bluuebunny/crossref_metadata_2025_split huggingface dataset:
Alcohol‐Induced Strong Metal‐Support Interactions in a Supported Copper/ZnO Catalyst
Authors: Jin Shiqing , Zhang Zekai , Li Didi , Wang Yiming , Lian Cheng , Zhu Minghui 
Published: March 2023

AbstractTuning the strong metal‐support interaction (SMSI) in metal catalysts is a promising strategy to improve their catalytic performance. In this article, we systematically investigated the influences of different alcohol/water mixtures on the evolution of the interfacial structure of Cu/ZnO catalysts in the reduction stage. A series of in situ characterization and theoretical simulation studies were performed to elucidate the various mechanisms of alcohol induced SMSI. It was found that when methanol/water is added to H2 during the reduction pretreatment, more oxygen vacancies are formed on the ZnO support, which facilitates the dissociation of H2O and the hydroxylation of ZnO species. Such promotion eventually favors the SMSI between Cu and ZnO and increases the catalytic activity for the methanol steam reforming reaction. In contrast, the addition of ethanol/water and 1‐propanol/water during reduction leads to a physical blockage of the catalyst by alcohol molecules, poisoning the active Cu sites and limiting the migration of ZnO species.
Csp3−PIII Bond Formation via Cross‐Coupling of Umpolung Carbonyls with Phosphine Halides Catalyzed by Nickel
Authors: Cheng Ruofei , Li Chao‐Jun 
Published: March 2023

AbstractA novel method for the formation of Csp3−PIII bonds via the nickel‐catalyzed cross‐coupling of Umpolung carbonyls and phosphine chlorides is reported herein. This process leads to a series of alkylphosphines, which are characterized as sulfides or borane‐phosphine complexes after undergoing further transformation with moderate to good yields. Invaluable free alkylphosphines can be easily obtained by desulfurization or deboration of the products. A possible mechanistic pathway is also discussed. This report represents the first example of using renewable carbonyls as latent organometallic reagent surrogates for cross‐coupling with heteroatom electrophiles.
Defect‐Free Synthesis of a Fully π‐Conjugated Helical Ladder Polymer and Resolution into a Pair of Enantiomeric Helical Ladders**
Authors: Ikai Tomoyuki , Miyoshi Sayaka , Oki Kosuke , Saha Ranajit , Hijikata Yuh , Yashima Eiji 
Published: March 2023

AbstractFully π‐conjugated ladder polymers with a spiral geometry represent a new class of helical polymers with great potential for organic nanodevices, but there is no precedent for an optically active helical ladder polymer totally composed of achiral units. We now report the defect‐free synthesis and resolution of a fully π‐conjugated helical ladder polymer with a rigid helical cavity, which has been achieved by quantitative and chemoselective acid‐promoted alkyne benzannulations of a rationally designed, random‐coil achiral polymer followed by chromatographic enantioseparation. Because of a sufficiently high helix‐inversion barrier, the isolated excess one‐handed helical ladder polymer with a degree of polymerization of more than 15 showed a strong circular dichroism with a dissymmetry factor of up to 1.7×10−2 and is thermally stable, maintaining its optical activity in solution even at 100 °C, as well‐supported by molecular dynamics simulation.
Photopolymerization‐Driven Macroscopic Mechanical Motions of a Composite Film Containing a Vinyl Coordination Polymer
Authors: Yang Zhan‐Yong , Sang Xiao , Liu Dong , Li Qiu‐Yi , Lang Feifan , Abrahams Brendan F. , Hou Hongwei , Braunstein Pierre , Lang Jian‐Ping 
Published: March 2023

AbstractWe report a unique vinyl coordination polymer (CP), [Zn(4‐Fb)2(tkpvb)]n (1, 4‐HFb=4‐fluorobenzoic acid, tkpvb=1,2,4,5‐tetrakis(4‐pyridylvinyl)benzene) that undergoes a rare photopolymerization reaction to form a two‐dimensional CP integrated with a one‐dimensional linear organic polymer. Upon light irradiation at different wavelengths, 1 exhibits an unprecedented phenomenon of photoinduced nonlinear lattice expansion. 1 can be uniformly dispersed in polyvinyl alcohol (PVA) to form the composite film of 1‐PVA. When this film is exposed to UV light, internal minute stresses within crystallites are released by lattice expansion, resulting in a variety of photopolymerization‐driven macroscopic mechanical motions. The findings provide new insights into the conversion of small lattice expansions of CPs into macroscopic mechanical motions based on photopolymerization reactions, which can promote the development of CPs‐based smart photoactuators in the burgeoning field of microrobotics.
3D Co‐culturing of human neuroblastoma and human oligodendrocytes, emulating native tissue using 3D porous biodegradable liquid crystal elastomers
Authors: Ustunel Senay , Sternbach Sarah , Prévôt Marianne E. , Freeman Ernie J. , McDonough Jennifer A. , Clements Robert J. , Hegmann Elda 
Published: March 2023

AbstractBiomaterials cover and are an integral part of tissue engineering and regenerative medicine fields. They are crucial to mimic endogenous tissue responses and help to eliminate high research costs and ethical concerns that come with 2D systems and animal models. In this study, we present a co‐culturing system wherein neuroblastoma (SH‐SY5Y) and oligodendrocyte (MO3.13) cell lines grow within both a caprolactone‐based 3D elastomer and liquid crystal elastomer (LCE) scaffolding. We also demonstrate that LCE scaffolds promote maturation and differentiation of both cell lines alone, and in co‐culturing fashion as they provide a suitable 3D in vitro environment to study myelination. Additionally, we validate that these scaffolds are suitable for primary cell growth and proliferation using neurons, oligodendrocyte progenitor cells (OPCs) and astrocytes. Our data suggest that responsive LCE scaffolds can effectively impact cellular function, differentiation, and myelination of co‐cultured cell lines, allowing the mimicry of a more endogenous environment and providing support for long term studies to manipulate cellular crosstalk.
Thiourea‐Based Tritopic Halogen‐Bonding Acceptors
Authors: Happonen Lauri , Mattila Milla , Peshev Ivan , Lehikoinen Arttu , Valkonen Arto 
Published: March 2023

AbstractA series of thiourea‐based tritopic receptor molecules were synthesized to be used as building blocks for halogen‐bonded assemblies. Here, 16 new receptor molecules were synthesized from two different 2,4,6‐trialkyl‐1,3,5‐tris(bromomethyl)benzene starting materials via tris(isothiocyanatomethyl)benzene intermediates. The alkyl substituents in the benzene ring proved to be important for isothiocyanate group formation instead of competing thiocyanate group. The synthesis route allowed us to synthesize the isothiocyanate intermediates and further the receptor molecules without the typically used and highly toxic thiophosgene. The synthesized receptor molecules were used to study their halogen‐bond acceptor properties with diiodotetrafluorobenzene donors by single‐crystal X‐ray diffraction method. We were able to obtain five new crystal structures of halogen‐bonded complexes, in which all receptors showed two to four accepted C−I⋅⋅⋅S halogen bonds. The observed halogen bonds were highly directional and showed large variation in C=S⋅⋅⋅I acceptor angles, indicating flexible acceptor properties of sulfur.
Entwicklung von Prototypen für Balkone und Loggien aus Infraleichtbeton (ILC) unter Berücksichtigung bauphysikalischer Aspekte und der Anforderungen aus der Fertigung
Authors: Mendgen Anna 
Published: March 2023

AbstractIm Rahmen des von der DBU (Deutsche Bundesstiftung Umwelt) geförderten Forschungsprojekts ILVO (Vorfabrikation von Fertigteilen aus Infraleichtbeton) wurden 2019–2021 Fertigteile aus ILC für den Geschosswohnungsbau an der TU Berlin entwickelt. Die daraus resultierenden Protoypen wurden 2022–2023 in Form von Modellen in der Ausstellung „Technoscape: The Architecture of Engineers“ (Kuratoren: Maristella Casciato, Pippo Ciorra) im MAXXI Museum in Rom ausgestellt. Das Bauen mit großformatigen Elementen aus Infraleichtbeton (ILC) bietet eine Reihe an Vorteilen gegenüber dem herkömmlichen Bauen mit Wärmedämmverbundsystemen (WDVS). Dies wird im Geschosswohnungsbau insbesondere bei der Konstruktion von Fenstern, Balkonen und Loggien deutlich. Details, die sonst kompliziert und aufwendig sind und gerade im Bereich von Wärmebrücken Probleme aufweisen, können mit Infraleichtbeton neu gedacht werden. Im Folgenden sollen die Vorteile des Bauens mit großformatigen Elementen aus Infraleichtbeton im Geschosswohnungsbau aufgezeigt werden. Darauf aufbauend werden die Grundlagen des Entwurfs, der Konstruktion sowie der Fertigung von großformatigen Elementen aus Infraleichtbeton erklärt und die Entwicklung von drei exemplarischen Prototypen (französischer Balkon, Balkon, Loggia) für den Geschosswohnungsbau erläutert. Weiter wird ein Bezug zum seriellen Bauen im Hochbau und Ingenieurbau hergestellt.
The hydrogen bond between tryptophan and the host molecule induced fluorescence enhancement
Authors: Yang Xi , Xue Ting , Zhao Ran , Liang Han‐Ning , Chen De‐Jun , Yuan Bin , Gu Xun‐Gang , Shen Yong‐Hui , Qin Ling 
Published: March 2023

AbstractTryptophan is one of important amino acids in the human body, therefore its detection is particularly important. The 3,5‐bis(4‐pyridyl)‐4‐amino‐1,2,4‐triazole (BPAT) organic molecule was designed to be used as fluorescence detectors to detect tryptophan molecules for the interaction between the host and the guest. BPAT shows good sensitivity and selectivity towards tryptophan compared with other amino acid molecules. The limit of detection obtained from formula 3δ/KSV is considered to be 5.43 × 10−7 mol/L. We speculated that this change is mainly caused by the hydrogen bond between tryptophan and the host molecule BPAT. This conjecture was verified by the controlled experiments with other host molecules.
Leveraging mathematical models for optimizing filter utility at manufacturing scale
Authors: Rose Steven , Dhingra Ashna , Joseph Adrian , Coffman Jon 
Published: March 2023

AbstractIn the production of biopharmaceuticals depth filters followed by sterile filters are often employed to remove residual cell debris present in the feed stream. In the back drop of a global pandemic, supply chains associated with the production of biopharmaceuticals have been constrained. These constraints have limited the available amount of depth filters for the manufacture of biologics. This has placed manufacturing facilities in a difficult position having to choose between running processes with reduced number of depth filters and risking a failed batch or the prospect of plants going into temporary shutdown until the depth filter resources are replenished. This communication describes a modeling based method that leverages manufacturing scale filtration data to predict the depth filter performance with a reduced number of filters and an increased operational flux. This method can be used to quantify the acceptable level of area reduction before which the filtration process performance is affected. This enables facilities to manage their filter inventory avoiding potential plant shutdowns and reduces the risks of negative depth filter performance.
Design, Synthesis and Antitumor Activity of FAK/PLK1 Dual Inhibitors with Quinazolinone as the Skeleton
Authors: Sun Juan , Fang Ze‐Yu , Tao Yi‐Nuo , Zhang Yi‐Heng , Zhang Yao , Sun Hai‐Ya , Zhou Yang , Wu Yuan‐Feng 
Published: March 2023

AbstractFebrifugine is a kind of quinazolinone compound with high biological activity from a Chinese herb called Chang Shan (Dichroa febrifuga). Febrifugine and its derivatives possess extensive biological activities, some of which exhibited anti‐tumor activities as FAK inhibitors. However, they are not very effective at inhibiting tumor metastasis, perhaps because tumors gain energy through compensatory activation of other signaling pathways that promote cell migration and invasion. Therefore, seventeen novel febrifugine derivatives with quinazolinone skeleton were designed, synthesized and acted as potential FAK/PLK1 dual inhibitors. These compounds were determined by 1H‐NMR, 13C‐NMR and MS. Most of the compounds exhibited good inhibitory activity against cancer cell lines by computer‐assisted screening, antitumor activity test and FAK/PLK1 inhibitory activity test, wherein compound 3b was screened as a high‐efficiency lead compound.
Aqueous Rosa damascena extract: Antibacterial activity and its role of adhesion to human epithelial cells in vitro
Authors: Alsafi Alaa , AlKaabi Siham Jasim 
Published: March 2023

AbstractThe current study aimed to investigate the inhibitory activity of aqueous extracts of different plant parts of Rosa damascena, represented by the whole rose, petals, and calyces, against clinical isolates of Staphylococcus spp., Escherichia coli, and Klebsiella pneumoniae, and the inhibition of the bacterial cell. The isolates were obtained from the advanced microbiology laboratory for postgraduate studies in the Department of Biology, Faculty of Education for Girls. They were isolated from urinary tract infections, which were subsequently subjected to diagnosis by the Vitek‐2 compact system to confirm the type of bacteria as well as their sensitivity to antibiotics. The results obtained included Staphylococcus aureus, Staphylococcus haemolyticus, Staphylococcus lentus, Staphylococcus saprophyticus, E. coli, and K. pneumoniae. A test was conducted to investigate the microbiological inhibitory activity of aqueous plant extracts of the whole rose, petals, and calyces using the well diffusion method and three concentrations of each aqueous extract (25, 50, and 100 mg/ml). The results showed the inhibitory ability of all concentrations of the different extracts toward Staphylococcus spp., and E. coli and K. pneumoniae bacteria were not affected by the different concentrations of the plant extract. The concentration of (100 mg/ml) for the aqueous extract was the most efficient in inhibiting growth compared to the other concentrations. The synergistic effect of three antibiotics was examined (Amoxicillin‐clavulanate 10/20 μg, Piperacillin 100 μg, Trimethoprim‐sulfamethoxazole 23.75/1.25 μg) and for all concentrations of the aqueous plant extract was investigated in both E. coli and K. pneumoniae, as it found a synergistic action between some of the antibiotics and extracts towards inhibiting the growth of the two bacterial isolates Resistance to the plant extract alone. Bacterial isolates showed a significant decrease in the rate of adhesion to epithelial cells isolated from urine samples of healthy women in the presence of the aqueous extract of whole rose, petals, and calyces at their three concentrations compared with the control treatment.
Discovery and Characterization of a Baeyer‐Villiger Monooxygenase Using Sequence Similarity Network Analysis
Authors: Sakoleva Thaleia , Austin Harry P. , Tzima Chrysoula , Dörr Mark , Bornscheuer Uwe T. 
Published: March 2023

AbstractBaeyer‐Villiger monooxygenases (BVMOs) are important flavin‐dependent enzymes which perform oxygen insertion reactions leading to valuable products. As reported in many studies, BVMOs are usually unstable during application, preventing a wider usage in biocatalysis. Here, we discovered a novel NADPH‐dependent BVMO which originates from Halopolyspora algeriensis using sequence similarity networks (SSNs). The enzyme is stable at temperatures between 10 °C to 30 °C up to five days after the purification, and yields the normal ester product. In this study, the substrate scope was investigated for a broad range of aliphatic ketones and the enzyme was biochemically characterized to identify optimum reaction conditions. The best substrate (86 % conversion) was 2‐dodecanone using purified enzyme. This novel BVMO could potentially be applied as part of an enzymatic cascade or in bioprocesses which utilize aliphatic alkanes as feedstock.
Infection and myelodysplasia: A case report of GATA2 deficiency in a South African patient
Authors: Nell Erica‐Mari , Cornellissen Helena , Hodkinson Katherine , Urban Michael F. , Bassa Fatima Cassim , Fazel Fatima Bibi , Wiggill Tracey , Irusen Semira , Chapanduka Zivanai C. 
Published: March 2023

AbstractRare diseases often result in delays in diagnosis. It is important to recognize conditions that have features of both inborn errors of immunity and predispose to myeloid neoplasia. Here we report a patient with GATA2 deficiency that presented with disseminated non‐tuberculous mycobacterial infection and pancytopenia secondary to myelodysplastic syndrome.
Pseudomyxoma peritonei induced by a well‐differentiated appendicular mucinous adenocarcinoma: An uncommon cause of isolated ascites in a young man patient
Authors: Randriamifidy Nitah Harivony , Ranaivoson Mirana Andoniaina Christiana , Ramiandrasoa Andriamampihantona Lalaoarifetra , Razafindrazoto Chantelli Iamblaudiot , Ranaivomanana Volahasina Francine , Hasina Laingonirina Domoina Harivonjy , Rakotomaharo Mialitiana , Rakotoniaina Henintsoa , Randrianiaina Antsa Fihobiana , Rasolonjatovo Anjaramalala Sitraka , Rakotozafindrabe Andry Lalaina Rinà , Rabenjanahary Tovo Harimanana , Razafimahefa Soloniaina Hélio , Rafaramino Florine , Ramanampamonjy Rado Manitrala 
Published: March 2023

AbstractPseudomyxoma peritonei (PMP) remains difficult to diagnose and has a reserved prognosis. Pseudomyxoma peritonei is a rare entity, of appendicular origin in the majority of cases. Its clinical symptomatology is not specific, and the diagnosis is evoked by imaging and surgery and confirmed by histology.
Insight into Electrochemical Promotion of Cu/Co3O4 Catalysts for the Reverse Water Gas Shift Reaction
Authors: Wang Ju , Couillard Martin , Baranova Elena A. 
Published: March 2023

AbstractIn this study, Copper‐modified Co3O4 (Cu/Co3O4) catalysts were investigated for the reverse water gas shift (RWGS) reaction at 200–400 °C under different CO2 : H2 ratios. It was found that the electrocatalytic performance of Co3O4 was improved by loading 4 weight percent (wt.%) Cu nanoparticles (average size: 13 nm), which could be then used as an electrode in electrochemical promotion of catalysis (EPOC) studies. Under the applied voltages of +2 V and −1 V, the catalytic rates were suppressed and increased by about 40 % and 14 %, respectively. This was due to the changes in the active oxidation states of Cu and Co caused by O2− migration under polarization, as confirmed by XPS, XRD, and cyclic voltammetry (CV). The study also revealed that the exchange current density (i0) was counter‐correlated with the open‐circuit catalytic rate (r0) and could serve as an informative tool for predicting the catalytic rate, which was demonstrated for the first time in the instance of RWGS reaction.
Mixing Efficiency of Viscous Fluid in a Multiple‐Impeller Agitated Tank
Authors: Shiue Angus , Chen Qianqiao , Chen Yi-Ting , Jeng Jyh-Cheng , Leggett Graham 
Published: March 2023

AbstractThe development of a multi‐impeller reactor for the mixing of non‐Newtonian fluids under full flow regime conditions depends on mixing time, power consumption, and mixing energy. These parameters must be well‐defined with 3‐blade propellers, 4‐pitched turbines, and 6‐flat‐blade turbines. An innovative expression of mixing time for the thermal pulse disturbance method is introduced. The Buckingham's π‐theorem was utilized to denominate and transfer dimensionless power and homogenization number. To achieve consistent mixing, the results indicated that axial flow of the 4‐pitched‐blade turbine is the most effective approach. The examined correlation is a functional tool to determine the mixing energy based on the measured specific power consumption and mixing time.
Oxanorbornene‐Fused Phenazine‐Pyrene Scaffolds with Different Configurations
Authors: Ye Liping , Miao Qian 
Published: March 2023

AbstractNew molecular scaffolds of C‐, Z‐ and box‐shaped configurations are constructed by fusing phenazine and pyrene units with oxanorbornene. As revealed by X‐ray crystallography, the C‐shaped molecules exhibit two interesting π‐π stacking modes of phenazine depending on the substituting groups, and the box‐shaped molecule accommodates two chloroform molecules in the cavity and forms H‐bonds with another four molecules of chloroform. The C‐ and Z‐shaped molecules as a pair of diastereomers exhibit almost the same charge transfer absorption and emission including positive solvatochromism, indicating that the intramolecular charge transfer between pyrene (π‐donor) and phenazine (π‐acceptor) is not dependent on the overall molecular geometry.
Electronic Structure and Aromaticity of an Unusual Cyclo[18]carbon Precursor, C18Br6**
Authors: Wang Xia , Liu Zeyu , Wang Jiaojiao , Lu Tian , Xiong Weiwei , Yan Xiufen , Zhao Mengdi , Orozco‐Ic Mesías 
Published: March 2023

AbstractHerein, the electronic structure and bonding character of the stable cyclo[18]carbon (C18) precursor, C18Br6, are thoroughly characterized by molecular orbital (MO), density of states (DOS), bond order (BO), and interaction region indicator (IRI) analyses. The delocalization characters of out‐of‐plane and in‐plane π‐electrons (labeled as πout‐ and πin‐electrons, respectively) in bonding regions were examined using localized orbital locator (LOL) and electron localization function (ELF). The aromaticity was investigated, studying the molecular magnetic response to external magnetic field by computing the magnetically induced current density (Jind), iso‐chemical shielding surface (ICSS), anisotropy of the induced current density (AICD), and the induced magnetic field (Bind). All these analyses indicate that C18Br6 is a globally aromatic species with lower aromaticity than C18, and the blocking of in‐plane π‐conjugation (labeled as πin‐conjugation) by the presence of ‐Br substituents in it is the underlying cause for the weakening of molecular aromaticity.
Photocatalytic Aerobic Cyclization of N‐Propargylamides Enabled by Selenium‐π‐Acid Catalysis
Authors: Wang Yong‐Hao , Jiang You‐Qin , Zhang Yun‐Qian , Ling Yong , Ming Liang , Liu Gong‐Qing 
Published: March 2023

AbstractA dual catalytic approach combining photocatalyst and selenium‐π‐acid synergy has been used to cyclized of N‐propargylamides. This method offers readily access to oxazole aldehydes under chemical oxidant‐free conditions with low catalyst loadings, where air acts as a terminal and gratuitous oxidant. The reaction is demonstrated with a range of substrates, including aryl and alkyl propargyl amides, and in the late‐stage functionalization of several amide‐containing drug molecules. Mechanistic studies suggest that the acridinium catalyst is able to oxidize diselenide and generate singlet oxygen (1O2), which is responsible for this transformation.
(Co‐)Oligomerization of Olefins to Hydrocarbon Fuels: Influence of Feed Composition and Pressure
Authors: Fuchs Constantin , Arnold Ulrich , Sauer Jörg 
Published: March 2023

AbstractThe co‐oligomerization of methanol‐based C2‐4 olefins on a heterogeneous nickel silica‐alumina catalyst enables the production of fuel‐range hydrocarbons. The objective of this study was the production of gasoline and jet fuel, which was achieved with an overall selectivity of above 90 %. The influence of olefin feed composition and pressure was investigated at 120 °C. By employing olefin mixtures instead of one single olefin, selectivity to specific chain lengths decreases and quantities of the individual products converge. An increase of olefin pressure from 16 to 32 bar slightly shifts the liquid products to shorter oligomers and raises feed conversion.