bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mannich‐Type Condensation and Domino Quinazolinone‐Amidine Rearrangement Affords Ring‐Fused Mackinazolinones with Anti‐Amoebic Activity
Authors: Lish Matthew S. , Milanes Jillian E. , Sanders Kyana M. , Guzei Ilia A. , Morris James C. , Golden Jennifer E. 
Published: November 2023

AbstractA three‐step synthesis of anti‐amoebic, ring‐fused mackinazolinones has been developed. A Mannich‐type reaction between quinazolin‐4‐ones and N‐Cbz propanal in the presence of AgOTf afforded quinazolinones (19–94% isolated yield) bearing a newly formed heterocycle with an alkylamine appendage that, upon N‐Cbz deprotection and basification, triggered a domino rearrangement to afford 45 separable, ring‐fused products. Several compounds inhibited growth of Naegleria fowleri parasites that can cause a lethal human brain infection. Thus, the methodology provides immediate access to a promising anti‐amoebic scaffold.
Identification of HLA‐restricted Cytotoxic T Lymphocyte Epitopes of B Cell Maturation Antigen as Promising Peptide Vaccine Candidates for Preventive and Therapeutic Strategies in Multiple Myeloma
Authors: Chiraphapphaiboon Wannasiri , Luangwattananun Piriya , Chieochansin Thaweesak , Samutpradit Danai , Hengswat Pranaidej , Areesawangkit Phurin , Phikulsod Ployploen , Sumransub Nuttavut , Sukpanichnant Sunya , Junking Mutita , Yenchitsomanus Pa‐thai 
Published: November 2023

AbstractMultiple myeloma (MM) is an incurable hematologic malignancy for which curative treatment remains elusive. Consequently, immunotherapeutic strategies that selectively induce MM‐specific T cell responses by targeting MM‐associated antigens have emerged. This study aims to identify HLA‐restricted cytotoxic T lymphocyte (CTL) epitopes derived from B cell maturation antigen (BCMA) as potential peptide vaccine candidates to advance preventive and therapeutic interventions for MM. BCMA expression in bone marrow tissue samples from 96.8% of MM patients is observed, and the positive membrane BCMA expression is associated with inferior overall survival outcomes. Through an in silico model, four BCMA epitope peptides that exhibit in vitro concentration‐dependent binding to the HLA*A11:01 molecule are identified. Comparative analyses reveal that BCMA‐specific CTLs stimulated by BCMA‐2, BCMA‐3, and BCMA‐4 peptides exhibit significantly greater cytolysis of cancer cells, including BCMA‐overexpressing KMS‐20 and KKU‐055 cells, in comparison to an unpulsed condition or an irrelevant control peptide derived from human immunodeficiency virus‐1 (HIV‐1). Moreover, the observed cytolytic activities of these CTLs are significantly distinct when compared to corresponding BCMA‐negative cells, thereby indicating antigen‐specificity. This study highlights the promising potential of utilizing immunogenic HLA‐A*11:01‐restricted BCMA peptides as a viable approach for cancer vaccination and T cell‐based therapy in the context of MM.
Natural Multifunctional Silk Microcarriers for Noise‐Induced Hearing Loss Therapy
Authors: Zhang Hui , Chen Hong , Lu Ling , Wang Huan , Zhao Yuanjin , Chai Renjie 
Published: November 2023

AbstractNoise‐induced hearing loss (NIHL) is a common outcome of excessive reactive oxygen species in the cochlea, and the targeted delivery of antioxidants to the inner ear is a potential therapeutic strategy. In this paper, a novel natural biomaterials‐derived multifunctional delivery system using silk fibroin‐polydopamine (PDA)‐composited inverse opal microcarriers (PDA@SFMCs) is presented for inner ear drug delivery and NIHL therapy. Due to their large specific surface area and interpenetrating nanochannels, PDA@SFMCs can rapidly load active biomolecules making them a convenient medium for the storage and delivery of such molecules. In addition, surface modification of PDA enables the microcarriers to remain in the round window niche, thus facilitating the precise local and directed delivery of loaded drugs. Based on these features, it is demonstrated here that n‐acetylcysteine‐loaded silk microcarriers have satisfactory antioxidant properties on cells and can successfully prevent NIHL in guinea pigs. These results indicate that the natural multifunctional silk microcarriers are promising agents for local inner ear drug delivery in the clinic.
Assembling of Polyaryls (Terphenyls, Tetraphenyls, Pentaphenyls, and Hexaphenyls) through Pd(II)‐catalyzed C−H Arylation of Biaryl Carboxamides with Iodobiaryls
Authors: Dalal Arup , Babu Srinivasarao Arulananda , Banga Shefali 
Published: November 2023

AbstractA wide range of polyaryl compounds (π‐extended biaryls) including terphenyls, tetraphenyls, pentaphenyls, and hexaphenyls were assembled in a single operation of Pd(II)‐catalyzed C−H coupling of biaryl carboxamides and iodobiaryls. Traditionally, cross‐coupling protocols involving organometallic reagents were employed to assemble the core structure of π‐extended biaryls (polyphenylenes or polyaryls). The pre‐assembling of organometallic reagents is a limitation in investigations pertaining to the aryl‐aryl cross‐coupling reactions affording polyaryls (polyphenylenes). We report the application of Pd(II)‐catalyzed bidentate directing group (DG)‐aided C−H arylation method for constructing polyaryl motifs (π‐extended biaryls) using biaryl‐based carboxamides and iodobiaryls as the coupling partners in a single operation. The current investigation on the bidentate DG‐aided C−H arylation of biaryl carboxamides with iodobiaryls is expected to serve as a useful route to enrich the library of π‐extended biaryls (polyphenylenes or polyaryls).
Access to [6‐7‐6]‐Icetexanes through Sequential Cascade Cyclization and Biomimetic Ring Expansion
Authors: Le Thuy Quynh , Liaba Niaz , Jeong Da In , Lee Jeonghyo , Oh Chang Ho 
Published: November 2023

AbstractWe herein report an efficient synthetic method for preparing [6‐7‐6]‐icetexane derivatives. This approach employs our previously designed copper‐catalyzed intramolecular cyclization of enyne‐aryl carbonyl substrates to generate a [6‐6‐6]‐tricyclic abietane framework and a subsequent ring expansion protocol for the [6‐7‐6] scaffold. By synergizing these protocols, we established a highly efficient pathway for synthesizing icetexane compounds from readily available enyne‐aryl starting materials, exhibiting remarkable versatility in accommodating various functional groups while delivering consistently high yields.
Camera traps unveil demography, social structure, and home range of six unhabituated Western chimpanzee groups in the Moyen Bafing National Park, Guinea
Authors: Debetencourt Benjamin , Barry Mamadou Moussa , Arandjelovic Mimi , Stephens Colleen , Maldonado Nuria , Boesch Christophe 
Published: November 2023

AbstractPrecise estimates of population dynamics and social grouping patterns are required for effective conservation of wild animal populations. It is difficult to obtain such information on non‐human great apes as they have slow reproductive rates. To gain a better understanding of demography in these populations, previous research has typically involved habituation\, a process that requires years. Here, we collected data continuously over year‐long periods to monitor an unhabituated population of critically endangered Western chimpanzees (Pan troglodytes verus) in the Moyen Bafing National Park, Guinea. We used two arrays of 100 camera traps that were placed opportunistically in two distinct 100 km2 sites, named Bakoun and Koukoutamba. We identified 227 individuals in Bakoun and 207 in Koukoutamba through their unique facial features. Our camera trap data make clear that these individuals belong to six and seven closed groups, respectively. Six of those groups were near‐completely sampled with an average minimum size of 46.8 individuals (range: 37–58), and a mean adult sex ratio of 1.32 (range: 0.93–2.10). We described the demographic composition of these groups and use Bayesian social network analysis to understand population structure. The network analyses suggested that the social bonds within the two populations were structured by sex homophily, with male chimpanzees being more or equally likely to be observed together than other adult associations. Through estimation of minimum convex polygons, we described the minimum home range for those groups. Compared to other chimpanzee groups living in a similar environment (mosaic savanna‐forest), the Moyen Bafing region seems to host a high‐density of chimpanzees with small home ranges for their group size. Our research highlights the potential of camera traps for studying the demographic composition of chimpanzee populations with high resolution and obtaining crucial information on several groups in a time‐efficient and cost‐effective way.
Cations Determine the Mechanism and Selectivity of Alkaline Oxygen Reduction Reaction on Pt(111)**
Authors: Kumeda Tomoaki , Laverdure Laura , Honkala Karoliina , Melander Marko M. , Sakaushi Ken 
Published: November 2023

AbstractThe proton‐coupled electron transfer (PCET) mechanism of the oxygen reduction reaction (ORR) is a long‐standing enigma in electrocatalysis. Despite decades of research, the factors determining the microscopic mechanism of ORR‐PCET as a function of pH, electrolyte, and electrode potential remain unresolved, even on the prototypical Pt(111) surface. Herein, we integrate advanced experiments, simulations, and theory to uncover the mechanism of the cation effects on alkaline ORR on well‐defined Pt(111). We unveil a dual‐cation effect where cations simultaneously determine i) the active electrode surface by controlling the formation of Pt−O and Pt−OH overlayers and ii) the competition between inner‐ and outer‐sphere PCET steps. The cation‐dependent transition from Pt−O to Pt−OH determines the ORR mechanism, activity, and selectivity. These findings provide direct evidence that the electrolyte affects the ORR mechanism and performance, with important consequences for the practical design of electrochemical systems and computational catalyst screening studies. Our work highlights the importance of complementary insight from experiments and simulations to understand how different components of the electrochemical interface contribute to electrocatalytic processes.
Ultrapermeable Gel Membranes Enabling Superior Carbon Capture
Authors: Zhu Bin , Yang Yan , Guo Lei , Wang Kaifang , Lu Yanqiu , He Xuezhong , Zhang Sui , Shao Lu 
Published: November 2023

AbstractMembrane technology is rapidly gaining broad attraction as a viable alternative for carbon capture to mitigate increasingly severe global warming. Emerging CO2‐philic membranes have become crucial players in efficiently separating CO2 from light gases, leveraging their exceptional solubility‐selectivity characteristics. However, economic and widespread deployment is greatly dependent on the boosted performance of advanced membrane materials for carbon capture. Here, we design a unique gel membrane composed of CO2‐philic molecules for accelerating CO2 transportation over other gases for ultrapermeable carbon capture. The molecular design of such soft membranes amalgamates the advantageous traits of augmented permeation akin to liquid membranes and operational stability akin to solid membranes, effectively altering the membrane's free volume characteristics validated by both experiments and molecular dynamics simulation. Surprisingly, gas diffusion through the free‐volume‐tuned gel membrane undergoes a 9‐fold improvement without compromising the separation factor for the superior solubility selectivity of CO2‐philic materials, and CO2 permeability achieves a groundbreaking record of 5608 Barrer surpassing the capabilities of nonfacilitated CO2 separation materials and exceeding the upper bound line established in 2019 even by leading‐edge porous polymer materials. Our designed gel membrane can maintain exceptional separation performance during prolonged operation, enabling the unparalleled potential of solubility‐selective next‐generation materials towards sustainable carbon capture.
Perovskite Oxide as A New Platform for Efficient Electrocatalytic Nitrogen Oxidation
Authors: Zheng Hui , Ma Ziwei , Liu Yunxia , Zhang Yizhe , Ye Jinyu , Debroye Elke , Zhang Longsheng , Liu Tianxi , Xie Yi 
Published: November 2023

AbstractElectrocatalytic nitrogen oxidation reaction (NOR) offers an efficient and sustainable approach for conversion of widespread nitrogen (N2) into high‐value‐added nitrate (NO3−) under mild conditions, representing a promising alternative to the traditional approach that involves harsh Haber–Bosch and Ostwald oxidation processes. Unfortunately, due to the weak absorption/activation of N2 and the competitive oxygen evolution reaction, the kinetics of NOR process is extremely sluggish accompanied with low Faradaic efficiencies and NO3− yield rates. In this work, an oxygen‐vacancy‐enriched perovskite oxide with nonstoichiometric ratio of strontium and ruthenium (denoted as Sr0.9RuO3) was synthesized and explored as NOR electrocatalyst, which can exhibit a high Faradaic efficiency (38.6 %) with a high NO3− yield rate (17.9 μmol mg−1 h−1). The experimental results show that the amount of oxygen vacancies in Sr0.9RuO3 is greatly higher than that of SrRuO3, following the same trend as their NOR performance. Theoretical simulations unravel that the presence of oxygen vacancies in the Sr0.9RuO3 can render a decreased thermodynamic barrier toward the oxidation of *N2 to *N2OH at the rate‐determining step, leading to its enhanced NOR performance.
Exploring Superacid‐Promoted Skeletal Reorganization of Aliphatic Nitrogen‐Containing Compounds
Authors: Artault Maxime , Cantin Thomas , Longuet Mélissa , Vitse Kassandra , Mbengo Christ Daniel Matatu , Guégan Frédéric , Michelet Bastien , Martin‐Mingot Agnès , Thibaudeau Sébastien 
Published: November 2023

AbstractHere we report a method to reorganize the core structure of aliphatic unsaturated nitrogen‐containing substrates exploiting polyprotonation in superacid solutions. The superelectrophilic activation of N‐isopropyl systems allows for the selective formal Csp3−H activation/cyclization or homologation / functionalization of nitrogen‐containing substrates. This study also reveals that this skeletal reorganization can be controlled through protonation interplay. The mechanism of this process involves an original sequence of C−N bond cleavage, isopropyl cation generation and subsequent C−N bond and C−C bond formation. This was demonstrated through in situ NMR analysis and labelling experiments, also confirmed by DFT calculations.
Enabling Carbonized Polymer Dots with Color‐tunable Time‐dependent Room Temperature Phosphorescence through Confining Carboxyl Dimer Association
Authors: Kang Chunyuan , Tao Songyuan , Yang Fan , Zheng Chengyu , Qu Zexing , Yang Bai 
Published: November 2023

AbstractDeveloping a facile strategy to realize fine‐tuning of phosphorescence color in time‐dependent room temperature phosphorescence (RTP) materials is essential but both theoretically and practically rarely exploited. Through simultaneously confining carboxyl dimer association and isolated carboxyl into the particle via a simple hydrothermal treatment of polyacrylic acid, a dual‐peak emission of red phosphorescence (645 nm) and green phosphorescence (550 nm) was observed from carbonized polymer dots (CPDs). The ratio of the two luminescent species can be well regulated by hydrochloric acid inhibiting the dissociation of carboxyl to promote hydrogen bond. Due to comparable but different lifetimes, color‐tunable time‐dependent RTP with color changing from yellow to green or orange to green were obtained. Based on the crosslinking enhanced emission effect, the phosphorescence visible time was even extended to 7 s through introducing polyethylenimide. This study not only proposes a novel and facile method for developing CPDs with color‐tunable time‐dependent RTP, but also provides a bran‐new non‐conjugated red phosphorescence unit and its definite structure.
First Nations perspectives and approaches to engagement in infant‐family work: attending to cultural safety and service engagement
Authors: Elliott Alison , Slater Clarisse , Opie Jessica E. , McIntosh Jennifer E. 
Published: November 2023

AbstractFirst Nations child and family practitioners, Alison Elliott and Clarisse Slater, yarn here with Jenn McIntosh about the cultural fit and importance of including infants in family therapy. They bring years of experience from the ‘Workin’ With the Mob' clinical program at The Bouverie Centre to bear on building safe and respectful engagement with First Nations peoples and families. They share a First Nations view of the call of the infant and their ancestry and their power to join in bringing healing to parent and family systems. They discuss safe engagement in attempting to build safety in the present, especially for new parents who carry childhood wounds. The baby's capacity to help reframe these conversations into opportunity for new hope and healing becomes central to systemic safety, rather than something to be avoided.
Thermal and structural behavior of mango (Mangifera indica L) kernel fat from three Ivorian varieties
Authors: Kouassi Alfred Kouakou , Alabi Taofic , Purcaro Giorgia , Moret Erica , Blecker Christophe , Danthine Sabine 
Published: November 2023

AbstractMango (Mangifera indica L.) seeds is an interesting source of fat, rich in stearic (St) and oleic (O) acid with three major triacylglycerols (TAG): StOSt, StOO, and StLSt. The kernel fat content and quality depend however on the varieties and their origin. The objective of this study was to investigate the crystallization and polymorphic behavior of mango kernel fat extracted from three selected Ivorian varieties which differ in terms of TAG composition: Kent (KT), Djakoumankoun (DN) and Brooks (BR). The isothermal crystallization behavior was examined at 15 and 20°C by pulsed nuclear magnetic resonance, differential scanning calorimetry, x‐ray diffraction (XRD) and polarized light microscope. Under static conditions, DN crystallized faster, followed by BR, then KT. At 15°C, an unusual evolution was observed for both DN and BR, which can be explained by a melt‐mediated polymorphic transition from α into more stable forms. Using a differential scanning calorimetry (DSC) stop‐and‐return technique, different crystallization behaviors were also observed. Isothermal XRD experiments confirmed that the kinetics of the polymorphic transformation was different within the three samples, even if the three fats were β‐3L‐tending. At 15°C, KT transformed from liquid state to stable form without passing through α‐form, while DN and BR crystallized first into α‐from which transformed further to β′, then into stable β‐form. At 20°C, DN and BR crystallized directly from liquid to β′, which later transformed into β‐form while KT did not crystallize under the same conditions. The huge differences observed result from the differences in the TAG profiles, mainly in the StOO and StOSt content.
In vivo hepatoprotective and nephroprotective effects ofStenocarpus sinuatusleaf extract against ifosfamide‐induced toxicity in rats
Authors: Younis Mai M. , Ayoub Iriny M. , George Mina Y. , Mostafa Nada M. , Eldahshan Omayma A. 
Published: November 2023

AbstractIfosfamide (IFOS) is a broad‐spectrum chemotherapeutic agent that has been extensively used for breast cancer and other solid tumors. Unfortunately, its use is associated with toxicities of several organs.Stenocarpus sinuatusis an Australian tree belonging to the Proteaceae family. In the current study, the phytochemical constituents ofS. sinuatusmethanol leaf extract (SSLE) were assessed. In addition, the protective effect of SSLE against IFOS‐induced nephrotoxicity and hepatotoxicity was evaluated. Rats were randomly divided into six groups: control, IFOS (50 mg/kg), IFOS + SSLE (100 mg/kg), IFOS + SSLE (200 mg/kg), IFOS + SSLE (400 mg/kg), and SSLE (400 mg/kg). Hepatoprotective and nephroprotective potency of SSLE was assessed using different biochemical parameters. The phytochemical investigation resulted in the isolation of four flavonoid glycosides (kaempferol 3‐O‐β‐d‐glucopyranosyl‐(1→2)‐α‐l‐rhamnopyranoside, kaempferol 3‐O‐α‐rhamnopyranoside, isorhamnetin 3‐O‐β‐d‐glucopyranosyl‐(1→2)‐α‐l‐rhamnopyranoside, and quercetin 3‐O‐β‐d‐glucopyranosyl‐(1→2)‐α‐l‐rhamnopyranoside) and a coumarin (scopoletin). This is the first report on the isolated compounds from the genusStenocarpus. SSLE showed enhancement of kidney and liver functions and reduction of oxidative stress and inflammation. The histopathology of the investigated organs confirmed the protective effect of SSLE. In conclusion, SSLE is considered as a promising candidate that can be used in defense against the toxic effects of IFOS after further clinical trials.
How technological knowledge management capability compliments knowledge‐intensive human resource management practices to enhance team outcomes: A moderated mediation analysis
Authors: Shahzad Khuram , De Sisto Marco , Ul‐Durar Shajara , Liu Wei 
Published: November 2023

AbstractAlthough research establishes a link between knowledge‐intensive human resource (HR) practices (KIHRP) and knowledge‐intensive team (KIT) performance, knowledge is limited about the underlying mechanisms and boundary conditions that determine this relationship. This study integrates the ability–motivation–opportunity (AMO) framework and theory of team adaptation into an information processing perspective to present a cohesive model that explains the mediating role of team knowledge sharing and reflexivity processes, and moderation of organization's technological knowledge management (KM) capability to explain the effect of KIHRP on KIT performance. Data were collected in three waves and from three sources consisting of 380 knowledge workers from 123 teams in 74 organizations in Pakistan. The findings indicate that KIHRP relates positively to KIT performance directly as well as via team knowledge sharing and reflexivity processes where the organization's technological KM capability further strengthens this relationship.
Quantitative Analysis of 2D EXSY NMR Spectra of Strongly Coupled Spin Systems in Transmembrane Exchange
Authors: Shishmarev Dmitry , Fontenelle Clement Q. , Linclau Bruno , Kuprov Ilya , Kuchel Philip W. 
Published: November 2023

AbstractSolute translocation by membrane transport proteins is a vital biological process that can be tracked, on the sub‐second timescale, using nuclear magnetic resonance (NMR). Fluorinated substrate analogues facilitate such studies because of high sensitivity of 19F NMR and absence of background signals. Accurate extraction of translocation rate constants requires precise quantification of NMR signal intensities. This becomes complicated in the presence of J‐couplings, cross‐correlations, and nuclear Overhauser effects (NOE) that alter signal integrals through mechanisms unrelated to translocation. Geminal difluorinated motifs introduce strong and hard‐to‐quantify contributions from non‐exchange effects, the nuanced nature of which makes them hard to integrate into data analysis methodologies. With analytical expressions not being available, numerical least squares fitting of theoretical models to 2D spectra emerges as the preferred quantification approach. For large spin systems with simultaneous coherent evolution, cross‐relaxation, cross‐correlation, conformational exchange, and membrane translocation between compartments with different viscosities, the only available simulation framework is Spinach. In this study, we demonstrate GLUT‐1 dependent membrane transport of two model sugars featuring CF2 and CF2CF2 fluorination motifs, with precise determination of translocation rate constants enabled by numerical fitting of 2D EXSY spectra. For spin systems and kinetic networks of this complexity, this was not previously tractable.