bluuebunny/crossref_metadata_2025_split huggingface dataset:
Supramolecular Entanglement in a Hydrogen‐Bonded Organic Framework Enables Flexible‐Robust Porosity for Highly Efficient Purification of Natural Gas
Authors: Jiang Chenghao , Wang Jia‐Xin , Liu Di , Wu Enyu , Gu Xiao‐Wen , Zhang Xu , Li Bin , Chen Banglin , Qian Guodong 
Published: April 2024

AbstractThe development of porous materials with flexible‐robust characteristics shows some unique advantages to target high performance for gas separation, but remains a daunting challenge to achieve so far. Herein, we report a carboxyl‐based hydrogen‐bonded organic framework (ZJU‐HOF‐8a) with flexible‐robust porosity for efficient purification of natural gas. ZJU‐HOF‐8a features a four‐fold interpenetrated structure with dia topology, wherein abundant supramolecular entanglements are formed between the adjacent subnetworks through weak intermolecular hydrogen bonds. This structural configuration could not only stabilize the whole framework to establish the permanent porosity, but also enable the framework to show some flexibility due to its weak intermolecular interactions (so‐called flexible‐robust framework). The flexible‐robust porosity of ZJU‐HOF‐8a was exclusively confirmed by gas sorption isotherms and single‐crystal X‐ray diffraction studies, showing that the flexible pore pockets can be opened by C3H8 and n‐C4H10 molecules rather by C2H6 and CH4. This leads to notably higher C3H8 and n‐C4H10 uptakes with enhanced selectivities than C2H6 over CH4 under ambient conditions, affording one of the highest n‐C4H10/CH4 selectivities. The gas‐loaded single‐crystal structures coupled with theoretical simulations reveal that the loading of n‐C4H10 can induce an obvious framework expansion along with pore pocket opening to improve n‐C4H10 uptake and selectivity, while not for C2H6 adsorption. This work suggests an effective strategy of designing flexible‐robust HOFs for improving gas separation properties.
Cu‐supported amine‐functionalized Fe3O4 magnetically recoverable nanocatalyst for A3 coupling reactions
Authors: Banda Prashanth Goud , Kurup Gayathri Bindu , Pooja  , Mounika Bhukya , Pawar Ravinder , Mucherla Raghasudha 
Published: April 2024

In this study, a Cu‐supported amine‐functionalized Fe3O4 nanocatalyst (Fe3O4‐NH2‐Cu) has been synthesized for A3 (amine, aldehyde, and alkyne) coupling reactions. The synthesized nanocatalyst was characterized by PXRD, FT‐IR, FESEM‐EDX, XPS, and VSM analysis. The catalytic action of the synthesized Fe3O4‐NH2‐Cu nanocatalyst was evaluated for A3 coupling reactions, with an excellent product yield of 97% in propargylamine synthesis and 98% in indolizines synthesis, respectively. The substrate scope of the catalyst was validated for various amines, substituted aryl aldehydes, and phenyl acetylene. The uniqueness of the synthesized nanocatalyst is effective performance of the catalyst under solvent‐free conditions and less reaction time for the aforementioned application. With the aid of an external magnet, the catalyst can be easily recovered from the reaction mixture and reused at least for five times without significant loss in catalytic activity, and its structural stability was confirmed by XRD, FT‐IR, and FESEM‐EDX analysis of the recovered catalyst. Overall, it is a green approach to synthesize simple Fe3O4‐NH2‐Cu catalytic system with magnetic recoverability, reusability, and recyclability for A3 coupling reactions under solvent‐free conditions with broad substrate scope. The proposed plausible mechanism is supported by DFT studies.
Harnessing the potential of oilcane waste mud for recovering biobased waxes
Authors: Banerjee Shivali , Eilts Kristen K. , Singh Vijay 
Published: April 2024

AbstractOilcane is an engineered sugarcane with the ability to hyper‐accumulate vegetative lipids. It is processed to obtain juice and bagasse as a potential substrate for the production of biofuels and biochemicals. The juice comprises solid particles that are separated as waste mud before the fermentation of the juice. In this study, the oilcane waste mud (OWM) generated from 1000 liters of oilcane juice was quantified and evaluated as a potential resource for recovering biobased waxes. Hexane and ethyl acetate were evaluated as two different solvents for extracting waxes from OWM followed by its purification using acetone. The extracted biobased wax samples were characterized for their chemical and thermal profiles which were then compared with commercial natural waxes. Detailed mass balance shows that 53.6 ± 2.6 kg (dry basis) of solid OWM gets generated upon processing 1000 L (~1068 kg) of oilcane juice. Hexane and ethyl acetate led to a crude wax yield of 25.6 ± 0.2% and 16.6 ± 0.4% (wt/wt, dry basis) respectively from OWM at the end of 8 h. The relative purification of the wax samples was reported in the range of 58%–65% (wt/wt). The purified OWM wax has a melting point of 74.7°C. The waste mud was valorized as a source of biobased waxes with characteristic chemical and thermal profiles comparable to commercial natural waxes (carnauba and beeswax). Considering the decline in the supply of petroleum wax in the future coupled with the switch to “greener” alternative products by consumers, OWM could be a valuable source of natural wax in the industrial sector reducing the dependence on petroleum waxes. Eventually, recovering biobased wax as a co‐product from OWM would bring in an additional stream of revenue leading to the development of a zero‐waste biorefinery based on bioenergy crops.
Diamondoid Ni(II) Coordination Polymer as an Electrocatalyst for Hydrogen and Oxygen Evolution Reactions and Overall Water Splitting
Authors: Naaz Sanobar , Chatterjee Taposi , Roy Saswati , Dutta Basudeb , Wabaidur Saikh Mohammad , Siddiqui Masoom Raza , Wahid Malik , Mafiz Alam Seikh , Hedayetullah Mir Mohammad 
Published: April 2024

AbstractWe have successfully synthesized a new Ni(II)‐based coordination polymer (CP) [Ni2(cis‐1,4‐chdc)2(4,4′‐bpy)3(H2O)2] (1); (cis‐1,4‐ H2chdc=cis‐1,4‐cyclohexanedicarboxylic acid and 4,4′‐bpy=4,4′‐bipyridine) employing slow diffusion method in a single pot technique. The connectivity of Ni(II) ions and bridging cis‐1,4‐chdc ligand gives rise to a three‐dimensional (3D) framework with 2‐fold interpenetrated diamondoid topology. Interestingly, the synthesized CP acts as efficient catalyst for electrocatalytic water splitting. The water oxidation activity of compound 1 exhibits Tafel slope equivalent to 361.48 mV.dec−1 for hydrogen evolution reaction (HER) and 353.53 mV.dec−1 for oxygen evolution reaction (OER) in an alkaline medium while almost similar values of Tafel slope for HER and OER equivalent to 287.33 mV.dec−1 and 289.93 mV.dec−1 respectively in acidic medium. Thus, the compound 1 has excellent efficacy in catalyzing HER and OER in acidic as well as alkaline medium, which is ascribed to its distinctive 3D architecture.
A repeated cross‐sectional study of daily activities of autistic adults
Authors: Bury Simon M. , Hedley Darren , Uljarević Mirko , Stokes Mark A. , Begeer Sander 
Published: April 2024

AbstractIt is crucial to arrive at a comprehensive understanding of the types of daily activities autistic adults typically engage in. However, previous research has almost exclusively focused on vocational or education activities. Further, it remains unclear how and whether specific daily activities participation rates change proportionally over time, vary by gender, or compare to nationally representative data. Utilizing eight annual data waves from the Netherlands Autism Register (NAR) this study aims to bridge this gap. Participants were 2449 autistic adults who indicated their participation in 18 daily activities. Results suggest that autistic adults engaged most frequently in vocational activities (e.g., paid employment, study) and participation rates were stable over time. Participation rates in non‐vocational activities (e.g., hobbies, homemaking) fluctuated proportionally over time, with reports of no structured daytime activities reducing over time. Labor force participation amongst NAR participants was significantly lower than Dutch population data for the same time periods. Unemployment rates fluctuated, and were significantly higher than population data, but not for all time points. Females compared to males were overrepresented in unpaid daily activities (e.g., study, volunteer, housemaker) and work incapacitation, and underrepresented in paid employment. Employment differences in gender corresponded to national data. These findings characterize more clearly the daily activities of autistic adults, and highlights areas where support may have greater impact (e.g., females in employment).
Post‐mortem rapid aneuploidy testing for holoprosencephaly
Authors: Gergely Lajos , Repiská Vanda , Böhmer Daniel , Korbeľ Miroslav , Václavová Zuzana , McCullough Liam , Melišová Katarína , Priščáková Petra 
Published: April 2024

AbstractBackgroundAbortion and fetal death are common in fetuses with holoprosencephaly, so genetic examinations often have to be made in a post‐mortem setting. The efficiency of the conventional karyotyping using cultured fibroblasts in these situations is limited due to frequent culture failure. In the current study, archived cases of holoprosencephaly, where post‐mortem genetic evaluation was requested and sufficient frozen material was available, were reevaluated using the quantitative fluorescence polymerase chain reaction (QF‐PCR) technique.MethodsTesting for aneuploidies of chromosomes 13, 15, 16, 18, 21, 22, X, and Y with the QF‐PCR technique was carried out on DNA isolated from archived frozen chorionic villi in seven cases of holoprosencephaly.ResultsQF‐PCR was successful in all seven cases. Two cases of trisomy 13, two cases of triploidy, and one case of trisomy 18 was found meaning a 71% diagnostic yield. The success rate of QF‐PCR (100%, 7/7) was superior compared to conventional karyotyping (43%, 3/7).ConclusionsRapid aneuploidy testing using the QF‐PCR technique is a simple, reliable, time‐ and cost‐effective method sufficient to conclude the etiologic investigation in the majority of holoprosencephaly cases post‐mortem.
Towards sustainability: Digital capability, sustainable business model innovation, and corporate environmental responsibility of high‐performing enterprises in an emerging market
Authors: Luo Xingwu , Qian Wei , Liu Min , Yu Xiaodan , Liu Yang 
Published: April 2024

AbstractHigh‐performing enterprises committing to Corporate Environmental Responsibility (CER) is a prevalent phenomenon in emerging markets. However, the theoretical underpinnings of this phenomenon remain underdeveloped. Drawing on the behavior theory of the firm and a panel data of Chinese listed companies covering the period 2010–2020, we build a moderated mediation framework to explain the CER commitment of high‐performing enterprises, and we further examine the mediating role of sustainable business model innovation and the moderating role of digital capability. We find that (1) enterprises' performance aspiration surplus leads to an increasing commitment to CER, (2) high‐performing enterprises can foster CER through executing sustainable business model innovation, and (3) the direct and indirect (via sustainable business model innovation) effects of performance aspiration surplus on CER are favorably moderated by digital capability. This paper contributes to the literature of CER and provides strategic insights for high‐performing enterprises to undertake sustainable business model innovation.
Phytochemical Composition, Antioxidant and Antimicrobial Activity of Three Monarda Species: M. bradburiana L. C. Beck, M. × media Willd., and M. punctata L.
Authors: Gontar Łukasz , Geszprych Anna , Drutowska Andżelika , Osińska Ewa 
Published: April 2024

AbstractPlants of the genus Monarda receive growing interest as the sources of herbal raw materials with wide range of potential applications in food, cosmetics, and phytopharmaceutical industry. This study aimed to evaluate the differences in chemical characteristics and biological activity among different organs of plants representing three underinvestigated species of this genus: Monarda bradburiana L. C. Beck, Monarda × media Willd., and Monarda punctata L. The content of phenolic compounds and the antioxidant activity of leaves, stems, and inflorescences were determined. Essential oil (EO) content, composition, and antimicrobial activity were also examined. M. punctata leaves and inflorescences had the highest EO content (4.43 % and 5.59 %, respectively), with carvacrol as a dominant constituent. Leaf EO was also rich in thymoquinone (17.48 %). In EOs of M. bradburiana and M. × media, thymol dominated. EOs inhibited the growth of all tested strains of microorganisms at a concentration of 0.625 μL×mL−1. The studied plant organs were rich in phenolic compounds, especially rosmarinic acid. M. bradburiana inflorescences were distinguished by high linarin content. Differences in flavonoid distribution seem to have special chemotaxonomic importance. Further research is needed to facilitate standardisation of the investigated plant organs as potential new herbal raw materials.
A Triply Linked Copper(III) Dicarbacorrole Dimer
Authors: Jiao Ruijuan , Liu Ningchao , Zong Zhaohui , Ke Xian‐Sheng 
Published: April 2024

AbstractA triply linked dicarbacorrole dimer (7) was synthesized from a new meso‐meso singly linked dicarbacorrole dimer precursor (6) via an oxidative fusion reaction by 2,3‐dichloro‐5,6‐dicyano‐p‐benzoquinone (DDQ) in the presence of trifluoromethanesulfonic acid (TfOH). Single crystal X‐ray structure of 7 adopts a flat conformation with a length as ca. 15.946 Å and a width as 6.903 Å, which can be regarded as a short carbaporphyrinoid tape. Two coordinated Cu ions keeps the +3 oxidation state in 7, as confirmed by NMR spectroscopy, single crystal X‐ray diffraction and X‐ray photoelectron spectroscopy (XPS). This is in sharp contrast to the Osuka's triply linked tetrapyrrolic corrole dimers, where the inner 3NH form is not stable and thus can only act as a divalent ligand. Due to the non‐aromatic nature of dicarbacorrole macrocycle, the largely decreased HOMO‐LUMO gap and red‐shifted absorption of 7 are best ascribed to the strong electronic interaction between two dipyrromethene‐type chromophores. To our knowledge, this is the first fully fused carbaporphyrinoid dimer with β‐β, meso‐meso, β‐β triply linkages prepared to date.
Kolonnen‐Fouling: Präventivmaßnahmen finden mit der Standardapparatur
Authors: Winterbauer Hansjürgen 
Published: April 2024

ZusammenfassungUnerwünschte Belagbildung auf wärme‐ und/oder stoffübertragenden Oberflächen (Fouling) führt auch in Kolonnen zu Problemen beim Betrieb. Durch erhöhten Energiebedarf und Betriebsstörungen trägt Kolonnen‐Fouling damit auch zur Klimaerwärmung bei. Die im Rahmen des BMWK geförderten Verbundvorhabens SAMARA neu entwickelte Standardapparatur zur Untersuchung von Kolonnen‐Fouling ermöglicht es, Prozesse zur Entstehung und Vermeidung von Fouling in Kolonnen aufzuklären und zielgerichtete Gegenmaßnahmen zu ergreifen.
Co/Fe Dual Catalysis for Sequential Hydrosilylation–Isomerization: Access to Trisubstituted (E)‐Alkenyl Silanes from Terminal Alkynes
Authors: Guo Zhihao , Liu Guixia , Huang Zheng 
Published: April 2024

Comprehensive SummaryBy rational modification of electronic and steric properties of pincer ligands, a Co/Fe dual catalyst system is developed for one‐pot sequential Markovnikov alkyne hydrosilylation and stereoselective alkene isomerization. The protocol provides an atom‐economical and efficient approach to trisubstituted (E)‐alkenyl silanes from widely accessible terminal alkynes with high regio‐ and stereoselectivities under mild conditions. The utility of this reaction was demonstrated by gram‐scale synthesis and derivatization of bioactive molecules. The radical clock and trapping experiments indicated that radical pathway might be operative in the alkene isomerization step.
Gas‐Phase Preparation of the 14π Hückel Polycyclic Aromatic Anthracene and Phenanthrene Isomers (C14H10) via the Propargyl Addition–BenzAnnulation (PABA) Mechanism
Authors: Wang Chang Yang , Zhao Long , Kaiser Ralf I. 
Published: April 2024

AbstractPolycyclic aromatic hydrocarbons (PAHs) imply the missing link between resonantly stabilized free radicals and carbonaceous nanoparticles, commonly referred to as soot particles in combustion systems and interstellar grains in deep space. Whereas gas phase formation pathways to the simplest PAH – naphthalene (C10H8) – are beginning to emerge, reaction pathways leading to the synthesis of the 14π Hückel aromatic PAHs anthracene and phenanthrene (C14H10) are still incomplete. Here, by utilizing a chemical microreactor in conjunction with vacuum ultraviolet (VUV) photoionization (PI) of the products followed by detection of the ions in a reflectron time‐of‐flight mass spectrometer (ReTOF‐MS), the reaction between the 1′‐ and 2′‐methylnaphthyl radicals (C11H9⋅) with the propargyl radical (C3H3⋅) accesses anthracene (C14H10) and phenanthrene (C14H10) via the Propargyl Addition–BenzAnnulation (PABA) mechanism in conjunction with a hydrogen assisted isomerization. The preferential formation of the thermodynamically less stable anthracene isomer compared to phenanthrene suggests a kinetic, rather than a thermodynamics control of the reaction.
Ultrafast Spectroelectrochemistry of the Catechol/o‐Quinone Redox Couple in Aqueous Buffer Solution
Authors: Goia Sofia , Richings Gareth W. , Turner Matthew A. P. , Woolley Jack M. , Tully Joshua J. , Cobb Samuel J. , Burriss Adam , Robinson Ben R. , Macpherson Julie V. , Stavros Vasilios G. 
Published: April 2024

AbstractEumelanin is a natural pigment found in many organisms that provides photoprotection from harmful UV radiation. As a redox‐active biopolymer, the structure of eumelanin is thought to contain different redox states of quinone, including catechol subunits. To further explore the excited state properties of eumelanin, we have investigated the catechol/o‐quinone redox couple by spectroelectrochemical means, in a pH 7.4 aqueous buffered solution, and using a boron doped diamond mesh electrode. At pH 7.4, the two proton, two electron oxidation of catechol is promoted, which facilitates continuous formation of the unstable o‐quinone product in solution. Ultrafast transient absorption (femtosecond to nanosecond) measurements of o‐quinone species involve initial formation of an excited singlet state followed by triplet state formation within 24 ps. In contrast, catechol in aqueous buffer leads to formation of the semiquinone radical Δt>500 ps. Our results demonstrate the rich photochemistry of the catechol/o‐quinone redox couple and provides further insight into the excited state processes of these key building blocks of eumelanin.
Day‐to‐day organizational life and environmental protection: Evidence from Chinese chemical firms
Authors: Yu Irina Y. , Tso Scarlet H. , Chen Shihua , Du Peng 
Published: April 2024

AbstractFocusing on the issue of environmental protection, we conducted an empirical study testing the relationship between day‐to‐day organizational life and organizational behavior in a culture influenced by Confucianism. We first reviewed the major characteristics of organizational life in this cultural context, based on which we proposed a model focusing on the relationship between organizational life and firms' performance in environmental protection. We then conducted an empirical study using data from Chinese firms. Our findings suggested that in a developing society such as China, the more a firm's organizational life stresses the value of “being a noble man,” the value of zhongyong, the family–state concept, and the higher the firm's dependency on resources from the government, the greater the likelihood that the firm will perform well in environmental protection. However, surprisingly, yin/yang balance in organizational life did not seem to improve firms' environmental performance. We conclude this paper with a discussion of the implications of our findings and make suggestions for future research.
Isotopic evidence for seasonal water sources in tree xylem and forest soils
Authors: Floriancic Marius G. , Allen Scott T. , Kirchner James W. 
Published: April 2024

AbstractForest trees greatly influence both the routing of water downward into the subsurface and the re‐routing of water upward through water uptake and transpiration. To reveal how the subsurface soil water pools used by trees change across seasons, we analysed 2 years of stable isotope ratios of precipitation, soil water from different depths (using both bulk sampling and suction‐cup lysimeters), and xylem in a mixed beech and spruce forest. Precipitation as well as mobile and bulk soil waters all showed a distinct seasonal signature; the seasonal amplitude decreased with depth, and mobile soil waters fluctuated less than bulk soil waters. Xylem water signatures in both tree species were similar to the bulk soil water signatures and rather different from the mobile soil water signatures. The beech and spruce trees had different isotope ratios, suggesting the use of different water sources, and these differences were larger under dry antecedent conditions than wet antecedent conditions. Despite these differences, both species predominantly transpired waters with a winter‐precipitation isotopic signature throughout the summer, including during wet conditions when more recent precipitation was available. Over most of the sampling dates, the fraction of recent precipitation (i.e. from the preceding 30 days) in xylem water was low, despite both species typically demonstrating the use of both shallow and deeper soil waters. These results provide evidence that the soil water storages used by these trees are largely filled in winter and bypassed by recent precipitation, implying long residence times.
The resistance of Georgia coastal marshes to hurricanes
Authors: Smith Rachel S. , Pennings Steven C. , Alber Merryl , Craft Christopher , Byers James E. 
Published: April 2024

AbstractEcosystems vary broadly in their responses to disturbance, ranging from highly impacted to resilient or resistant. We conducted a large‐scale analysis of hurricane disturbance effects on coastal marshes by examining 20 years of data from 10 sites covering 100,000 ha at the Georgia Coastal Ecosystems Long‐Term Ecological Research site distributed across gradients of salinity and proximity to the ocean. We analyzed the impacts of Hurricanes Matthew (in 2016) and Irma (in 2017) on marsh biota (plants, crabs, and snails) and physical attributes (erosion, wrack deposition, and sedimentation). We compared these variables prior to the storms (2000–2015) to years with storms (2016, 2017) to those after the storms (2018–2020). Hurricanes generated storm surges that increased water depth and salinity of oligotrophic areas for up to 48 h. Biological variables in the marsh showed few effects of the hurricanes. The only physical variable affected was creek bank slumping; however, slumping had already increased a year before the hurricanes, suggesting that slumping could have a different cause. Thus, our study uncovered only minor, ephemeral impacts on Georgia coastal marshes, highlighting their resistance to hurricane disturbance of the lower magnitude that typically confronts this region of coastline.