bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Sonogashira Coupling on Palladium Milling Balls—A new Reaction Pathway in Mechanochemistry
Authors: Pickhardt Wilm , Siegfried Eleonora , Fabig Sven , Rappen Marisol Fabienne , Etter Martin , Wohlgemuth Maximilian , Grätz Sven , Borchardt Lars 
Published: April 2023

AbstractUtilizing direct mechanocatalytical conditions, the Sonogashira coupling was successfully performed on the surface of milling tools by using pure Pd and Pd coated steel balls. The optimization of co‐catalyst forming additives led to a protocol, which generates quantitative yields under aerobic conditions for various substrates within as little as 90 minutes. Using state‐of‐the‐art spectroscopic, diffractive, as well as in situ methods lead to the identification of a previously unknown and highly reactive complex of the co‐catalyst copper. This new complex differs substantially from the known complexes in liquid phase Sonogashira couplings, proving that reaction pathways in mechanochemistry may differ from those in established synthetic procedures.
Rapid Phase Transitions of Thermotropic Glycolipid Quasicrystal and Frank‐Kasper Mesophases: A Mechanistic Rosetta Stone
Authors: Wentz Charlotte M. , Lachmayr Kätchen K. , Tsai Esther H. R. , Sita Lawrence R. 
Published: April 2023

AbstractExperimental results are presented that serve to lower the barrier for developing the science and technology of non‐classical thermotropic glycolipid mesophases, which now include dodecagonal quasicrystal (DDQC) and Frank–Kasper (FK) A15 and σ mesophases that can be produced under mild conditions from a versatile class of sugar‐polyolefin conjugates. By employing “alloys” comprised of mono‐ and disaccharide‐polyolefin conjugates, and optionally with vitamin E as a small molecule phase modulator, we report the spontaneous formation of stable A15 mesophases at ambient temperature. We further document a rich thermotropic phase map that includes DDQC, A15, and σ mesophases of tunable periodicity that are connected through rapid thermotropic phase transitions as a function of increasing temperature in the order: liquid‐like packing (LLP)→DDQC → A15→σ→ disorder. This first direct observation of a rapid thermotropic A15→σ phase transition provides support for a diffusionless martensitic process proceeding through strain‐induced introduction of planar defects into the A15 lattice.
Anatomical correlates and nomenclature of the chiropteran endocranial cast
Authors: Maugoust Jacob , Orliac Maeva Judith 
Published: April 2023

AbstractBats form a diverse group of mammals that are highly specialized in active flight and ultrasound echolocation. These specializations rely on adaptations that reflect on their morphoanatomy and have been tentatively linked to brain morphology and volumetry. Despite their small size and fragility, bat crania and natural braincase casts (“endocasts”) have been preserved in the fossil record, which allows for investigating brain evolution and inferring paleobiology. Advances in imaging techniques have allowed virtual extraction of internal structures, assuming that the shape of the endocast reflects soft organ morphology. However, there is no direct correspondence between the endocast and internal structures because meninges and vascular tissues mark the inner braincase together with the brain they surround, resulting in a mosaic morphology of the endocast. The hypothesis suggesting that the endocast reflects the brain in terms of both external shape and volume has drastic implications when addressing brain evolution, but it has been rarely discussed. To date, only a single study addressed the correspondence between the brain and braincase in bats. Taking advantage of the advent of imaging techniques, we reviewed the anatomical, neuroanatomical, and angiological literature and compare this knowledge available on bat's braincase anatomy with anatomical observations using a sample of endocranial casts representing most modern bat families. Such comparison allows to propose a Chiroptera‐scale nomenclature for future descriptions and comparisons among bat endocasts. Describing the imprints of the tissues surrounding the brain also allows to address to what extent brain features can be blurred or hidden (e.g., hypophysis, epiphysis, colliculi, flocculus). Furthermore, this approach encourages further study to formally test the proposed hypotheses.
Design, synthesis, α‐glucosidase inhibition, pharmacokinetic, and cytotoxic studies of new indole‐carbohydrazide‐phenoxy‐N‐phenylacetamide derivatives
Authors: Hamedifar Haleh , Mohammadi‐Khanaposhtani Maryam , Sherafati Maedeh , Noori Milad , Moazam Ali , Hosseini Samanesadat , Larijani Bagher , Hajimiri Mir H. , Mahdavi Mohammad , Erdogan Mehmet K. , Gundogdu Ramazan , Kirici Mahinur , Taslimi Parham , Gülçin İlhami 
Published: April 2023

AbstractA new series of indole‐carbohydrazide‐phenoxy‐N‐phenylacetamide derivatives7a–lwere designed, synthesized, and screened for their α‐glucosidase inhibitory abilities and cytotoxic effects. The results obtained in the α‐glucosidase inhibition assay indicated that most of the synthesized derivatives displayed good to moderate inhibitory abilities (Kivalues ranging from 14.65 ± 2.54 to 37.466 ± 6.46 μM) when compared with the standard drug acarbose (Ki = 42.38 ± 5.73 μM). Among them, 2‐mehoxy‐phenoxy derivatives7land7hwith 4‐nitro and 4‐chloro substituents on the phenyl ring of theN‐phenylacetamide moiety, respectively, displayed the most inhibition effects. The inhibitory mechanism of these compounds was investigated by molecular docking studies. The in vitro cytotoxicity assay showed that only one compound, 2‐methoxy‐phenoxy derivative7kwith a 4‐bromo substituent on the phenyl ring of theN‐phenylacetamide moiety, exhibited moderate cytotoxicity against the human non‐small‐cell lung cancer cell line A549 and the rest of the compounds show almost no cytotoxicity. Further cytotoxic evaluations were also performed on compound7k. The in silico pharmacokinetic study predicted that the selected compounds7land7hare likely to be orally active.
Co Nanoparticles Embedded in Mesoporous Walls of Carbon Nanoboxes for Rechargeable Zinc‐air Batteries
Authors: Song Lianghao , Zhang Jing , Huang Chengyu , Zhao Chenfei , Yin Xuemin , Long Hongli , Liu Yang , Zhao Yufeng 
Published: April 2023

AbstractDesign of non‐noble metal electrocatalysts with high catalytic activity and stability to replace commercial Pt/C is crucial in the commercialization development of Zn‐air batteries (ZABs). In this work, Co catalyst nanoparticles coupled with nitrogen‐doped hollow carbon nanoboxes were well designed through zeolite‐imidazole framework (ZIF‐67) carbonization. As a result, the 3D hollow nanoboxes reduced the charge transport resistance, and the Co nanoparticles loaded on nitrogen‐doped carbon supports exhibited excellent electrocatalytic performance for oxygen reduction reaction (ORR, E1/2=0.823 V vs. RHE), similar to that of commercial Pt/C. Moreover, the designed catalysts showed an excellent peak density of 142 mW cm−2 when applied on ZABs. This work provides a promising strategy for the rational design of non‐noble electrocatalysts with high performance for ZABs and fuel cells.
Base‐catalyzed [3 + 2]/[4 + 2]‐annulations of cyclic N‐sulfimines with γ‐ and δ‐sulfonamido/hydroxy‐α,β‐unsaturated carbonyls: Stereoselective synthesis of imidazolidines, oxazolidines, hexahydropyrimidines, and 1,3‐oxazinanes
Authors: Kim Yoseop , Kim Seung Yeon , Kim Sung‐Gon 
Published: April 2023

AbstractA highly efficient and straightforward synthetic methodology has been established for the preparation of imidazolidine derivatives through the [3 + 2]‐annulation of cyclic N‐sulfimines. This reaction involves the reaction of cyclic N‐sulfimines and γ‐sulfonamido‐α,β‐unsaturated carbonyl compounds, with Cs2CO3 serving as the catalyst. The outcome is a diverse range of imidazolidine derivatives with remarkable yields and stereoselectivities. In addition, the [4 + 2]‐annulation between cyclic N‐sulfimines and δ‐sulfonamido‐α,β‐unsaturated carbonyl compounds, catalyzed by Et3N, has been successfully applied for the synthesis of stereoselective hexahydropyrimidines. Furthermore, the base‐catalyzed annulation of cyclic N‐sulfimines with γ‐ and δ‐hydroxy‐α,β‐unsaturated carbonyl compounds has proven to be a reliable method for the synthesis of oxazolines and 1,3‐oxazinanes.
50‐kHz ultrasonic vocalizations do not signal social anhedonia in transgenic DISC1 rats
Authors: Seidisarouei Mohammad , Schäble Sandra , van Wingerden Marijn , Trossbach Svenja V. , Korth Carsten , Kalenscher Tobias 
Published: April 2023

AbstractPatients diagnosed with neuropsychiatric disorders, such as autism and schizophrenia, suffer from disorganized speech. The disrupted‐in‐schizophrenia 1 (DISC1) protein pathway is considered a risk factor for the development of several psychiatric disorders and plays an important role in the dysregulation of dopamine (DA), which in turn plays an important role in the regulation of ultrasonic vocalizations (USVs) in rats. Moreover, the DISC1 protein pathway has been identified as a cause of social anhedonia, that is, a decrease in the drive for social interactions. USVs transmit specific affective information to other rats, with 50‐kHz calls indicating a positive affective state in rats. Dysregulation of the dopaminergic system impacts the qualitative and quantitative features of USVs, such as duration, peak frequency, and the call rate. In this study, we thus used a well‐established transgenic DISC1 (tgDISC1) rat line to investigate whether the neural (decreased DA levels in the dorsal striatum, amygdala, and hippocampus (HPC)) and behavioral (social anhedonia) features of tgDISC1 rats could be manifested through the modulation of their 50‐kHz USVs. Analyses of three features (call rate, duration, and peak frequency) of all 50‐kHz revealed no significant differences between groups, suggesting decreased DA levels in the dorsal striatum and amygdala, and HPC may affect social interaction but leave 50‐kHz USV production intact.
Acceptance and commitment therapy (ACT) for people with dementia experiencing psychological distress: A hermeneutic single‐case efficacy design (HSCED) series
Authors: Robinson Amie , De Boos Danielle , Moghaddam Nima 
Published: April 2023

AbstractIntroductionPeople with dementia have a high prevalence of psychological distress but are underserved with evidence‐based psychological interventions. To promote choice and improve clinical outcomes, there is a necessity to test different psychological intervention options for this population.PurposeThis study aimed to investigate the effectiveness and acceptability of acceptance and commitment therapy (ACT) for people with dementia, considering carer‐supported, remote delivery and necessary therapy adaptations.MethodsA hermeneutic single‐case efficacy design series was used to analyse the therapy process and change for three clients with dementia and psychological distress. A matrix of quantitative and qualitative data was collated (“rich case records”) and subject to critical analyses by three independent psychotherapy experts (“judges”) who identified change processes and determined the outcome for each client.ResultsAdjudication concluded that one client made positive changes, specifically reliable reductions in psychological distress, which were largely attributable to ACT. Two clients remained unchanged.Discussion/ConclusionWhere change was achieved, the ACT‐specific processes of values, committed action and acceptance, in combination with non‐specific therapy factors, including a strong client–carer relationship, existing client interests and individualised therapy adaptations, were facilitative. Hence, ACT may be a feasible and effective vehicle for therapeutic change by helping carers to better meet the needs of their loved ones. Future research to optimise ACT delivery in this population may be beneficial. Furthermore, the assessment of carer factors (e.g., their psychological flexibility and the client–carer relationship) may strengthen the evidence base for systemic ACT use.
1,2,3‐Triazole Derivatives as an Emerging Scaffold for Antifungal Drug Development against Candida albicans: A Comprehensive Review
Authors: Singh Atamjit , Singh Karanvir , Sharma Aman , Joshi Kaustubh , Singh Brahmjeet , Sharma Sambhav , Batra Kevin , Kaur Kirandeep , Singh Dilpreet , Chadha Renu , Mohinder Singh Bedi Preet 
Published: April 2023

AbstractCandida infections are most prominent among fungal infections majorly target immunocompromised and hospitalized patients and cause significant morbidity and mortality. Candida albicans is the notorious and most prevalent among all pathogenic Candida strains. Its emerging resistance toward available antifungal agents making it hard to tackle and emerging as global healthcare emergency. Simultaneously, 1,2,3‐triazole nucleus is a privileged scaffold that is gaining importance in antifungal drug development due to being a prominent bioactive linker and isostere of triazole based antifungal class core 1,2,4‐triazole. Numerous reports have been updated in scientific literature in last few decades related to utilization of 1,2,3‐triazole nucleus in antifungal drug development against Candida albicans. Present review will shed light on various preclinical studies focused on development of 1,2,3‐triazole derivatives targeting Candida albicans along with brief highlight on clinical trials and newly approved drugs. Structure‐activity relationship has been precisely discussed for each architect along with future perspective that will help medicinal chemists in design and development of potent antifungal agents for tackling infections derived from Candida albicans.
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]‐Hydrogenases Biomimetics: Effect of the Dithiolate Bulk
Authors: Arrigoni Federica , De Gioia Luca , Elleouet Catherine , Pétillon François Y. , Schollhammer Philippe , Talarmin Jean , Zampella Giuseppe 
Published: April 2023

AbstractThree hexacarbonyl diiron dithiolate complexes [Fe2(CO)6(μ‐(SCH2)2X)] with different substituted bridgeheads (X=CH2, CEt2, CBn2 (Bn=CH2C6H5)), have been studied under the same experimental conditions by cyclic voltammetry in dichloromethane [NBu4][PF6] 0.2 M. DFT calculations were performed to rationalize the mechanism of reduction of these compounds. The three complexes undergo a two‐electron transfer whose the mechanism depends on the bulkiness of the dithiolate bridge, which involves a different timing of the structural changes (Fe−S bond cleavage, inversion of conformation and CO bridging) vs redox steps. The introduction of a bulky group in the dithiolate linker has obviously an effect on normally ordered (as for propanedithiolate (pdt)) or inverted (pdtEt2, pdtBn2) reduction potentials. Et→Bn replacement is not theoretically predicted to alter the geometry and energy of the most stable mono‐reduced and bi‐reduced forms but such a replacement alters the kinetics of the electron transfer vs the structural changes.
Antimicrobial Conjugated Oligoelectrolytes Containing Triphenylphosphonium Solubilizing Groups
Authors: Chan Samuel J. W. , Zhang Kaixi , Zhu Ji‐Yu , Bazan Guillermo C. 
Published: April 2023

AbstractInvited for the cover of this issue is the group of Guillermo C. Bazan, Kaixi Zhang and co‐workers at the National University of Singapore The image depicts the activity of lead compound DM6P acting on a model bacteria membrane. Read the full text of the article at 10.1002/chem.202203803.
Methacrylic acid‐based amphiphilic block‐random copolymer stabilizers for emulsion polymerization
Authors: Ezenwajiaku Ikenna H. , Sanders Connor A. , George Sean R. , Cunningham Michael F. 
Published: April 2023

AbstractThe emulsion polymerization of styrene was investigated using polystyrene‐b‐[polystyrene‐r‐poly(methacrylic acid)] amphiphilic block‐random copolymers (BRCs) of different compositions as stabilizers. These stabilizers with molar masses <20,000 g/mol, which possess unique dispersion behaviour (i.e., self‐assembly with low aggregation numbers) when dissolved in aqueous medium at alkaline pH, were prepared by the nitroxide‐mediated bulk polymerization of styrene to achieve a desired molar mass followed by chain extension by batchwise addition of styrene and methacrylic acid monomers to obtain the stabilizing group. Emulsion polymerizations of styrene stabilized by these BRCs yielded stable latexes with particle diameters that range between 30 and 150 nm. When different concentrations of the stabilizer (2–3.5 mM) were utilized for emulsion polymerization of styrene, a similar novel emulsion polymerization mechanism observed previously by our group for the acrylic‐acid based amphiphilic BRCs was also seen, further validating the difference between this class of polymeric surfactants and conventional small molecule surfactants, block copolymers, or alkali soluble resins. The performance of methacrylic‐acid based BRCs was more efficient and yielded higher surface coverage of the polystyrene latexes when compared to the acrylic‐acid based BRCs as a result of the more hydrophobic nature of the former.
Adapting perennial grain and oilseed crops for climate resiliency
Authors: Jungers Jacob , Runck Bryan , Ewing Patrick M. , Maaz Tai , Carlson Craig , Neyhart Jeffrey , Fumia Nathan , Bajgain Prabin , Subedi Samikshya , Sharma Vasudha , Senay Senait , Hunter Mitch , Cureton Colin , Gutknecht Jessica , Kantar Michael B. 
Published: April 2023

AbstractClimate change is threatening the status quo of agricultural production globally. Perennial cropping systems could be a useful strategy to adapt agriculture to a changing climate. Current and future perennial row crop systems have many and varied applications and these systems can respond differently than annuals to agricultural challenges resulting from climate change, such as shifting ranges of plant, pathogen, and animal species and more erratic weather patterns. To capitalize on attributes of perennial systems that assist in our ability to adapt to a changing world, it is important we fully consider the component parts of agroecosystems and their interactions, including species, genotype and genotypic variance, environment and environmental variance, adaptive management strategies, and farm socioeconomics. We review the current state of perennial grain and oilseed crops for integration into row crop agriculture and summarize the potential for current and future systems to support multiple environmental benefits and adaptation to climate change. We then propose a plant breeding strategy that incorporates the complexity of common domestication traits as they relate to future perennial crop improvement and adaptation and highlight digital technologies that can advance these goals. Evaluation of genetic gain during the development of new perennial crops and systems can be improved using research designs that span an environmental gradient that captures the forecasted shift in climate for a region, which we demonstrate by reanalyzing existing data. Successful development and deployment of perennial crops as a climate adaptation strategy depends on grower adoption, scalability, and sustainable modifications to markets and supply chains.
High‐gain nine‐level switched‐capacitor multilevel inverter featuring less number of devices and leakage current
Authors: Debela Awas Tamiru , Singh Jiwanjot 
Published: April 2023

AbstractIn this article, a novel switched‐capacitor multilevel inverter (SC‐MLI) for on‐grid and off‐grid applications with PV is presented. The nine‐level proposed SC‐MLI with simple architecture is produced gain of four times across the load voltage. Further, the proposed inverter needs only 10 power switches, a single dc source, three diodes, and three capacitors. For a suitable switching operation, phase disposition pulse width modulation (PD‐PWM) was developed. Furthermore, the capacitor inrush current, which is a major shortcoming of SC‐MLI, is mitigated in the proposed topology by employing a charging inductor. Furthermore, the proposed inverter is used as a single‐stage PV grid‐tied inverter. When inverter is used for PV applications, the proposed inverter provides minimum value of leakage current. In addition, to demonstrate the superior performance of the proposed switched capacitor MLI, a comparative analysis with an existing off‐grid and existing on‐grid SC‐MLIs is performed. A fully circuit has been simulated using Matlab/Simulink to test the effectiveness and feasibility of the proposed topology. The prototype of the hardware system is designed of a nine‐level proposed topology using the dSpace 1103 controller board to validate the results.
Design and synthesis of novel hexahydrobenzo[4,5]thieno[2,3‐d]pyrimidine derivatives as potential anticancer agents with antiangiogenic activity via VEGFR‐2 inhibition, and down‐regulation of PI3K/AKT/mTOR signaling pathway
Authors: Seif Safaa E. , Mahmoud Zeinab , Wardakhan Wagnat W. , Abdou Amr M. , Hassan Rasha A. 
Published: April 2023

AbstractNew thieno[2,3‐d]pyrimidine derivatives were designed and synthesized. The National Cancer Institute (NCI) evaluated the synthesized novel compounds against a panel of 60 tumor cell lines for their antiproliferative activity. Compounds 6b, 6f, and 6g showed potent anticancer activity at 10 µM dose, with mean GI of 20.86%, 76.41%, and 31.49%, respectively. Compound 6f was selected for five‐dose concentrations evaluation. Compound 6f scored a submicromolar range of GI50 values against 10 cancer cell lines, indicating broad‐spectrum and potent antiproliferative activity. Compound 6f TGI values were recorded in the cytostatic range of 4.02–95.1 µM. In comparison to sorafenib, the tested compounds 6b, 6f, and 6g inhibited VEGFR‐2 with IC50 values of 0.290 ± 0.032, 0.066 ± 0.004, and 0.16 ± 0.006 µM, correspondingly. Compound 6f significantly reduced the total VEGFR‐2 expression and its phosphorylation. Additionally, 6f reduced the phosphorylation of PI3K, Akt, and mTOR pathway proteins. Moreover, the migratory potential of HUVECs was significantly reduced, after 72 h of treatment with compound 6f, resulting in disrupted wound healing patterns which verified the angiogenesis suppression properties of compound 6f. Compound 6f increased the total apoptosis percentage by 21.27‐fold compared to sorafenib, which caused a 24.11‐fold increase in the total apoptosis percentage. This apoptotic activity was accompanied by a 7.81‐fold increase in the level of apoptotic caspase‐3. Furthermore, the cell cycle analysis revealed that the target derivative 6f reduced cellular proliferation and induced an arrest in HCT‐15 colon cancer cell cycle at the S phase. Molecular modeling was used to determine the binding profile and affinity of derivative 6f toward the VEGFR‐2 active site.