NSSI.MethodUsing structural equation modeling we tested a parallel mediation model to predict NSSI among women with BN (N = 130). Childhood trauma (measured by the Childhood Trauma Questionnaire at baseline) was the independent variable. The four parallel mediators (measured at baseline via the Diagnostic Interview for Borderlines, Revised) were lifetime negative affect, impulsive actions, atypical cognitions (e.g., odd thinking, unusual perceptual experiences, quasi‐psychotic thinking), and interpersonal problems. The dependent variable was instances of NSSI during a subsequent two‐week ecological momentary assessment protocol.ResultsChildhood trauma was significantly associated with all four mediators (all p values < .01), but only atypical cognitions predicted NSSI (p = .03). The indirect path from childhood trauma to NSSI, through atypical cognitions was significant (path coefficient = .001, SE < .001, p = .01).DiscussionAmong women with BN, childhood trauma was associated with atypical cognitions, which in turn predicted NSSI. Atypical cognitions may be a mechanism for NSSI in this population.
Long‐term outcome in males with anorexia nervosa: A prospective, sex‐matched study
Authors: Quadflieg Norbert , Naab Silke , Voderholzer Ulrich , Fichter Manfred M. 
Published: January 2022

AbstractObjectiveThe objective of this study is to report on the 5.5‐years outcome of anorexia nervosa (AN) in male adolescent inpatients and compare it to the outcome of female adolescent inpatients with AN.MethodDiagnostic eating disorder outcome was assessed by the Structured Inventory of Anorexic and Bulimic Syndromes (DSM‐IV) in 20 males and 20 females matched for AN diagnosis, age at treatment, and length of follow‐up. For documentation, follow‐up scores of the Eating Disorder Inventory and the Brief Symptom Inventory are reported.ResultsDiagnostic outcome did not differ between sexes. Four male and six female participants had AN at follow‐up. One male and four females had crossed to bulimia nervosa, and five males and three females to eating disorder not otherwise specified. Remission was found in 10 males and 7 females. Effect sizes were mostly small. At follow‐up females had higher scores than males with large effect sizes for drive for thinness (Cohen's d = 0.86) and body dissatisfaction (d = 1.07).DiscussionFew significant sex differences were found. Additional research involving larger samples of males and a broader range of assessed outcomes (e.g., drive for muscularity) in both sexes is urgently needed.
Pupil psychosensory reflex in response to own and standardised silhouettes in patients with anorexia nervosa
Authors: Couton Céline , Gorwood Philip , Pham‐Scottez Alexandra , Poupon Daphnée , Duriez Philibert 
Published: January 2022

AbstractObjectiveThis study aimed to assess the physiological response of patients with anorexia nervosa (AN) to different types of silhouettes using pupillometry.MethodsWe measured the pupil psychosensory reflex (PSR) of 42 patients with AN and 35 healthy controls in response to standardised body silhouettes and to pictures of their own silhouettes digitally modified to represent different body mass indices (BMI). Perceptual distortion and body dissatisfaction were assessed using Anamorphic Micro Software©. Twenty‐three of the recruited patients were tested up to four times during an inpatient treatment programme to assess the impact of weight gain.ResultsPSR correlated with the subjective rating of emotional arousal in controls but not in patients. Own silhouettes and standardised silhouettes triggered a different pupil response both in patients with AN and in controls. With pictures of their own silhouettes, pupil response to underweight stimuli differed from pupil response to normal weight or overweight stimuli in both groups. Weight gain was associated with an increase in PSR, an improvement of ideal BMI and a decrease of body dissatisfaction, but no change in perceptual distortion.ConclusionOur findings support the idea that pupillometry could be a useful tool to assess the physiological state of patients with AN.
Informant‐based tools for assessment and monitoring of cognition, behavior, and function in neurocognitive disorders: Systematic review and report from a CCCDTD5 Working Group
Authors: Choudhury Samira , Ghodasara Sheena , Stiffel Michael , Fischer Corinne E. , Tang‐Wai David F. , Smith Eric Edward , Massoud Fadi , Robin Hsiung Ging‐Yuek , Lee Linda , Bruneau Marie‐Andrée , Laforce Robert Jr , Ismail Zahinoor , Burhan Amer M. , Kumar Sanjeev 
Published: January 2022

AbstractObjectiveAs part of the fifth Canadian Consensus Conference on the Diagnosis and Treatment of Dementia, we assessed the literature on informant‐based tools for assessment and monitoring of cognition, behavior, and function in neurocognitive disorders (NCDs) to provide evidence‐based recommendations for clinicians and researchers.MethodsA systematic review was conducted following Preferred Reporting Items for Systematic Reviews and Meta‐Analyses standards guidelines. Publications that validated the informant‐based tools or described their key properties were reviewed. Quality of the studies was assessed using the modified Quality Assessment tool for Diagnostic Accuracy Studies.ResultsOut of 386 publications identified through systematic search, 34 that described 19 informant‐based tools were included in the final review. Most of these tools are backed by good‐quality studies and are appropriate to use in clinical care or research. The tools vary in their psychometric properties, domains covered, comprehensiveness, completion time, and ability to detect longitudinal change. Based on these properties, we identify different tools that may be appropriate for primary care, specialized memory clinic, or research settings. We also identify barriers to use of these tools in routine clinical practice.ConclusionThere are several good‐quality tools available to collect informant‐report for assessment and monitoring of cognition, behavior, or function in patients with NCDs. Clinicians and researchers may choose a particular tool based on their specific needs such as domains of interest, desired psychometric properties, and feasibility. Further work is needed to make the tools more user‐friendly and to adopt them into routine clinical care.
Simple Modifications for the Facile Preparation of 1,1,2,3,4,4‐Hexaaryl‐1,3‐butadienes
Authors: Sakaguchi Tomoya , Kusumoto Naoki , Shimomura Osamu , Ohtaka Atsushi 
Published: January 2022

AbstractA facile preparation of 1,1,2,3,4,4‐hexaaryl‐1,3‐butadienes which are important molecules due to their aggregation‐induced emission (AIE) activity was achieved by simple modifications of the reaction conditions reported in the previous work. In this reaction system, the insertion of alkynes into the palladium−carbon bond will be accelerated by changing the palladium intermediate to the cationic one. When silver nitrate was used, the reaction of diarylalkynes with arylboronic acids took place smoothly under mild reaction conditions without any ligand to give the coupling diene products in excellent yields. On the contrary, the reaction hardly proceeded with silver oxide and silver carbonate. Poly(hexaphenyl‐1,3‐butadiene) (PHB) with a similar molecular weight to the previously prepared one was also synthesized from the reaction of diphenylacetylene with phenyldiboronic acid under mild reaction conditions.
FPIA: A database for gene fusion profiling and interactive analyses
Authors: Huang Lu , Zhu Huimin , Luo Zhenhua , Luo Chukun , Luo Linjiang , Nong Baoting , Zhang Shiyu , Wan Chengcheng , Wang Yanzhi , Songyang Zhou , Xiong Yuanyan 
Published: January 2022

AbstractAs one of the hallmarks of cancer, gene fusions play an important role in tumorigenesis, and have been established as biomarkers and therapeutic targets. Although recent years have witnessed the development of gene fusion databases, a tool with interactive analytic functions remains lacking. Here, we introduce fusion profiling interactive analysis (FPIA), a web server to perform interactive and customizable analysis on fusion genes. With this platform, researchers can easily explore fusion‐associated biological and molecular differences including gene expression, tumor purity and ploidy, mutation, copy number variations, protein expression, immune cell infiltration, stemness, telomere length, microsatellite instability, survival and novel peptides based on 33 cancer types from The Cancer Genome Atlas (TCGA) data. Currently, it contains 31 633 fusion events from 6910 patients. FPIA complements the existing gene fusion annotation databases with its multiomics analytic capacity, integrated analysis features, customized analysis selection and user‐friendly design. The comprehensive data analyses by FPIA will greatly facilitate data mining, hypothesis generation and therapeutic target discovery. FPIA is available at http://bioinfo-sysu.com/fpia.
Inventory and drivers of the adoption of flood‐based farming systems in South‐Eastern Africa: Insights from Malawi*
Authors: Msume Arab P. , Mwale Faidess D. , Castelli Giulio 
Published: January 2022

AbstractRainfed agriculture, which is dominant in sub‐Saharan Africa, remains vulnerable to the impacts of climate change. In this framework, flood‐based farming systems (FBFS) enable the use of floodwater as an opportunity for crop production. FBFS have received much attention recently; however, there is limited guidance on how they can be promoted effectively in rural areas. To do so and to support the adoption of appropriate systems, it is important to understand the current practice of FBFS. This study focuses on the Balaka District (Malawi) and the types of FBFS in use, the extent of practice, and the factors behind their adoption. A sample size of 398 farmers was considered, using questionnaires, observations, focus group discussions, and key informant interviews to collect primary data. The results showed flood recession agriculture (FRA), depression agriculture, spate irrigation, and inundation canals and dugouts among the FBFS used and that FRA was the dominantly adopted method (54%). Lack of capital investment and level of farmer awareness were the factors most associated with FBFS adoption with p = .00003 and p = .004, respectively. Capital investment and actions to increase farmers' awareness should therefore be considered to realize the full benefits of FBFS.
Analysis of skew of visible laser reflections in a living sheep heart
Authors: Stringer Bradley J. , Shumway Spencer B. , Willden Jeremy P. , Kuck Kai 
Published: January 2022

AbstractLimited methods exist to confirm the position of cardiovascular devices in the heart. In our earlier work, an optical fiber was enclosed in a central catheter and guided to known positions in the superior vena cava and right atrium in the heart of a living sheep. The tissues were illuminated with two wavelengths of visible light and the reflections were analyzed using frequency domain techniques. In this follow‐up work, the data were reanalyzed using statistical estimates of skew and kurtosis as a function of anatomic position. Skew values from a 520 nm laser were able to determine catheter tip position near the cavoatrial junction as validated against known positions previously determined with electrocardiogram and contrast‐enhanced video fluoroscopy. This method successfully confirmed the location of the catheter tip at the cavoatrial junction in 84% of 840 trials. Further research with refined apparatus and algorithms on additional animal subjects is strongly suggested.