bluuebunny/crossref_metadata_2025_split huggingface dataset:
O‐to‐S Substitution Enables Dovetailing Conflicting Cyclizability, Polymerizability, and Recyclability: Dithiolactone vs. Dilactone
Authors: Wang Yanchao , Li Maosheng , Chen Jinlong , Tao Youhua , Wang Xianhong 
Published: August 2021

AbstractDeveloping chemically recyclable polymers represents a greener alternative to landfill and incineration and offers a closed‐loop strategy toward a circular materials economy. However, the synthesis of chemically recyclable polymers is still plagued with certain fundamental limitations, including trade‐offs between the monomer's cyclizability and polymerizability, as well as between polymer's depolymerizability and properties. Here we describe the subtle O‐to‐S substitution, dithiolactone monomers derived from abundant feedstock α‐amino acids can demonstrate appealing chemical properties different from those of dilactone, including accelerated ring closure, augmented kinetics polymerizability, high depolymerizability and selectivity, and thus constitute a unique class of polythioester materials exhibiting controlled molecular weight (up to 100.5 kDa), atactic yet high crystallinity, structurally diversity, and chemical recyclability. These polythioesters well addresses the formidable challenges of developing chemically recyclable polymers by having an unusual set of desired properties, including easy‐to‐make monomer from ubiquitous feedstock, and high polymerizability, crystallinity and precise tunability of physicochemical performance, as well as high depolymerizability and selectivity. Computational studies explain why O‐to‐S modification of polymer backbone enables dovetailing desirable, but conflicting, performance into one polymer structure.
Asymmetric Total Synthesis of Shagenes A and B
Authors: Tsukano Chihiro , Yagita Ryotaro , Heike Takayoshi , Mohammed Tagwa A. , Nishibayashi Kazuya , Irie Kazuhiro , Takemoto Yoshiji 
Published: August 2021

AbstractWe report the first total synthesis of shagenes A and B, which are tricyclic terpenoids containing a cis‐substituted cyclopropane, via ring‐closing metathesis of an enamide and Ir‐catalyzed double‐bond isomerization of an alkylidenecyclopropane. Chemo‐ and diastereoselectivity in the distorted cis‐substituted structures were controlled by the alkylidenecyclopropane reactivity and using the ketone functionality as a remote directing group for the Ir catalyst, respectively. The total synthesis suggested the absolute configuration of shagenes.
Effective Heterogeneous Oxidative Desulfurization Catalyzed by H3PMo9W3O40@rht‐MOF‐1
Authors: Xin Yuxiang , Bai Yiyang , Liu Jiabin , Ma Liqiang , Li Guangming 
Published: August 2021

AbstractWith the increasingly strict standard for sulfur content in fuel, it is necessary to develop high‐efficiency catalyst for extractive and catalytic oxidative desulfurization systems (ECODS). Herein, a series of three remarkable complexes H3PMo(12‐n)WnO40@rht‐MOF‐1 (1 a, n=1; 2 a, n=2; 3 a, n=3) have been designed and prepared. Complexes 1 a, 2 a and 3 a were characterized by single‐crystal X‐ray diffraction and FT‐IR, PXRD, SEM, N2 adsorption‐desorption isotherms, etc. Upon complex 3 a was applied as catalyst, it exhibited remarkably high catalytic activity in the ECODS reactions of aromatic sulfur compounds under optimal conditions. On the basis of its excellent heterogeneity, the catalyst could be recycled for nine consecutive cycles without significant losing of activity centers. Then, the reaction kinetics and mechanism were investigated and the activation energy have been calculated and discussed. Further, the complex 3 a is employed to catalyze the ODS of commercial diesel oil. As a result, the desulfurization efficiency reached 90%. These results provided important structure data for study the structure‐property relationship and potential heterogeneous catalyst applied in ODS in industry.
Hochhausgründungen in Berlin – Erfahrungen in eiszeitlich vorbelasteten Böden
Authors: Mittag Jens , Richter Thomas , Kirsch Fabian 
Published: August 2021

AbstractDie städtische Verdichtung führt dazu, dass auch Projekte mit sehr hohen Gründungslasten geplant und umgesetzt werden. Der hierfür relevante Baugrund des Norddeutschen Tieflands ist durch diverse Vereisungen des Pleistozän geprägt, die sich in unterschiedlichen Erscheinungsformen von Tälern, Seebildungen, Flüssen und Hügellandschaften zeigen. Im Hinblick auf die mechanischen Eigenschaften des Baugrunds reicht es bei anspruchsvolleren Bauvorhaben nicht aus, eine Einteilung der Böden lediglich hinsichtlich der Lagerungsdichte oder der Konsistenz vorzunehmen. Zum besseren Verständnis und zur wirtschaftlichen Nutzung des Baugrunds muss vielmehr eine möglichst genaue Kenntnis der Belastungsgeschichte und ihres Einflusses auf die Steifigkeit und die Tragfähigkeit der Böden erlangt werden. Zahlreiche Berliner Projektbeispiele haben gezeigt, dass es für die Planung entscheidend ist, welche Beanspruchungen diese Böden seit ihrer Bildung erfahren haben. Prägend sind dabei einerseits die verschiedenen Eisvorstöße der pleistozänen Kaltzeiten mit ihren zwischengeschalteten Warmzeiten und andererseits zivilisationsbedingte Vorbelastungen z. B. aus Altbebauungen oder Grundwasserabsenkungen. Neben den bodenmechanischen Zusammenhängen werden praktische Beispiele hoch belasteter Gebäudegründungen vorgestellt und auch gezeigt, dass eine Tiefgründung nicht in allen Fällen notwendig ist und eine flächenhafte Gründung durchaus die bessere und wirtschaftlichere Lösung sein kann.
Improved extraction and purification of the hydrophobin HFBI
Authors: Vereman Jeroen , Thysens Tim , Van Impe Jan , Derdelinckx Guy , Van de Voorde Ilse 
Published: August 2021

AbstractHydrophobins (HFBs) are a group of highly functional, low molecular weight proteins with the ability to self‐assemble at hydrophobic‐hydrophilic interfaces. The surface active, cysteine‐rich proteins are found in filamentous fungi such as Trichoderma reesei. In the present study multiple extraction solvents and conditions were screened for the mycelium bound hydrophobin HFBI and the effects on the total amount of extracted proteins, HFBI recovery and HFBI gushing activity were investigated to gain a more thorough scientific insight on the extraction efficiency and selectivity. Results indicated the enhanced selectivity for HFBI extraction from the fungal biomass using 60% ethanol compared to solutions containing 1% sodium dodecyl sulphate (SDS). Complementing the higher selectivity, HFBI recovery was increased from 6.9 ± 0.6 mg HFBI (1% SDS) to 9.4 ± 0.4 mg HFBI per gram dry fungal biomass for extracts containing 60% ethanol. Furthermore, subsequent to HPLC purification, Cold Induced Phase Separation (CIPS) of acetonitrile‐water systems was investigated at different pH levels. CIPS at pH 2.0 was found to effectively remove the majority of sorbicillinoid pigments from the purified HFBI fraction. The improved method resulted in a recovery of 85.4% of the extracted HFBI after final purification.
Prediction of life satisfaction from resting‐state functional connectome
Authors: Itahashi Takashi , Kosibaty Neda , Hashimoto Ryu‐Ichiro , Aoki Yuta Y. 
Published: August 2021

AbstractBackgroundBetter life satisfaction (LS) is associated with better psychological and psychiatric outcomes. To the best of our knowledge, no studies have examined prediction models for LS.MethodsUsing resting‐state functional magnetic resonance imaging (R‐fMRI) data from the Human Connectome Project (HCP) Young Adult S1200 dataset, we examined whether LS is predictable from intrinsic functional connectivity (iFC). All the HCP data were subdivided into either discovery (n = 100) or validation (n = 766) datasets. Using R‐fMRI data in the discovery dataset, we computed a matrix of iFCs between brain regions. Ridge regression, in combination with principal component analysis and 10‐fold cross‐validation, was used to predict LS. Prediction performance was evaluated by comparing actual and predicted LS scores. The generalizability of the prediction model obtained from the discovery dataset was evaluated by applying this model to the validation dataset.ResultsThe model was able to successfully predict LS in the discovery dataset (r = 0.381, p < .001). The model was also able to successfully predict the degree of LS (r = 0.137, 5000‐repetition permutation test p = .006) in the validation dataset, suggesting that our model is generalizable to the prediction of LS in young adults. iFCs stemming from visual, ventral attention, or limbic networks to other networks (such as the dorsal attention network and default mode network) were likely to contribute positively toward predicted LS scores. iFCs within ventral attention and limbic networks also positively contributed to predicting LS. On the other hand, iFCs stemming from the visual and cerebellar networks to other networks were likely to contribute negatively to the predicted LS scores.ConclusionThe present findings suggest that LS is predictable from the iFCs. These results are an important step toward identifying the neural basis of life satisfaction.
Diazophosphonates: Effective Surrogates for Diazoalkanes in Pyrazole Synthesis
Authors: Ruffell Katie , Smith Frances R. , Green Michael T. , Nicolle Simon M. , Inman Martyn , Lewis William , Hayes Christopher J. , Moody Christopher J. 
Published: August 2021

AbstractDiazophosphonates, readily prepared from α‐ketophosphonates by oxidation of the corresponding hydrazones in batch or in flow, are useful partners in 1,3‐dipolar cycloaddition reactions to alkynes to give N‐H pyrazoles, including the first intramolecular examples of such a process. The phosphoryl group imbues a number of desirable properties into the diazo 1,3‐dipole. The electron‐withdrawing nature of the phosphoryl stabilizes the diazo compound making it easier to handle, whilst the ability of the phosphoryl group to migrate readily in a [1,5]‐sigmatropic rearrangement enables its transfer from C to N to aromatize the initial cycloadduct, and hence its facile removal from the final pyrazole product. Overall, the diazophosphonate acts as a surrogate for the much less stable diazoalkane in cycloadditions, with the phosphoryl group playing a vital, but traceless, role. The cycloaddition proceeds more readily with alkynes bearing electron‐withdrawing groups, and is regiospecific with asymmetrical alkynes. The potential of diazophosphonates for use in bioorthogonal cycloadditions is demonstrated by their facile addition to strained alkynes.
Supported CuII Single‐Ion Catalyst for Total Carbon Utilization of C2 and C3 Biomass‐Based Platform Molecules in the N‐Formylation of Amines
Authors: Dai Xingchao , Wang Xinzhi , Rabeah Jabor , Kreyenschulte Carsten , Brückner Angelika , Shi Feng 
Published: August 2021

AbstractThe shift from fossil carbon sources to renewable ones is vital for developing sustainable chemical processes to produce valuable chemicals. In this work, value‐added formamides were synthesized in good yields by the reaction of amines with C2 and C3 biomass‐based platform molecules such as glycolic acid, 1,3‐dihydroxyacetone and glyceraldehyde. These feedstocks were selectively converted by catalysts based on Cu‐containing zeolite 5A through the in situ formation of carbonyl‐containing intermediates. To the best of our knowledge, this is the first example in which all the carbon atoms in biomass‐based feedstocks could be amidated to produce formamide. Combined catalyst characterization results revealed preferably single CuII sites on the surface of Cu/5A, some of which form small clusters, but without direct linking via oxygen bridges. By combining the results of electron paramagnetic resonance (EPR) spin‐trapping, operando attenuated total reflection (ATR) IR spectroscopy and control experiments, it was found that the formation of formamides might involve a HCOOH‐like intermediate and .NHPh radicals, in which the selective formation of .OOH radicals might play a key role.
Oxidatively Induced Selective Carbon‐Carbon Bond Formation From Isolated Rhodium(III) Complexes
Authors: Shi Ruoyi , Tan Jiantao , Wang Zhifan , Wang Yuanhua 
Published: August 2021

AbstractThis work focuses on oxidatively induced regioselective intramolecular C−C bond formations based on the RhIII complexes synthesized from dirhodium(II) trifluoroacetate with 2‐arylpyridines. With the selection of electron‐donating groups on the arene rings of 2‐arylpyridines, the unusual meta‐ortho C−C bond‐forming was favored, which led to the formation of meta‐substituted 2‐arylpyridine homocoupling dimers. On the contrary, the electron‐withdrawing groups have tendency to occur conventional ortho‐ortho bond‐forming, resulting in the formation of new RhIII complexes possessing the intriguing RhIII(TFA)3 fragment. Preliminary mechanistic experiments suggest that the sequential oxidation of RhIII occurred in the reaction.
Predictive estimation of low density parity check decoded data based on error pattern modelling in wireless body area networks
Authors: Anwar Arifa , Duraisamy Sridharan 
Published: August 2021

SummaryWireless body area networks (WBANs) dynamically track a person's health data wirelessly. The implant‐to‐implant communication (CM1) inside the human body requires low power, highly reliable channels amidst the high losses and attenuation due to the various portions of the body. This attenuation and noise results in complete variation of the monitored health data, resulting in faulty medical diagnosis and alarms. Low density parity check (LDPC) algorithms are popular for error correction in this scenario. However, they still need to be improved for a more reasonable analysis of the health status. We suggest processing of the sensed data to increase the sparsity, thereby improving the bit error probability performance of the LDPC coding technique. Further, we propose the use of Kalman filter to estimate the actually transmitted bit from the LDPC decoded message output. The simulation results show that the proposed technique improve the error correction capability of the LDPC code. The increased energy, time and computations required for the same is found to be within a satisfactory level for the proper functioning of the WBANs.
Evaluation of the adequacy of a spring‐mass model in analyses of liquid sloshing in anchored storage tanks
Authors: Hernandez‐Hernandez Diego , Larkin Tam , Chouw Nawawi 
Published: August 2021

AbstractThis research addresses the influence of the load characteristics, that is, frequency content and maximum acceleration, on the wall stresses of an anchored water storage tank. A low‐density polyethylene tank with a range of six different aspect ratios (water height to tank radius) was tested using a shake table. Eight sine excitations that cover the lowest free vibration frequency of the tank‐water system were applied. Additionally, two sets of five Ricker wavelet excitations were utilized. Each set represents potential earthquakes with a bandwidth between a low and a high dominant frequency. The experimentally determined maximum stresses and those obtained from calculations using a common spring‐mass model employed for seismic analysis of tanks were compared. The results reveal that the relationship between the excitation frequency and the wall stresses strongly depends on the sloshing behavior, especially when the frequency of loading is in the vicinity of the lowest free–vibration frequency of the tank–water system. When the frequencies are dissimilar, there is a proportional relationship between stress and the maximum acceleration of the excitation. The spring‐mass model was found to underestimate both the maximum hoop stress (for aspect ratios greater than two) and axial stress (for aspect ratios equal to 0.5). This occurs because is the spring‐mass model cannot capture, in all cases, the contribution of chaotic sloshing to wall stress.
The effect of awarding disability benefits on opioid consumption
Authors: Barbos Andrei , Sun Minglu 
Published: August 2021

AbstractStrong empirical evidence points towards a significantly higher prevalence of opioid consumption among people receiving disability benefits (DB) than in the general population of the United States. However, no previous research established a causal relationship between the decision to award DB to applicants and their subsequent opioid use. We aim to contribute towards filling this gap. There are channels through which awarding DB may both increase and depress opioid consumption, and thus, ex ante, the sign of a potential causal relationship is ambiguous. To correct for the treatment endogeneity, since an individual's age at the time of the decision on an application impacts discontinuously at certain age cutoffs the award decision, we employ a fuzzy Regression Discontinuity model with three age cutoffs used for identification. We find that awarding DB increases the likelihood of using opioids by about 27–30 percentage points. This suggests that the positive association between DB receipt and opioid consumption is likely to be causal.
Tropical drought patterns and their linkages to large‐scale climate variability over Peninsular Malaysia
Authors: He Qing , Chun Kwok Pan , Tan Mou Leong , Dieppois Bastien , Juneng Liew , Klaus Julian , Fournier Matthieu , Massei Nicolas , Yetemen Omer 
Published: August 2021

AbstractOcean–atmosphere modes of climate variability in the Pacific and Indian oceans, as well as monsoons, regulate the regional wet and dry episodes in tropical regions. However, how those modes of climate variability, and their interactions, lead to spatial differences in drought patterns over tropical Asia at seasonal to interannual time scales remains unclear. This study aims to analyse the hydroclimate processes for both short‐ and long‐term spatial drought patterns (3‐, 6, 12‐ and 24‐months) over Peninsular Malaysia using the Standardized Precipitation Index, Standardized Precipitation Evapotranspiration Index, and Palmer Drought Severity Index. Besides that, a generalized least squares regression is used to explore underlying circulation mechanisms of these spatio‐temporal drought patterns. The tested drought indices indicate a tendency towards wetter conditions over Peninsular Malaysia. Based on principal component analysis, distinct spatio‐temporal drought patterns are revealed, suggesting North–South and East–West gradients in drought distribution. The Pacific El Nino Southern Oscillation (ENSO), the South Western Indian Ocean (SWIO) variability, and the quasi‐biennial oscillation (QBO) are significant contributors to the observed spatio‐temporal variability in drought. Both the ENSO and the SWIO modulate the North–South gradient in drought conditions over Peninsular Malaysia, while the QBO contributes more to the East–West gradient. Through modulating regional moisture fluxes, the warm phases of the ENSO and the SWIO, and the western phases of the QBO weaken the southwest and northeast monsoon, leading to precipitation deficits and droughts over Peninsular Malaysia. The East–West or North–South gradients in droughts are related to the middle mountains blocking southwest and northeast moisture fluxes towards Peninsular Malaysia. In addition, the ENSO and QBO variations are significantly leading to short‐term droughts (less than a year), while the SWIO is significantly associated with longer‐duration droughts (2 years or more). Overall, this work demonstrates how spatio‐temporal drought patterns in tropical regions are related to monsoons and moisture transports affected by the oscillations over the Pacific and Indian oceans, which is important for national water risk management.
An effervescence‐assisted dispersive liquid–liquid micro‐extraction of captopril based on hydrophobic deep eutectic solvent
Authors: Saedi Hamide , Fat'hi Mohammad Reza , Zargar Behrooz 
Published: August 2021

AbstractIn this paper, effervescence‐assisted dispersive liquid–liquid microextraction (EADLLME), based on hydrophobic deep eutectic solvent (HDES) was developed as a green, simple, fast, and sensitive method for the extraction and preconcentration of captopril (CAP) from tablet and urine samples, followed by UV–Vis spectrophotometry. Initially, acetic acid was added to the green extraction solvent (HDES) at μL‐level. This mixture was then transferred by a syringe into bicarbonate fortified sample (contains complex of Ni [II] with CAP); an effervescence reaction occurred immediately between the acetic acid (AA) and sodium bicarbonate. The produced CO2 bubbles led to the dispersion of HDES into the sample. The resulting fine droplets from extractant dispersion facilitated the phase separation. After that, the absorbance of upper phase (HDES rich phase) was measured at 340 nm. Under optimized conditions, we achieved a desirable linearity in the range of 0.07–30 μg/L and low limits of detection of 0.04 μg/L. This developed method was successfully applied for the analysis of tablet and urine samples.
SLIT3 promotes myogenic differentiation as a novel therapeutic factor against muscle loss
Authors: Cho Han Jin , Kim Hyeonmok , Lee Young‐Sun , Moon Sung Ah , Kim Jin‐Man , Kim Hanjun , Kim Min Ji , Yu Jiyoung , Kim Kyunggon , Baek In‐Jeoung , Lee Seung Hun , Ahn Kyong Hoon , Kim Sungsub , Kang Jong‐Sun , Koh Jung‐Min 
Published: August 2021

AbstractBackgroundSarcopenia and osteoporosis frequently co‐occur in the elderly and have common pathophysiological determinants. Slit guidance ligand 3 (SLIT3) has been recently discovered as a novel therapeutic factor against osteoporosis, and a SLIT3 fragment containing the second leucine‐rich repeat domain (LRRD2) had a therapeutic efficacy against osteoporosis. However, a role of SLIT3 in the skeletal muscle is unknown.MethodsSkeletal muscle mass, strength, and/or physical activity were evaluated inSlit3−/−, ovariectomized, and aged mice, based on the measurements of muscle weight and grip strength, Kondziella's inverted hanging test, and/or wheel‐running test. Skeletal muscles were also histologically evaluated by haematoxylin and eosin staining and/or immunofluorescence. The ovariectomized and aged mice were intravenously injected with recombinant SLIT3 LRRD2 for 4 weeks. C2C12 cells were used to know cellular effects of SLIT3, such as in vitro myogenesis, fusion, cell viability, and proliferation, and also used to evaluate its molecular mechanisms by immunocytochemistry, immunoprecipitation, western blotting, real‐time PCR, siRNA transfection, and receptor‐ligand binding ELISA.ResultsSlit3‐deficient mice exhibited decreased skeletal muscle mass, muscle strength, and physical activity. The relative masses of gastrocnemius and soleus were lower in theSlit3−/−mice (0.580 ± 0.039% and 0.033 ± 0.003%, respectively) than those in the WT littermates (0.622 ± 0.043% and 0.038 ± 0.003%, respectively) (all,P < 0.05). Gastrocnemius ofSlit3−/−mice showed the reduced number of Type I and Type IIa fibres (all,P < 0.05), but not of Type IIb and Type IIx fibres. SLIT3 activated β‐catenin signalling by promoting its release from M‐cadherin, thereby increasing myogenin expression to stimulate myoblast differentiation.In vitroexperiments involving ROBO2 expression, knockdown, and interaction with SLIT3 indicated that ROBO2 functions as a SLIT3 receptor to aid myoblast differentiation. SLIT3 LRRD2 dissociated M‐cadherin‐bound β‐catenin and up‐regulated myogenin expression to increase myoblast differentiation, in a manner similar to full‐length SLIT3. Systemic treatment with SLIT3 LRRD2 increased skeletal muscle mass in both ovariectomized and aged mice (all,P < 0.05). The relative masses of gastrocnemius and soleus were higher in the treated aged mice (0.548 ± 0.045% and 0.033 ± 0.005%, respectively) than in the untreated aged mice (0.508 ± 0.016% and 0.028 ± 0.003%, respectively) (all,P < 0.05). SLIT3 LRRD2 treatment increased the hanging duration of the aged mice by approximately 1.7‐fold (P < 0.05).ConclusionsSLIT3 plays a sarcoprotective role by activating β‐catenin signalling. SLIT3 LRRD2 can potentially be used as a therapeutic agent against muscle loss.