bluuebunny/crossref_metadata_2025_split huggingface dataset:
Desymmetrization of Viologen Anolytes Empowering Energy Dense, Ultra Stable Flow Batteries toward Long‐Duration Energy Storage
Authors: Hu Maowei , Wu Wenda , Luo Jian , Liu T. Leo 
Published: September 2022

AbstractAqueous organic redox flow batteries (AORFBs) have been recognized as a promising technology for large‐scale, long‐duration energy storage of renewables (e.g., solar and wind) by overcoming their intermittence and fluctuation. However, simultaneous demonstration of high energy densities and stable cycling are still challenging for AORFBs. Herein, asymmetrically substituted sulfonate viologen molecular designs, e.g. (1‐[3‐sulfonatopropyl]‐1′‐[4‐sulfonatobutane]‐4,4′‐bipyridinium (3,4‐S2V), as capacity dense, chemically stable anolytes for cation exchange AORFBs are presented. The robust cycling performance of 3,4‐S2V is confirmed using half‐cell and full‐cell flow battery studies at pH neutral conditions. The 3,4‐S2V based AORFB is demonstrated with a discharge capacity of 23.2 Ah L−1 for 1700 cycles or 100 days without observing chemical degradation. Furthermore, a 3,4‐S2V/(NH4)4[Fe(CN)6] AORFB with a discharge capacity of 259.9 mAh is demonstrated for 50 days of authentic energy storage for the first time with a total capacity retention of 97.77% or a temporal capacity retention rate of 99.955% per day, representing the most stable, longest cycled AORFB to date.
Incompletely Decomposed In4SnSe4 Leads to High‐Ranged Thermoelectric Performance in n‐Type PbTe
Authors: Shi Haonan , Qin Yongxin , Qin Bingchao , Su Lizhong , Wang Yuping , Chen Yongjin , Gao Xiang , Liang Hao , Ge Zhen‐Hua , Hong Tao , Zhao Li‐Dong 
Published: September 2022

AbstractAdditives in thermoelectric materials are conventionally considered as either extrinsic defects or second phases regardless of their dynamic processes. Herein, In4SnSe4, with inherent low thermal conductivity, is introduced into n‐type PbTe. It is revealed that In4SnSe4 decomposes incompletely at high temperatures, in which around 80% of In4SnSe4 dissolves into InSe and Sn, while 20% forms as nano‐precipitates. Benefiting from the incomplete decomposition, PbTe‐0.1%In4SnSe4 presents superior thermoelectric performance compared to the stepwise and compositionally identical PbTe‐0.4%InSe‐0.1%Sn. The residual In4SnSe4 along with Sn and InSe jointly contribute to the synergetic optimization of carrier mobility and lattice thermal conductivity in PbTe‐0.1%In4SnSe4. As a result, the room‐temperature dimensionless figure of merit (ZT) of ≈0.4 and the ZTave of ≈0.83 at 300–573 K are obtained, and an experimental maximum thermoelectric conversion efficiency (η) of ≈2.5% (ΔT ≈ 400 K) is obtained, demonstrating significant research progress in n‐type PbTe. This work indicates that the In4SnSe4 incomplete decomposition effectively decouples the electron and phonon transports in n‐type PbTe and the strategy of utilizing the unstable additives is proven feasible. Additionally, more dynamic behaviors of additives are worth expecting and may promote more achievements for other thermoelectric systems.
An alternative size variable for allometric investigations in subadults
Authors: Chu Elaine Y. , Stull Kyra E. , Sylvester Adam D. 
Published: September 2022

AbstractOBJECTIVESEffective allometry research relies on appropriate size variables; however, two of the largest obstacles in subadult (ontogenetic) allometry research is small sample sizes and unknown dimensions. This study overcomes a barrier of ontogenetic allometry research by proposing alternative size variables that do not require additional calculations for use in subadult allometry research and retain general patterns among long bones when stature is used for size.MATERIALS AND METHODSDiaphyseal measurements, stature, and age were collected from computed tomography (CT) and full‐body radiographic images for a sample of subadults between birth and 13 years from the United States (U.S.,n = 308) and South Africa (Z.A.,n = 25). Nineteen alternative size variables were evaluated using reduced‐major‐axis regression to identify the closest one‐to‐one relationship to stature. The applicability across samples was then evaluated using the selected alternative size variables.RESULTSRadius midshaft breadth (RMSB), femur midshaft breadth (FMSB), and the geometric mean of midshaft breadths (GM midshaft) yielded the closest isometric relationships to stature. Allometric relationships among long bones are maintained when using stature, FMSB, and GM midshaft as size variables for both the U.S. and Z.A. samples.DISCUSSIONA large, modern dataset facilitated an investigation into alternative size variables that can be used for single‐bone ontogenetic allometry. Generalizability of the model suggests FMSB and GM midshaft are persistent across populations. This methodology identifies alternative size variables appropriate for other allometry research and offers a robust approach even when historically relied upon size variables are unknown.
Bidirectional Optical Non‐Reciprocity in a Multi‐Mode Cavity Optomechanical System
Authors: Ullah Muhib , Yang Xihua , Wang Li‐Gang 
Published: September 2022

AbstractOptical non‐reciprocity that allows unidirectional flow of optical field is pivoted on time reversal symmetry breaking, which originates from radiation pressure because of light–matter interaction in cavity optomechanical systems. Here, the non‐reciprocal transport of optical signals across two ports via three optical modes optomechanically coupled to the mechanical excitations of two nanomechanical resonators (NMRs) is studied under the influence of strong classical drive fields and weak probe fields. It is found that there exists the conversion of reciprocal to non‐reciprocal signal transmission via tuning the drive fields and perfect non‐reciprocal transmission of output fields is realized when the effective cavity detuning parameters are near resonant to the NMRs' frequencies. The unidirectional non‐reciprocal transport is robust to the optomechanical couplings around resonance conditions. Moreover, the loss rates of cavities play an inevitable role in the unidirectional flow of signal across the two ports. Bidirectional transmission can also be controlled by the phase changes associated with the probe and drive fields along with their relative phase. This scheme may provide a foundation for the compact non‐reciprocal communication and quantum information processing, thus enabling novel devices that route photons in unconventional ways such as all‐optical diodes, optical transistors, and optical switches.
Chemoproteomik‐basierte Identifikation von 4‐Oxo‐β‐lactamen als Inhibitoren der Dipeptidylpeptidasen 8 und 9
Authors: Carvalho Luís A. R. , Ross Breyan , Fehr Lorenz , Bolgi Oguz , Wöhrle Svenja , Lum Kenneth M. , Podlesainski David , Vieira Andreia C. , Kiefersauer Reiner , Félix Rita , Rodrigues Tiago , Lucas Susana D. , Groß Olaf , Geiss‐Friedlander Ruth , Cravatt Benjamin F. , Huber Robert , Kaiser Markus , Moreira Rui 
Published: September 2022

AbstractDie Dipeptidylpeptidasen 8 und 9 (DPP8/9) sind aufgrund ihrer wichtigen Rolle in biologischen Prozessen wie der Immunität und Tumorgenese in den letzten Jahren in den Fokus der Wirkstoffforschung gerückt. Der individuelle Beitrag der jeweiligen Protease innerhalb dieser Prozesse ist bisher jedoch meistens noch unbekannt. Die Untersuchung ihrer individuellen Funktion kann dabei von der Verfügbarkeit Protease‐selektiver und chemisch‐diverser Hemmstoffe profitieren. In dieser Arbeit stellen wir die durch Anwendung von Aktivitäts‐basiertem Protein‐Profiling (ABPP) entdeckten 4‐Oxo‐β‐lactame als potente, nicht‐Substrat‐abgeleitete, nanomolare DPP8/9‐Inhibitoren vor. Röntgenkristallographische Untersuchungen von Liganden‐DPP‐Komplexen offenbarten dabei unterschiedliche Ligandenbindungsmodi für DPP8 und DPP9, einschließlich einer neuartigen Adressierung einer erweiterten S2′ (eS2′)‐Bindetasche in DPP8. Zusätzliche Assays bestätigten ihre Hemmwirkung sowohl auf biochemischer als auch auf zellulärer Ebene. Zusammenfassend führte unser kombinierter Ansatz aus chemischer Proteomik und strukturbasiertem Design somit zu der Entwicklung neuartiger DPP8/9‐Inhibitoren mit einem alternativem molekularen Hemmmechanismus und einem bisher nicht erreichten Selektivitätsindex.
Chemoproteomics‐Enabled Identification of 4‐Oxo‐β‐Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9
Authors: Carvalho Luís A. R. , Ross Breyan , Fehr Lorenz , Bolgi Oguz , Wöhrle Svenja , Lum Kenneth M. , Podlesainski David , Vieira Andreia C. , Kiefersauer Reiner , Félix Rita , Rodrigues Tiago , Lucas Susana D. , Groß Olaf , Geiss‐Friedlander Ruth , Cravatt Benjamin F. , Huber Robert , Kaiser Markus , Moreira Rui 
Published: September 2022

AbstractDipeptidyl peptidases 8 and 9 (DPP8/9) have gathered interest as drug targets due to their important roles in biological processes like immunity and tumorigenesis. Elucidation of their distinct individual functions remains an ongoing task and could benefit from the availability of novel, chemically diverse and selective chemical tools. Here, we report the activity‐based protein profiling (ABPP)‐mediated discovery of 4‐oxo‐β‐lactams as potent, non‐substrate‐like nanomolar DPP8/9 inhibitors. X‐ray crystallographic structures revealed different ligand binding modes for DPP8 and DPP9, including an unprecedented targeting of an extended S2′ (eS2′) subsite in DPP8. Biological assays confirmed inhibition at both target and cellular levels. Altogether, our integrated chemical proteomics and structure‐guided small molecule design approach led to novel DPP8/9 inhibitors with alternative molecular inhibition mechanisms, delivering the highest selectivity index reported to date.
A long‐term shift in the summer distribution of Hector’s dolphins is correlated with an increase in cruise ship tourism
Authors: Carome William , Slooten Elisabeth , Rayment William , Webster Trudi , Wickman Lindsay , Brough Tom , Dawson Stephen M. 
Published: September 2022

Abstract

Before the 2020 COVID‐19 pandemic, cruise ship tourism had been one of the fastest growing segments of global tourism, presenting a range of potential impacts. At Akaroa Harbour, Aotearoa New Zealand, the number of annual cruise ship visits more than quadrupled following earthquake damage to Ōtautahi Christchurch's Lyttelton Port in 2011. Akaroa Harbour is an area of core use for endangered and endemic Hector’s dolphins (Cephalorhynchus hectori). Dolphins here are exposed to some of the highest levels of cetacean tourism in Aotearoa New Zealand.
Relationships were examined between growth in cruise ship visits, as well as tours focused specifically on dolphins, and long‐term trends in summer distribution of Hector’s dolphins at Akaroa Harbour, from 2000 to 2020. Core use areas for Hector’s dolphins within the harbour were quantified via kernel density estimation using data from 2,335 sightings from over 8,000 km of standardized survey effort. Data were allocated into four periods based on varying levels of tourism.
Dolphin habitat preference varied over time, with the greatest change occurring between 2005–2011 and 2012–2015. When comparing these periods, the spatial overlap of core habitat was less than 24%. Dolphin distribution shifted towards the outer harbour after 2011 and has remained relatively consistent since.
The observed shift in distribution coincided with the more than fourfold increase in annual cruise ship visits to Akaroa Harbour. Several pressures related to cruise ship tourism are likely to have influenced habitat preferences of dolphins. Further investigation into causal factors of the observed shift is warranted.
In the wake of the COVID‐19 pandemic, the future of cruise ship and wildlife tourism is in flux. Our findings suggest that the future re‐development of this industry should follow a precautionary approach, with the onus on industry to provide evidence of sustainability before proceeding.
Upper‐level midlatitude troughs in boreal winter have an amplified low‐latitude linkage over Africa
Authors: Ward Neil , Fink Andreas H. , Keane Richard J. , Parker Douglas J. 
Published: September 2022

AbstractIn boreal winter, strong upper‐level midlatitude troughs across the Atlantic–Africa–southwestern Asia sector generate substantial tropical–extratropical interaction and have become recognized as important factors in some extreme weather events. As such, they represent important dynamic features to understand and capture in weather forecasts, as well as in climate models for projections on longer timescales. Here, we empirically study the 20% of winter days with strongest trough signatures during 1982–2020 at each longitude across the sector, and show that the trough impact over northern Africa, most notably in central parts, is particularly strong in magnitude, low‐latitude extent and persistence, leading to the characterization of a northern Africa mode of several‐days weather fluctuation. Weather conditions that follow strong troughs from the eastern Atlantic to the Central Mediterranean include: (i) a warming tendency across much of northern Africa, generally of several Celsius magnitude ahead of the trough, and >1°C even extending to the south of 10° N in central parts and continuing eastward until the Ethiopian Highlands; (ii) precipitation development further north than normal across northern tropical Africa, especially strong over longitudes corresponding to a northward extension of the main Congo rain belt. The intertropical discontinuity and low‐level heat low are also shifted significantly north, with the complex of anomalies persisting for several days, beyond the timescale of the trough. For context, at all other trough longitudes across the sector, a warming signal does emerge (statistically significant), but with much shorter persistence (2–3 days), smaller magnitude and extending southward clearly only to 15–20° N. Mid‐level tropical plumes of moisture are also typically present for strong troughs from the eastern Atlantic to southwestern Asia, and these alone can lead to weather extremes. However, low‐level warming and mid‐level moistening are uniquely juxtaposed at low latitudes over central Africa, where a near‐equatorial signature develops.
COVID‐19 vaccine‐associated myositis – a case report
Authors: Bose Ponnu , Goenka Usha , Moitra Saibal , Majumdar Sanjib , Goenka Mahesh Kumar , Sen Srijita Ghosh 
Published: September 2022

AbstractMyositis is one of the uncommon adverse events following COVID‐19 vaccination, and its mechanism is still unclear. A strong clinical suspicion and further evaluation are important not only for early diagnosis and management but also for better understanding of the unprecedented effects of this novel vaccine. We present a case of myositis following the first dose of the ChAdOx1 nCoV‐19 Corona Virus Vaccine, evidenced by serology and MRI.
Surgical management of a solitary metastatic ovarian adenocarcinoma with colonic origin presenting as gigantic bilateral ovarian masses
Authors: Ahmadi Tafti Seyed Mohsen , Behboudi Behnam , Nili Fatemeh , Hadizadeh Alireza 
Published: September 2022

AbstractMetastatic ovarian tumors with a gastrointestinal origin have always been a challenge in surgery; in many cases, the primary tumor is diagnosed after the metastasis. This case was presented with bilateral abdominal masses, which were adenocarcinomas originating from gastrointestinal tract. Following colonoscopy and finding a mass, total colectomy was performed.
Noble Metal‐Free CoSx/NiSx Heterojunction for Photo‐Assisted Methanol Electrooxidation
Authors: Wang Feng , Wu Lisha , Qian Lei , Li Guanfeng , Sun Yonghua , Zeng Ying 
Published: September 2022

AbstractDesigning noble metal‐free anode catalysts for photo‐assisted direct methanol fuels cells still remains a significant challenge. In this report, CoSx/NiSx heterojunction was prepared by a two‐step method containing room temperature coordination reaction and calcination using L‐cysteine as both organic ligands and sulfur sources. The as‐prepared CoSx/NiSx heterojunction displayed a significant enhancement in the methanol electrocatalytic oxidation activity under the light irradiation by combining their electrocatalytic and photocatalytic properties. The photocatalytic process was discussed in detail to explore the photo‐assisted enhancement mechanism. The electrochemical and photochemical results indicated that, the synergistic effect of electro‐ and photocatalytic reaction contributes to the enhanced catalytic performance. This work provides a new paradigm to improve the methanol electrocatalytic activity of noble metal‐free semiconductor catalyst. Our proposed noble metal‐free CoSx/NiSx heterojunction will have potential use in photo‐assisted direct methanol fuel cells.
On a black hole effect in bilinear curve resolution based on least squares
Authors: Vitale Raffaele , Ruckebusch Cyril 
Published: September 2022

AbstractLeast squares‐based estimations lay behind most chemometric methodologies. Their properties, though, have been extensively studied mainly in the domain of regression, in relation to which the effect of well‐known deleterious factors (like object leverage or data distributions deviating from ideal conditions) on the accuracy of the prediction of an external response variable has been thoroughly assessed. Conversely, much less attention has been paid to what these factors might yield in alternative scenarios, where least squares approaches are still utilised, yet the objectives of data modelling may be very different. As an example, one can think of multivariate curve resolution (MCR) problems which are usually addressed by means of multivariate curve resolution‐alternating least squares (MCR‐ALS). In this respect, this article wants to offer a perspective on the basic principles of MCR‐ALS from the regression point of view. In particular, the following critical aspects will be highlighted: (i) in the presence of minor components, if the number of analysed data points is too large, the leverage of those that may be essential for a MCR‐ALS resolution might become too low for guaranteeing its correctness, and (ii) in order to overcome this black hole effect and improve the accuracy of the MCR‐ALS output, data pruning can be exploited. More in detail, this communication will provide a practical illustration of such aspects in the field of hyperspectral imaging where even single experimental runs may lead to the generation of massive amounts of spectral recordings.
Urea Production on Metal‐Free Dual Silicon Doped C9N4 Nanosheet Under Ambient Conditions by Electrocatalysis: A First Principles Study
Authors: Dutta Supriti , Pati Swapan K. 
Published: September 2022

AbstractThe development of cheap, eco‐friendly electrocatalysts for urea synthesis which avoids the traditional nitrogen reduction to form ammonia, is very important to meet our growing demand for urea. Herein, based on density functional theory, we propose a novel electrocatalyst (dual Si doped C9N4 nanosheet) composed of totally environmentally benign non‐metal earth abundant elements, which is able to adsorb N2 and CO2 together. Reduction of CO2 to CO happens, which is then inserted into activated N−N bond, and it produces *N(CO)N intermediate, which is the crucial step for urea formation. Eventually following several proton coupled electron transfer processes, urea is formed under ambient conditions. The limiting potential value for urea formation is found to be lower than that of NH3 formation and HER (hydrogen evolution reaction). Moreover, the faradaic efficiency of our proposed catalyst system is 100 % for urea formation, which suggests greater selectivity of urea formation over other competitive reactions.
Facile Synthesis of Triazoles using Electrospray‐Deposited Copper Nanomaterials to Catalyze Azide‐Alkyne Cycloaddition (AAC) Click Reactions
Authors: Ghosh Jyotirmoy , Cooks R. Graham 
Published: September 2022

AbstractElectrospray deposition of copper salt‐containing microdroplets onto the liquid surface of an electrically grounded reaction mixture leads to the formation of Cu nanoclusters, which then catalyze the azide‐alkyne cycloaddition (AAC) reaction to form triazoles. This method of in situ nanocatalyst preparation provided 17 times higher catalytic activity compared to that in the conventional catalytic reaction. The gentle landing of the Cu‐containing droplets onto the liquid surface forms a thin film of catalyst which promotes the heterogeneous AAC reaction while showing diffusion‐controlled kinetics. UV‐vis spectral characterization confirms that the catalyst is comprised of Cu nanoclusters. This unique catalytic strategy was validated using several substrates and the corresponding products were confirmed by tandem mass spectrometry (MS/MS) analysis.
Corporate social responsibility and the alignment of CEO and shareholders wealth: Does a strong alignment induce or restrain CSR?
Authors: Kim Hyeong Joon , Mun Seongjae , Han Seung Hun 
Published: September 2022

AbstractWe examine whether a strong alignment of the chief executive officer (CEO) and shareholders wealth induces or restrains the firm's corporate social responsibility (CSR) engagement. CSR can enhance shareholders wealth consistent with stakeholder theory. However, CEOs maximizing their own utilities have an incentive to overinvest corporate resources for CSR engagement at shareholders' expense. Therefore, the strong alignment of the CEO and shareholders wealth is expected to lead the CEO to engage less in some CSR activities, particularly those are questionable to enhance shareholders wealth or those are only good for the CEO's private benefit. Empirically, we find that firms with strongly aligned CEOs are less likely to strengthen CSR activities for external stakeholders such as the environment, community, and human rights. This suggests that strengthening CSR for external stakeholders appears to be the consequence of agency problem rather than stakeholder theory. Overall, we argue that CEO‐shareholders wealth alignment has a non‐monotonic impact on CSR activities, and it can effectively mitigate the agency problem by restraining overinvestment in some CSR activities that may harm shareholders wealth.