bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxidation of Methyl Linoleate in Triton X‐100 Micelles Initiated by Lipid‐soluble Initiator 2,2′‐Azobis (2,4‐dimethylvaleronitrile)
Authors: Moskalenko Ivan V. , Borodin Leonid I. , Novikov Alexander S. 
Published: July 2023

AbstractThis article discusses the oxidation of methyl linoleate in micelles, initiated by the lipid‐soluble initiator 2,2′‐azobis (2,4‐dimethylvaleronitrile) (AMVN). It was shown that the rate constant (ki) is initiated in micelles for AMVN significantly lower than the known rate constant of initiation in true solutions. This can be explained by the reduced probability of AMVN radicals leaving the cage and an increase in the rate of chain termination between initiator radicals under conditions of low oxygen content. This conclusion was confirmed by quantum chemical calculations. Surprisingly, when determining the AMVN initiation rate constant for the consumption of nitroxyl radicals (>NO⋅), the ki depends on the concentration >NO⋅, this is due to the dependence of the probability of the nitroxyl radical and initiator radicals in micelles meeting on their concentration. Upon initiation of AMVN, no hydroperoxyl radical is expelled.
Halide‐Triel Bonds between R3SiX (X=F, Cl and Br) and TrY3 (Tr=Al, B and Ga)
Authors: Deuri Sanjib , Pathak Dipanjali 
Published: July 2023

AbstractHalide‐triel bonds between halosilane donors and alane/borane/gallane acceptors are investigated considering 24 model complexes using quantum chemical calculations. Nature and strength of Si−X….Tr interactions (X=F, Cl, Br and Tr=Al, B, Ga) binding these complexes has been studied using Electrostatic Potential (ESP), Quantum Theory of Atoms in Molecules (QTAIM), Natural Bond Orbital (NBO), and Energy Decomposition Analysis (EDA) techniques. Basis Set Superposition Error (BSSE) corrected binding energy of the complexes ranges from −3.19 to −29.40 kcal mol−1. QTAIM parameters Laplacian and the total electron density at the Bond Critical Points (BCPs) indicate that the halide‐triel bonds studied here are largely electrostatic in nature (closed‐shell interactions); this has also been revealed through ESP analysis and EDA scheme. In addition, role of charge transfer in these halide‐triel bonds has also been established through NBO analysis. Two charge transfer orbital interactions are responsible for the primary interaction Si−X….Tr:
and σ(Si−X)
. EDA analysis identifies electrostatic term as the biggest contributor towards the binding of the complexes followed by the polarisation and dispersion terms in most of the complexes. Results of this study have relevance in the Si−F bond activation methodology in organic synthesis.
Preparation of Fe3O4/SiO2@CDS@Pt Micromotors for Dual‐Mode Detection of Blood Lead
Authors: Lv Wenzhi , Shao Shuibin , Zhang Junyue , Li Jianying , Huang Yali , Mao Chun 
Published: July 2023

AbstractIt is necessary to accurately detect the content of lead in blood. Here, we investigate the preparation of magnetic mesoporous silica tubular (MMST) micromotors and their application in blood lead detection. Specifically, a magnetic MMST/Carbon dots (CDs)/Pt tubular micromotor with fluorescence property and autonomous motion ability was prepared. Results show that the micromotor has a dual response of fluorescence and speed to trace lead ions in blood. In the blood lead concentration range (0.001 ng/mL–31.62 ng/mL), the fluorescence intensity and movement speed of the micromotor have a linear relationship with the blood lead concentration, respectively. This dual‐detection platform provides a new idea for the detection of blood lead. It is the first time to combine the quantum dots and the motion rate of motor to detect lead ions in blood. It may have some potential value in the field of biosensors in the future.
Photoinduced Deaminative Alkylation of Quinoxalin‐2(1H)‐ones via an Electron Donor‐Acceptor Complex
Authors: Jiao Haoran , Niu Kaikai , Song Hongjian , Liu Yuxiu , Wang Qingmin 
Published: July 2023

AbstractFormation of C−C bonds by cleavage of the C(sp3)−N bonds of readily available alkyl amines is a valuable transformation. Herein, we report a method for oxidant‐ and metal‐free photoinduced deaminative alkylation of quinoxalin‐2(1H)‐ones with Katritzky salts as alkyl radical sources. Various alkyl radicals could easily be generated by single‐electron reduction of electron donor–acceptor complexes between the Katritzky salts and sodium acetate. This green, sustainable, operationally simple method has a broad substrate scope, and can be used for gram‐scale synthesis, and late‐stage modification of pharmaceutically relevant molecules.
Multispectroscopic Studies on HSA Interaction, DFT Calculations, Molecular Docking, and Antimicrobial Activities of Imine‐ Functionalized Tris(hydroxymethyl)aminomethane Derivatives
Authors: Hiremath Kavita B. , Shivashankar Murugesh , Chandrasekaran Natarajan 
Published: July 2023

AbstractFollowing recent work on new Tris hydroxymethyl aminomethane Schiff base derivatives were synthesized and characterized by using NMR (1H, 13C, and depth), FT‐IR, and Mass spectroscopy. The crystal structure of STB has been determined by X‐ray diffraction analysis. The binding interaction of the 3 chemically synthesized molecules with human serum albumin has been examined under the pH=7.40 through UV‐visible absorption and fluorescence spectroscopy analysis. The result obtained from the fluorescence experiment (1014) suggests a static mechanism of quenching. By utilizing fluorescence spectroscopy to determine the binding constant (Kb=106), it was determined which ligands have the highest affinity for HSA and that these ligands had changed the structure of HSA. Through hydrophobic interactions, the ligands bind to HSA on site I (subdomain II), according to thermodynamic parameters like enthalpy change (ΔHo), entropy change (ΔSo), and Gibbs free energy change (ΔGo). The result of 3D fluorescence spectra also showed that albumin conformational changes were brought on by these ligands. The results of the experiments were supported by DFT and molecular docking of ligands with HSA. Escherichia coli, Stap. aureus, Aspergillus niger, and Aspergillus flavus were tested for antimicrobial activity against the synthesized compounds respectively.
Two‐Step Synthesis of Trisubstituted Trifluoromethyl Cyclopropanes Using in situ Generated CF3CHN2
Authors: Nosik Pavel S. , Mykhalchuk Yaroslav V. , Liashuk Oleksandr S. , Kysil Andriy I. , Grygorenko Oleksandr O. 
Published: July 2023

AbstractA metal‐free two‐step approach for the synthesis of trisubstituted CF3‐cyclopropanes is reported. The method involves [3+2] cycloaddition of electron‐poor alkenes and in situ generated 2,2,2‐trifluorodiazoethane, followed by N2 extrusion from intermediate pyrazolines. The protocol offers good yields of 39–90 %, is compatible with a range of functional groups, and enables multigram preparation on a scale of up to 30 grams. The method is limited by 1,1‐disubstituted alkene partners, and both cycloaddition and N2 extrusion steps are not stereoselective, resulting in ca. 1 : 1 mixtures of diastereomers. Nevertheless, the stereoisomeric mixtures can be separated at further steps by column chromatography or crystallization, thus allowing to produce diverse diastereopure (poly)functionalized CF3‐cyclopropane building blocks relevant to drug discovery.
Amplified Ferroptosis and Apoptosis Facilitated by Differentiation Therapy Efficiently Suppress the Progression of Osteosarcoma
Authors: He Chao , Jiang Yuhang , Guo Yuan , Wu Zenghui 
Published: July 2023

AbstractOsteosarcoma (OS) is the most frequent osseous neoplasm among young people aged 10–20. Currently, the leading treatment for osteosarcoma is a combination of surgery and chemotherapy. However, the mortality remains high due to chemoresistance, metastasis, and recurrence, attributing to the existence of cancer stem cells (CSCs) as reported. To target CSCs, differentiation therapy attracts increasing attention, inducing CSCs to bulk tumor cells with elevated reactive oxygen species (ROS) levels and less chemoresistance. Moreover, increasing studies have implied that ferroptosis is a promising approach to eliminating cancer cells through eliciting oxidative damage and subsequent apoptosis, effectively bypassing chemoresistance. Here, a cancer‐cell‐membrane‐decorated biocompatible formulation (GA‐Fe@CMRALi liposome) is constructed to combat OS efficiently by combining distinct differentiation and ferroptosis therapies through magnified ROS‐triggered ferroptosis and apoptosis with homologous target capability to tumor sites. The combinational approach exhibited favorable therapeutic efficacy against OS in vitro and in vivo. Impressively, the potential mechanisms are revealed by mRNA sequencing. This study provides a tactical design and typical paradigm of the synergized differentiation and ferroptosis therapies to combat heterogeneous OS.
A species‐level phylogenetic framework and infrageneric classification for the genusMaesa(Primulaceae)
Authors: Sumanon Pirada , Balslev Henrik , Utteridge Timothy M.A. , Eiserhardt Wolf L. 
Published: July 2023

AbstractThe systematization ofMaesa, a genus of almost 200 species, has haunted taxonomists for more than a century due to its lack of distinct qualitative characters or discontinuities in quantitative characters for species delimitation. The clarification of phylogenetic relationships in such a problematic genus likeMaesais essential to aid infrageneric classification and species delimitation. Here, a species‐level phylogenetic tree ofMaesais reconstructed. Leaf materials were sampled mainly from herbarium specimens which cover 60% of the species across the entire distribution range of the genus. Targeted sequence capture with the Angiosperms353 probe set was used to acquire sequences for downstream bioinformatic analyses. We obtained a species tree inferred from 310 gene trees that dividesMaesainto an African clade and an Asian‐Pacific clade. The African clade is further divided into two subclades, while the Asian‐Pacific clade is divided into three subclades; all subclades are well supported. Hence, we propose five subgenera ofMaesa, namelyM. subg.Maesa, subg.Indicae, subg.Monotaxis, subg.Papuanaeand subg.Ramentaceae. In addition, we scrutinize some species complexes within the genus; however, with the lack of phylogenetic signal at shallow levels, we are unable to conclusively resolve all species boundaries in these complexes. This study provides the phylogenomic framework to untangle taxonomic problems in the genusMaesaand lays the foundation for further detailed studies in biogeography, trait evolution and population genetics.
Fabrication of TiO2 nanotubes with effect of water and in‐situ condition for biomedical application
Authors: Purusothaman Mani , Sivaprakash Vetrivel , Bruno A. Dyson , Sekar Subramani , Martin L. 
Published: July 2023

AbstractSynthesis of TiO2 nanotubes on titanium alloys for environmental and energy applications are highly encouraged by medical industries. Formation of nanotubes on titanium material delivers superior properties in the view of phase transformation, surface morphological, nanomechanical properties, and corrosion resistances. In this research work, synthesis of TiO2 nanotubes under 8 and 12 Vol. % of water content with in‐situ voltage condition. The fabricated nanotubes surface morphology was analyzed with the use of HR‐Sem. The formation of nanotubes surface has been identified with composite faces of smooth and rough (length of 1.6 and 1.8 μm) by the effect of water content and voltage variations. The nanomechanical properties were analyzed with nanoindentation Pmax received as max of 265 and min of 248 μN. Nanotubes strength depends on the nanotubes length. Potentiodynamic polarization analysis indicated that combination of smooth and rough surfaces was highly encouraging the corrosion resistances.
Briquette quality assessment from corn husk, bagasse, and cassava roots using banana peels, wastepaper, and clay soil as binders
Authors: Sweya Lukuba N. , Chacha Nyangi T. , Saitoti Joshua 
Published: July 2023

AbstractThe study assessed quality of briquettes produced from bagasse (B), corn husk (CH), and cassava roots (CR) using banana peels (BP), wastepaper (WP), and clay soil (CS) as binders. Mixing ratios were established from carbonized materials, and briquettes physical and combustion properties were determined. Weak shatter resistance appeared in WP, CS briquettes had best tumbling resistances while WP briquettes had better water penetration. CS briquettes (3:1:1) had low (2.7%) moisture content (MC), and 1:3:1 had low (28%) volatile matter (VM) while the highest was 41% for 2:2:1. Ash content (AC) for 2:2:1 was the highest (41%) with highest heating value (HV). BP briquettes for 0:4:1 (CH:CR:BP) had the lowest MC (4.9%), whereas 2:2:1 (B:CH:BP) had the highest VM (41.5%). AC (15.5%) for 1:3:1 was the highest while 2:2:1 (CH:CR) had the highest HV. WP briquettes 1:3:1 (B:CH) had the lowest MC (2%) and 3:1:1 had highest VM (35%), while the highest AC appeared for 4:0:1. The 2:2:1 (B:CR:WP) briquette yielded the highest HV (25.5 MJ/Kg). All materials were suitable for briquetting, although their qualities are sensitive to weather conditions. Together with BP briquettes, WP briquettes 2:2:1 (B:CR:WP) produce the best results, especially when using CR and CH feedstocks.
Integration of organoids in peptide drug discovery: Rise of the high‐throughput screening
Authors: Zhang Siqi , Shen Jieting , Wang Xingkai , Sun Xiaona , Wu Yuxuan , Zhang Ming‐Rong , Wang Rui , Hu Kuan 
Published: July 2023

AbstractOrganoids are three‐dimensional cell aggregates with near‐physiologic cell behaviors and can undergo long‐term expansion in vitro. They are amenable to high‐throughput drug screening processes, which renders them a viable preclinical model for drug development. The procedure of organoid‐based high‐throughput screening has been extensively employed to discover small‐molecule drugs, encompassing the steps of generating organoids, examining efficient drugs in organoid cultures, and data assessment. Compared to small molecules, peptides are more straightforward to synthesize, can be modified chemically, and demonstrate high target specificity and low cytotoxicity. Therefore, they have emerged as promising carriers to deliver drugs to disease‐associated targets and could be efficient therapeutic drugs for various diseases. To date, organoids have been used to evaluate the efficacy of certain peptide agents; however, no organoid‐based high‐throughput screening of peptide drugs has been reported. Given the advantages of peptide drugs, there is an urgent need to establish organoid‐based peptide high‐throughput screening platforms. In this review, we discuss the typical approach of screening small‐molecular drugs with the use of organoid cultures, as well as provide an overview of the studies that have incorporated organoids in peptide research. Drawing on the knowledge from small molecular screens, we explore the difficulties and potential avenues for creating new platforms to identify peptide agents using organoid models.
Clustered conflicts in disturbed lowlands characterize human–tiger interactions in Aceh, Indonesia
Authors: Figel Joe J. , Safriansyah Renaldi , Baabud Said F. , Herman Zulfan 
Published: July 2023

AbstractConflict with humans is a severe threat to critically endangered Sumatran tigers Panthera tigris sumatrae. To better inform human‐tiger conflict (HTC) management in Aceh, Sumatra, we analysed 96 cases of HTC reported to, and verified by, local government authorities between 2017 and 2021. Livestock depredation (49%) and people reporting fear or anxiety upon tiger sightings (39%) comprised most incidents. We found significant differences in the frequency of HTC cases among land cover types in Aceh (x2 = 160.4, df = 4, p < 0.001). During our study period, oil palm plantations covered 9.5% of Aceh's land surface but represented the dominant habitat type in 46.9% of the province's HTC cases. By enabling a better understanding of landscape variables and patterns associated with HTC, this study will help to develop management strategies to advance tiger conservation and support rural livelihoods in Aceh, one of the last remaining Sumatran tiger strongholds.
Science‐driven guidelines needed to better manage and conserve black vultures in North America
Authors: Rush Scott A. , Buckley Neil J. , Zollner Patrick A. , Kluever Bryan M. , McWherter Brooke L. , Burcham Grant N. , Ma Zhao , Wahl Marian L. , Naveda‐Rodríguez Adrián 
Published: July 2023

AbstractBlack vultures (Coragyps atratus) provide invaluable ecological services through disposal of carrion and the mobilization of energy within the landscape. Human‐wildlife conflicts with these birds have increased as populations have grown and the species distribution has expanded. We identify critical science needed to understand conflict between black vultures and humans to inform effective management of this species in North America. It is imperative that diagnostic criteria supporting the identification of the impacts of black vulture on livestock be standardized and verified. Management guidelines that take these criteria into account will enable reduction in the potential for black‐vulture‐farmer conflict and allow us to properly investigate such conflict when it occurs.
Experimental investigations of two‐electron relaxation processes in Rydberg hollow atoms
Authors: Jabłoński Łukasz , Banaś Dariusz , Jagodziński Paweł , Kubala‐Kukuś Aldona , Sobota Daniel , Stabrawa Ilona , Szary Karol , Pajek Marek 
Published: July 2023

AbstractThe two‐electron relaxation processes in Rydberg hollow atoms (RHA), formed in collisions of slow highly charged ions (HCI) of Xe (q = 23–36) with metallic Be surface, were studied experimentally by means of X‐ray spectroscopy. The pulsed beams of HCI were delivered by the electron beam ion source while the emitted X‐rays were observed by a silicon drift detector. From the measured spectra of M‐X‐rays, dominated by the Paschen series of nf3d one‐electron‐one photon radiative (R) transitions, the relaxation processes involving two electrons, namely, the internal dielectronic excitation, interatomic Coulombic decay, two‐electron‐one photon transitions and the Auger transition (A), were extracted. The dead‐time effect in X‐ray detector for a pulsed ion beam of HCI was considered in order to estimate the Auger decay rates. Finally, we demonstrate that the present results give access to estimate a time‐scale of relaxation of RHA in solids.
Stereochemically Pure Si‐Chiral Aminochlorosilanes
Authors: Kümper Manuel , Götz Tobias , Espinosa‐Jalapa Noel Angel , Falk Alexander , Rothfelder Robin , Bauer Jonathan O. 
Published: July 2023

AbstractSilicon‐based compounds with stereochemical information and convertible functional units are valuable building blocks in synthetic chemistry. Si‐stereogenic aminochlorosilanes are built up by Si−N bond formation between an achiral dichlorosilane and a chiral enantiomerically pure primary amine. Both diastereomers could be isolated as stereochemically pure single‐crystals by fractional crystallization and were analyzed by X‐ray crystallography. Defined intermolecular interaction patterns were identified illustrating the role of N−H⋅⋅⋅π, C−H⋅⋅⋅π, and N−H⋅⋅⋅Cl contacts in the molecular crystalline packing arrangements. Stepwise functionalization of the silicon−chlorine and silicon−amine functions was carried out, demonstrating their potential for use as a chiral synthesis precursors. Via optically pure aminomethoxysilanes, enantiomerically enriched methoxysilanols, chloromethoxysilanes, and methoxysilanethiols were synthesized. The stereospecificity of the transformations was monitored. The (R)‐BINOL‐PSSLi method for determining the enantiomeric purity was found to be the tool of choice for acid‐sensitive silanols and silanethiols.
Formation of [K(18‐crown‐6)]2Bi2 and the influence of 18‐crown‐6 on the crystallization of bismuth‐based Zintl clusters obtained from Bi22−
Authors: Schmidt Andreas , Peerless Benjamin , Dehnen Stefanie 
Published: July 2023

AbstractSo far, homoatomic polybismuthide Zintl anions, which can be used as starting materials for larger binary or ternary, bismuth‐based clusters, have always been isolated from potassium‐based Zintl phases using 4,7,13,16,21,24‐hexaoxa‐1,10‐diazabicyclo[8.8.8]hexacosane (crypt‐222) to sequester the K+ counterions. The formation of larger clusters from such anions is still poorly understood, and a change of the sequestering agent might lead to the crystallization of missing links in the cluster formation pathways, which is why – in addition to cost considerations – such variants are being investigated. Herein, we present the synthesis and characterization of the first homoatomic polybismuthide salt with a 1,4,7,10,13,16‐hexaoxacyclooctadecane (18‐crown‐6) complex as counterion, [K(18‐crown‐6)]2Bi2 (1). By means of mass spectrometry, we show that compound 1 behaves, generally, alike [K(crypt‐222)]2Bi2 in reactions with [CpRu(NCMe)3]+, forming the previously reported cluster anion [{CpRu}3Bi6]−. However, crystallization of this cluster can only be achieved in the presence of [PF6]− anions, yielding [{K(18‐crown‐6)}2{PF6}][{CpRu}3Bi6] ⋅ en (2). This shows that [K(18‐crown‐6)]+, if paired up with an additive like [PF6]−, indeed is a (cheaper) alternative for the crystallization of anionic bismuth‐based clusters.
Space for Rights. The School Between Planning Standard and Social Innovation
Authors: Ciaffi Daniela , Giaimo Carolina , Saporito Emanuela , Vitulano Valeria 
Published: July 2023

AbstractThe paper straddles the boundary between urbanism and sociology, working on the common ground of rights: public services and facilities (‘planning standard,’ according to the Italian spatial planning legislation) on the one hand and the care of the commons on the other, in addition to attempting to grapple with a third dimension of rights that places space and society alongside law. This methodological hypothesis is practiced from the critical analysis of one of the basic public facilities: the school. In the national debate on public services and common goods, school spaces are one of the recurring examples of how they have functionality as public educational services during school time and how they can also have other functional profiles as common goods, i.e., as civic centers open to the urban community during out-of-school hours. The theme of the hybridization of spaces and functions emerges with ever-increasing theoretical and empirical force in the reflections on so-called social innovation. Even if, in several cases, many people ignored one of the most beautiful definitions of planning standards by Giovanni Astengo (1966). He stated that, besides being a minimum, standards represent a minimum of civilization. The paper intends to bring attention to the complex value of spatial and social resources related to schools.
Source and Data for the Analysis of the Metropolitan Territory with GIS Tools: A Critical Review Between Commercial and Open Access Tools
Authors: Fiermonte Francesco , La Riccia Luigi , Scalas Mattia 
Published: July 2023

AbstractThis contribution addresses the issue of the availability and accessibility of data for urban and regional studies. After an initial part in which tools and arguments are provided to frame the open data paradigm, the second part proceeds with the simulation of a GIS-based study on a territory of the Metropolitan City of Turin aimed at supporting post-COVID territorial planning, highlighting the areas in which there is a lack of data, the difficulty of access, such as in health care, or the obligation to have to use commercial data. In the last part, the results of the study are discussed, and the issue of the importance of the construction of digital models (digital twins) capable of receiving and processing data of different sources, and how these models should be developed according to an open and non-commercial paradigm.