bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Flexible, Transparent Chemosensor Integrating an Inkjet‐Printed Organic Field‐Effect Transistor and a Non‐Covalently Functionalized Graphene Electrode
Authors: Lai Stefano , Vlamidis Ylea , Mishra Neeraj , Cosseddu Piero , Mišeikis Vaidotas , Ricci Pier Carlo , Voliani Valerio , Coletti Camilla , Bonfiglio Annalisa 
Published: August 2021

AbstractThis paper presents a novel chemical sensor that combines an organic, floating gate field‐effect transistor and a functional graphene electrode, aimed at realizing the basic building block for novel biomedical sensor systems. A non‐covalent functionalization of graphene with sensing peptides bearing a pyrene moiety is described as a way to provide graphene with chemical responsivity without affecting its electronic and optical features. Given the special properties of the materials and technologies used, and the intrinsic multi‐modality of the active device, it is possible to develop a complete range of chemosensing devices by varying the chemical specificity of the immobilized receptor. The devices are fully flexible, highly transparent, and can be completely fabricated into large areas using cost‐effective and industrially relevant techniques. A complete electrical characterization of the fabricated devices is reported, and their successful use as pH sensors is described as a representative example for demonstrating their sensing capability.
Organic agriculture effect on water use, tile flow, and crop yield
Authors: Logsdon Sally D. , Cambardella Cindy , Delate Kathleen 
Published: August 2021

AbstractLong‐term crop rotations in organic agricultural systems provide N additions through legumes and residual organic materials to improve soil properties. In addition, enhanced pest management and more efficient water use in the spring and fall may result from the plant biodiversity in organic rotations. The purpose of this study was to compare organic and conventional systems in terms of tile flow or water use, and to determine if corn (Zea mays L.) or soybean [Glycine max (L.) Merr.] yields differed between systems. The experimental plots were in central Iowa and consisted of three treatments: 2‐yr conventional rotation (both crops each year in split plot), 4‐yr organic rotation (all crops present each year), and organic grass–legume forage. In the fall of 2017, 2018, and 2019, organic forage used more water than the mean of the 4‐yr organic rotation, which used more water than the 2‐yr conventional rotation. The same trend was shown for the spring of 2017 and 2019. Conventional corn had higher yield than organic for 3 of 8 yr, with 5 yr not significant. Conventional soybean had higher yield than organic for 2 of 8 yr and lower for 1 yr, with 5 yr not significant. Grass weeds were inversely correlated with leaf area index of corn on 3 of 10 measurement dates and for soybean on 5 of 10 measurement dates, but broadleaf weeds only on one date for soybean. Organic agricultural systems had positive benefits for timing of water use in the spring or fall by forage, alfalfa (Medicago sativa L.), or oat (Avena sativa L.). Some years had comparable yields to conventional corn and soybean.
Organocatalytic Asymmetric Ene Reactions
Authors: Balha Megha , Parida Chandrakanta , Chandra Pan Subhas 
Published: August 2021

AbstractThis review article summarizes the recent developments of organocatalytic asymmetric ene reactions. Ene reaction is one of the most useful methods for the formation of C−C bonds in organic synthesis. After the development in 1943 by Kurt Alder, this reaction was thoroughly studied, and various catalytic asymmetric reports were published. This is an updated review on the organocatalytic asymmetric ene reactions.
An Efficient Diazirine‐Based Four‐Armed Cross‐linker for Photo‐patterning of Polymeric Semiconductors
Authors: Wu Changchun , Li Cheng , Yu Xiaobo , Chen Liangliang , Gao Chenying , Zhang Xisha , Zhang Guanxin , Zhang Deqing 
Published: August 2021

AbstractA diazirine‐based four‐armed cross‐linker (4CNN) with a tetrahedron geometry is presented for efficient patterning of polymeric semiconductors by photo‐induced carbene insertion. After blending of 4CNN with no more than 3 % (w/w), photo‐patterning of p‐, n‐, and ambipolar semiconducting polymers with side alkyl chains was achieved; regular patterns with size as small as 5 μm were prepared with appropriate photomasks after 365 nm irradiation for just 40 s. The interchain packing order and the thin film morphology were nearly unaltered after the cross‐linking and the semiconducting properties of the patterned thin films were mostly retained. A complementary‐like inverter with a gain value of 112 was constructed easily by two steps of photo‐patterning of the p‐type and n‐type semiconducting polymers. The results show that 4CNN is a new generation of cross‐linker for the photo‐patterning of polymeric semiconductors for all‐solution‐processible flexible electronic devices.
Local management to support local fisheries: Rāhui (temporary closure) and bag limits for blackfoot abalone (Haliotis iris) in southern New Zealand
Authors: Gnanalingam Gaya , Pritchard Daniel W. , Richards Derek K. , Subritzky Peri , Flack Brendan , Hepburn Christopher D. 
Published: August 2021

Abstract

Spatially discrete stocks that vary in life history traits on a reef‐to‐reef scale present a challenge for fisheries managers. Nationally or regionally applied one‐size‐fits‐all approaches to management fail to account for this variability, and when coupled with fishing pressure this can result in serial depletion and localized extinction.
Where mechanisms for local management exist, as they do in New Zealand via customary protection areas (Taiāpure Local Fisheries, Mātaitai Reserves), managers have the opportunity to trial tools on scales relevant to the stocks managed. This study assesses the effect of bag limits and a rāhui (temporary closure) in managing the spatially discrete, and culturally important, blackfoot abalone (Haliotis iris, pāua) in the East Otago Taiāpure, in southern New Zealand.
Using surveys spanning 8 years and 26 sites, the rāhui was found to have had mixed results: halting the decline in pāua density at 0 m but not 0.5 m depths. The rāhui did, however, result in an increase in the percentage of individuals above the minimum legal size at both depths.
Where bag limits alone had been applied, pāua densities and the percentage of legal‐sized individuals continued to decline over the 8‐year period, with the loss of large individuals, translating into a decline in estimated egg production.
Growth estimates from mark–recapture and surveys of juvenile abundance at sites inside and outside the rāhui highlight the fine‐scale variability in pāua life history even within this local area. This suggests there may be biological impediments to pāua management using bag limits alone.
Though pāua restoration efforts have had mixed results to date, this study highlights the potential for legally empowered local managers and communities to respond to fisheries declines in their own local area in an action‐driven, adaptable, and timely way.
Measurement invariance of the Childhood Autism Rating Scale (CARS) across six countries
Authors: Stevanovic Dejan , Costanzo Floriana , Fucà Elisa , Valeri Giovanni , Vicari Stefano , Robins Diana L. , Samms‐Vaughan Maureen , Ozek Erkuran Handan , Yaylaci Ferhat , Deshpande Smita N. , Deshmukh Vaishali , Arora Narendra K. , Albores‐Gallo Lilia , García‐López Cristina , Gatica‐Bahamonde Gabriel , Gabunia Maia , Zirakashvili Medea , Machado Fernanda Prada , Radan Miruna , Samadi Sayyed Ali , TOH Teck‐Hock , Gayle Windham , Brennan Laura , Zorcec Tatjana , Auza Alejandra , de Jonge Maretha , Shoqirat Noordeen , Marini Anita , Knez Rajna 
Published: August 2021

AbstractThe Childhood Autism Rating Scale (CARS) is a simple and inexpensive tool for Autism spectrum disorder (ASD) assessments, with evidenced psychometric data from different countries. However, it is still unclear whether ASD symptoms are measured the same way across different societies and world regions with this tool, since data on its cross‐cultural validity are lacking. This study evaluated the cross‐cultural measurement invariance of the CARS among children with ASD from six countries, for whom data were aggregated from previous studies in India (n = 101), Jamaica (n = 139), Mexico (n = 72), Spain (n = 99), Turkey (n = 150), and the United States of America (n = 186). We analyzed the approximate measurement invariance based on Bayesian structural equation modeling. The model did not fit the data and its measurement invariance did not hold, with all items found non‐invariant across the countries. Items related to social communication and interaction (i.e., relating to people, imitation, emotional response, and verbal and nonverbal communication) displayed lower levels of cross‐country non‐invariance compared to items about stereotyped behaviors/sensory sensitivity (i.e., body and object use, adaptation to change, or taste, smell, and touch response). This study found that the CARS may not provide cross‐culturally valid ASD assessments. Thus, cross‐cultural comparisons with the CARS should consider first which items operate differently across samples of interest, since its cross‐cultural measurement non‐invariance could be a source of cross‐cultural variability in ASD presentations. Additional studies are needed before drawing valid recommendations in relation to the cultural sensitivity of particular items.
Salt‐tolerant cation exchanger‐containing sulfate groups as a viable alternative for mixed‐mode type and heparin‐based affinity resins
Authors: Begić Marija , Pečenković Suzana , Gajdošik Martina Šrajer , Josić Djuro , Müller Egbert 
Published: August 2021

AbstractIon‐exchange chromatography is still one of the most popular protein separation techniques. Before chromatographic separation, the high salt concentration in various samples necessitates additional steps. Therefore, low salt tolerance of ion‐exchange resins is a drawback that needs to be addressed. Herein, the differences in salt tolerance and hydrophobicity of strong cation‐exchange TOYOPEARL resins of sulfonium and sulfate‐types were investigated. Despite only a minor structural difference, differences in selectivity and salt tolerance between the sulfate and sulfonic groups were detected. In silico calculations were also carried out for model substances representing the sulfonium and sulfate groups, wherein significant differences in hydrophobicity was observed. These experiments confirmed the hypothesis that the salt tolerance, higher affinity, and selectivity for certain vitamin K dependent clotting factors are interrelated and dependent on the presence of the sulfate group. Separation of clotting factor IX from the prothrombin complex concentrate further to confirmed the affinity for these proteins. The results show that the use of only a resin with the sulfate ligand and not with the sulfonic acid ligand allows for a facile and rapid separation of clotting factor IX and other vitamin K dependent clotting factors.
Synthesis and Anti‐Oomycete Activity of 1‐Sulfonyloxy/Acyloxydihydroeugenol Derivatives
Authors: Chen Genqiang , Zhu Lina , He Jiaxuan , Zhang Song , Li Yuanhao , Guo Xiaolong , Sun Di , Tian Yuee , Liu Shengming , Huang Xiaobo , Che Zhiping 
Published: August 2021

AbstractEndeavor to discover biorational natural products‐based fungicides, two series (26) of novel 1‐sulfonyloxy/acyloxydihydroeugenol derivatives (3a–p and 5a–j) were prepared and assessed for their fungicidal activity against P. capsici Leonian, in vitro. Results of fungicidal activity revealed that, among all compounds, especially compounds 3a, 5c, and 5e displayed the most potent anti‐oomycete activity against P. capsici with EC50 values of 69.33, 68.81, and 67.77 mg/L, respectively. Overall, the anti‐oomycete activities of 1‐acyloxydihydroeugenol derivatives (5a–j) were higher than that of 1‐sulfonyloxydihydroeugenol derivatives (3a–p). It is proved that the introduction of the acyl group at hydroxy position of dihydroeugenol is more beneficial to improve its anti‐oomycete activity than that of the sulfonyl group. These preliminary results will pave the way for further modification of dihydroeugenol in the development of potential new fungicides.
On the Lattice Oxygen Evolution Mechanism: Avoiding Pitfalls
Authors: Exner Kai S. 
Published: August 2021

AbstractThe oxygen evolution reaction (OER) is often designated as the enigma in water electrolysis because the development of active and stable OER catalysts is a challenging and formidable task. While ab initio theory in the density functional theory approximation initially focused on the mechanistic description via the OH, O, and OOH adsorbates, in recent years the lattice oxygen evolution reaction (LOER) mechanism attracted increasing attention, given that the LOER is seen as the main reason for catalyst instability under anodic potential conditions. The present concept article critically analyzes the LOER and indicates pitfalls in the interpretation of this mechanistic pathway. A method to assess the energetics of the LOER in relation to conventional OER mechanisms by the compilation of free‐energy diagrams is introduced, which may contribute to enhance our understanding of the competing LOER and OER on the atomic scale. Further works are urgently needed to comprehend the interrelationship for the evolution of gaseous oxygen from the electrolyte or the crystal lattice.
High Thermal Conductivity of Carboxyl‐rich Carbon/Polyethylene Glycol Composites for Enhanced Photothermal Conversion and Latent Heat Storage
Authors: Yang Huizhi , Bai Yufeng , Ge Chunhua , Li Shangyu , Zhang Xiangdong 
Published: August 2021

Main observation and conclusionPolyethylene glycol (PEG) as phase change material (PCM) and carboxyl‐rich carbon (RHTC) with different carboxyl content was introduced to prepare RHTC/PEG composites. The composites have high thermal conductivity, photothermal conversion ability, and improved the phase change enthalpy of the system. The microstructure and thermal properties of the samples were analyzed by various characterization methods. RHTC promoted the benign growth of PEG crystallinity (110.0%), influenced the phase change enthalpy of PEG, and improved the latent heat storage capacity of composites. The non‐leakage loading of PEG in the composites can be as high as 97 wt%, and the actual phase change enthalpy is 10.7 J/g higher than that of pure PEG, 10% higher than the theoretical value. Owing to the heat storage bridge formed between PEG and RHTC, the thermal conductivity of the composites was up to 0.51 W/mK, which was 99.4% higher than that of PEG. Besides, the introduction of environmentally friendly and low‐cost RHTC gives the composites excellent photothermal conversion capability, and its photothermal conversion energy storage efficiency is as high as 90.1%. These results prove that the prepared composites are promising potential candidates in the field of thermal storage and thermal management systems.
Prediction of Multicomponent Reaction Yields Using Machine Learning
Authors: Zhu Xing‐Yong , Ran Chuan‐Kun , Wen Ming , Guo Gui‐Ling , Liu Yuan , Liao Li‐Li , Li Yi‐Zhou , Li Meng‐Long , Yu Da‐Gang 
Published: August 2021

Main observation and conclusionPrediction of reaction yields using machine learning (ML) can help chemists select high‐yielding reactions and provide prior experience before wet‐lab experimenting to improve efficiency. However, the exploration of a multicomponent organic reaction features many complex variables and limited number of experimental data, which are challenging for the application of ML. Herein, we perform yield prediction for the synthesis of 2‐oxazolidones via Cu‐catalyzed radical‐type oxy‐alkylation of allylamines and herteroarylmethylamines with CO2, which is a three‐component reaction. Using physicochemical descriptors as features to launch ML modelling, we find that XGBoost shows significantly improved performance over linear models and these features are effective for the yield prediction. Moreover, out‐of‐sample prediction indicates the application potential of the model. This study demonstrates great potential of regression‐modelling‐based ML in organic synthesis even with complex factors and a general small size of reaction data, which are generated from the classical research pattern of method for the inquiry of multicomponent reactions.
ChemiTEM – Transmission Electron Microscopy Optimized for Chemistry and Material Science
Authors: Hetaba Walid , Imlau Robert , Duarte‐Correa Liseth , Lamoth Maximilian , Kujawa Stephan , Lunkenbein Thomas 
Published: August 2021

AbstractAnalytical transmission electron microscopy (TEM) has become a widely implemented part of the characterization workflow in material science. TEM is the key technique for the investigation of local composition, surfaces, and atomic interfaces, all crucial to the individual function of the corresponding solid. To date, necessary tasks for a thorough spatially resolved study in nanoscience are usually performed by TEM specialists. This can lead to long response times and limits any systematic approach to efficiently elaborate new synthesis protocols. An easy TEM access in chemical laboratories for standardized investigations, e. g., material screening or qualitative compositional analysis would greatly improve research efficiency. We present the development of standard procedures and workflows optimized for non‐expert TEM users. Together with additional automation in hardware and software, the TEM user base can thus be extended, rendering it a standard tool in chemistry laboratories.
A Layered Polydiacetylene Containing Hydrogen‐Bonding 4,4′‐Bipyridyl Guests: Reversible Color Changes with a Wide‐Range Temperature Response
Authors: Mochizuki Yuki , Imai Hiroaki , Oaki Yuya 
Published: August 2021

AbstractLayered organic polymers have intercalation capabilities and dynamic properties. In classical intercalation chemistry, the interlayer guests are intercalated in the host layers via electrostatic interaction. The present work shows the organic layered materials with the host‐guest interlayer interaction via hydrogen bond. Polydiacetylene (PDA) exhibits color changes from blue to red with the application of external stimuli, such as thermal and mechanical stresses. Here we report on a layered PDA containing 4,4′‐bipyridyl in the interlayer space as a hydrogen‐bonding guest. Whereas the layered PDA without interlayer guest shows the color transition at 65 °C, gradual color changes with two‐stage reversibility are observed in the temperature range of −20–240 °C by the introduction of the hydrogen‐bonding guest. The weaker interlayer interaction via the hydrogen bond promotes the dynamic motion directing the thermoresponsive color changes in a wide temperature range.
DeepRLB: A deep reinforcement learning‐based load balancing in data center networks
Authors: Rikhtegar Negar , Bushehrian Omid , Keshtgari Manijeh 
Published: August 2021

SummaryData center networks (DCNs) are facing challenging control problems such as flow scheduling, congestion control, load balancing, and bandwidth allocation when dynamically handling heterogeneous mice and elephant flows. This paper focuses on the load balancing in DCNs as an online decision‐making problem with high complexity (NP‐hard problem). Traditional load balancing approaches are usually the heuristic algorithms relying on the operator's viewpoint and a short‐term knowledge of the traffic conditions and network environment. This paper proposes DeepRLB, a deep reinforcement learning (DRL)‐based load balancing approach for software‐defined networking‐based DCNs which exploits the deep deterministic policy gradient (DDPG) algorithm to adaptively learn the link‐weight values by observing the traffic flow characteristics. The actor and critic neural networks in the DDPG model have been designed based on two learning models: fully connected (DeepRLB‐Full) and convolutional (DeepRLB‐Conv). The output of the model is further used by the controller to determine the forwarding paths for traffic flows accordingly. We evaluated the performance of DeepRLB by comparing it with ECMP as well as a per‐packet load balancing algorithm in three different data center topologies under 30 heterogeneous traffic demand matrices. The obtained results showed that the DeepRLB algorithm outperforms the ECMP with respect to studied load balancing metrics considerably (DeepRLB‐Conv achieved the best performance). As a sample, DeepRLB‐Full and DeepRLB‐Conv were able to reach 19.14% and 24.46% reduction in the total number of over‐utilized and under‐utilized network links compared to ECMP, respectively.
ORY‐1001, a KDM1A inhibitor, inhibits proliferation, and promotes apoptosis of triple negative breast cancer cells by inactivating androgen receptor
Authors: Wang Tian , Zhang Fulin , Sun Fulan 
Published: August 2021

AbstractBreast cancer (BC), which is widely considered as the most common cancer in women around the world, evokes ~1.7 million new BC cases and 522,000 BC‐related deaths each year. Triple negative breast cancer (TNBC) is clinically confirmed as one of the most aggressive subtypes of BC. ORY‐1001, a clinically used lysine specific demethylase 1 (LSD1/KDM1A) inhibitor, was investigated herein to confirm its role in the progression of TNBC and reveal the potential mechanism. After treatment with ORY‐1001 in MDA‐MB‐231 and BT549 cells, the cell proliferation and apoptosis were respectively measured by CCK‐8 and TUNEL assays. The expression of proliferation‐ and apoptosis‐associated proteins was tested by means of western blot analysis. Then, R1881, an androgen receptor (AR) agonist, was used to evaluate whether the effects of ORY‐1001 on proliferation and apoptosis of TNBC cells was mediated by regulating AR. Results indicated that ORY‐1001 treatment restrained the proliferation while enhanced the apoptosis of BC cells, accompanied by the change of proliferation‐ and apoptosis‐related proteins expression. Furthermore, ORY‐1001 reduced the level of AR in BC cells. After the activation of AR by R1881, the decreased proliferation and enhanced apoptosis of BC cells triggered by ORY‐1001 intervention were partially abolished. In conclusion, this paper has presented the first evidence to suggest that ORY‐1001 inhibits proliferation and promotes apoptosis of TNBC cells by suppressing AR expression, which may constitute the theoretical basis for the clinical use of ORY‐1001 in the treatment of this disease.