bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spin‐Dependent Charge Transport in 1D Chiral Hybrid Lead‐Bromide Perovskite with High Stability
Authors: Lu Ying , Wang Qian , Chen Ruyi , Qiao Leilei , Zhou Foxin , Yang Xia , Wang Dong , Cao Hui , He Wanli , Pan Feng , Yang Zhou , Song Cheng 
Published: August 2021

AbstractSpin‐dependent charge transport, along with the potential electronic applications, is investigated in chiral 2D iodide hybrid organic/inorganic perovskites (HOIPs) via the chirality‐induced spin selectivity (CISS) effect, paving a new way in spintronics. Despite the high spin‐polarized current enhancement, the intrinsic oxidation tendency of iodide ions brings about severe problems in the stability and lifetime of electronic devices. Here, spin‐dependent charge transport properties in lead‐bromide perovskites hybrid with chiral R/S‐methylbenzylammonium (MBA), that is, (R/S‐MBA)PbBr3 are explored. Distinct from layered 2D iodide perovskites (R/S‐MBA)2PbI4 which experience obvious crystal degradation along time, (R/S‐MBA)PbBr3 maintain good crystallinity even in the oxidative, humid, and high‐temperature environment due to the lower Fermi level of bromide than iodide. Magnetic conductive atomic force microscopy displays a spin filtration efficiency as high as 90%, showing negligible decay after 1 month. This work expands the spin transport to chiral bromide perovskites with higher stability, and thus provides significant support for the practical application of HOIPs in spintronics.
Controlling Interfacial Reduction Kinetics and Suppressing Electrochemical Oscillations in Li4Ti5O12 Thin‐Film Anodes
Authors: Chen Yue , Pan Handian , Lin Chun , Li Jiaxin , Cai Rongsheng , Haigh Sarah J. , Zhao Guiying , Zhang Jianmin , Lin Yingbin , Kolosov Oleg V. , Huang Zhigao 
Published: August 2021

AbstractUnderstanding the fundamentals of surface decoration effects in phase‐separation materials, such as lithium titanate (LTO), is important for optimizing the lithium‐ion battery (LIB) performance. LTO polycrystalline thin‐film electrodes with and without doped Al–ZnO (AZO) surface coating decoration are used as ideal models to gain insights into the mechanisms involved. Operando shear force modulation spectroscopy is used to observe for the first time the nanoscale dynamics of solid‐electrolyte‐interphase (SEI) formation on the electrode surfaces, confirming that the AZO coating is electrochemically converted into a stiff, homogenous SEI layer that protects the surface from the electrolyte‐induced decomposition. This AZO layer and its resultant artificial SEI‐layer have higher Li‐ion transport rates than the unmodified surface. These layers can reduce barriers to surface nucleation and facilitate rapid redistribution of lithium‐ions during the Li4Ti5O12 ⇄ Li7Ti5O12 phase separation, significantly inhabiting the orderly collective phase‐separation behavior (electrochemical oscillation) in the LTO electrode. The suppressed voltage oscillations indicate more homogeneous local exchange current density and de/intercalation states with the decorated electrodes, thereby extending their battery efficiency and long‐term cycling stability. This work highlights the ultimate importance of surface treatment for LIB materials for determining their interfacial chemistry and phase transition during the intercalation/deintercalation.
Metavalent Bonding in Crystalline Solids: How Does It Collapse?
Authors: Guarneri Ludovica , Jakobs Stefan , von Hoegen Alexander , Maier Stefan , Xu Ming , Zhu Min , Wahl Sophia , Teichrib Christian , Zhou Yiming , Cojocaru‐Mirédin Oana , Raghuwanshi Mohit , Schön Carl‐Friedrich , Drögeler Marc , Stampfer Christoph , Lobo Ricardo P. S. M. , Piarristeguy Andrea , Pradel Annie , Raty Jean‐Yves , Wuttig Matthias 
Published: August 2021

AbstractThe chemical bond is one of the most powerful, yet much debated concepts in chemistry, explaining property trends in solids. Recently, a novel type of chemical bonding was identified in several higher chalcogenides, characterized by a unique property portfolio, unconventional bond breaking, and sharing of about one electron between adjacent atoms. This metavalent bond is a fundamental type of bonding in solids, besides covalent, ionic, and metallic bonding, raising the pertinent question as to whether there is a well‐defined transition between metavalent and covalent bonds. Here, three different pseudo‐binary lines, namely, GeTe1−xSex, Sb2Te3(1−x)Se3x, and Bi2−2xSb2xSe3, are studied, and a sudden change in several properties, including optical absorption ε2(ω), optical dielectric constant ε∞, Born effective charge Z*, electrical conductivity, as well as bond breaking behavior for a critical Se or Sb concentration, is evidenced. These findings provide a blueprint to experimentally explore the influence of metavalent bonding on attractive properties of phase‐change materials and thermoelectrics. Particularly important is its impact on optical properties, which can be tailored by the amount of electrons shared between adjacent atoms. This correlation can be used to design optoelectronic materials and to explore systematic changes in chemical bonding with stoichiometry and atomic arrangement.
Integrative approaches to dispersing science: A case study of March Mammal Madness
Authors: Amorim Carlos Eduardo G. , Dasari Mauna , Durgavich Lara , Hinde Katie , Kissel Marc , Lewton Kristi L. , Loewen Tisa 
Published: August 2021

AbstractObjectivesPublic engagement is increasingly viewed as an important pillar of scientific scholarship. For early career and established scholars, navigating the mosaic landscape of public education and science communication, noted for rapid “ecological” succession, can be daunting. Moreover, academics are characterized by diverse skills, motivations, values, positionalities, and temperaments that may differentially incline individuals to particular public translation activities.MethodsHere we briefly contextualize engagement activities within a scholarly portfolio, describe the use of one public education program—March Mammal Madness (MMM)— to highlight approaches to science communication, and explore essential elements and practical considerations for creating and sustaining outreach pursuits in tandem with other scholarly activities.ResultsMMM, an annual simulated tournament of living and fossil animal taxa, has reached hundreds of thousands of learners since 2013. This program has provided a platform to communicate research findings from biology and anthropology and showcase numerous scholars in these fields. MMM has leveraged tournament devices to intentionally address topics of climate change, capitalist environmental degradation, academic sexism, and racist settler‐colonialism. The tournament, however, has also perpetuated implicit biases that need disrupting.ConclusionsBy embracing reflexive, self‐interrogative, and growth attitudes, the tournament organizers iteratively refine and improve this public science education program to better align our activities with our values and goals. Our experiences with MMM suggest that dispersing science is most sustainable when we combine ancestral adaptations for cooperation, community, and storytelling with good‐natured competition in the context of shared experiences and shared values.
Kleefstra syndrome: Recurrence in siblings due to a paternal mosaic mutation
Authors: Jobic Florence , Lacot‐Leriche Emilie , Piton Amélie , Le Moing Anne‐Gaëlle , Mathieu‐Dramard Michèle , Costantini Sara , Morin Gilles , Jedraszak Guillaume 
Published: August 2021

AbstractKleefstra syndrome (KS) is a rare autosomic dominant genetic disorder caused by euchromatic histone methyltransferase 1 (EHMT1) alterations. Patients mainly present with moderate to severe intellectual disability, a severe delay in/or absence of speech, autism spectrum disorder, childhood hypotonia, neuropsychiatric anomalies, and distinctive dysmorphic features. Here, we report the cases of a male and a female, two younger siblings of three, with asymptomatic parents. An EHMT1 new mutation was identified. Both presented with a typical core phenotype. Some specific features were noted, such as macrocephaly (previously reported) and enuresis (not yet described). Parental analysis identified the mutation in the mosaic state in the father. Reverse phenotyping enabled us to highlight the pauci phenotype features of inguinal hernia, azoospermia, and possible behavioral disorders. This allowed us to adapt his follow‐up and genetic counseling for the family. Our three reported cases provide a new description of KS with an intragenic EHMT1 mutation, whereas in the literature most reported cases have EHMT1 deletions. Moreover, in the areas of next‐generation sequencing and trio techniques with parental segregation, it is important to remain cautious about disregarding variants based on an autosomal recessive hypothesis.
Nitrogen‐Doped Cobalt Diselenide with Cubic Phase Maintained for Enhanced Alkaline Hydrogen Evolution
Authors: Sun Yiqiang , Li Xiuling , Zhang Tao , Xu Kun , Yang Yisong , Chen Guozhu , Li Cuncheng , Xie Yi 
Published: August 2021

AbstractThe introduction of heteroatoms is one of the most important ways to modulate the intrinsic electronic structure of electrocatalysts to improve their catalytic activity. However, for transition metal chalcogenides with highly symmetric crystal structure (HS‐TMC), the introduction of heteroatoms, especially those with large atomic radius, often induces large lattice distortion and vacancy defects, which may lead to structural phase transition of doped materials or structural phase reconstruction during the catalytic reaction. Such unpredictable situations will make it difficult to explore the connection between the intrinsic electronic structure of doped catalysts and catalytic activity. Herein, taking thermodynamically stable cubic CoSe2 phase as an example, we demonstrate that nitrogen incorporation can effectively regulate the intrinsic electronic structure of HS‐TMC with structural phase stability and thus promote its electrocatalytic activity for the hydrogen evolution activity (HER). In contrast, the introduction of phosphorus can lead to structural phase transition from cubic CoSe2 to orthorhombic phase, and the structural phase of phosphorus‐doped CoSe2 is unstable for HER.
Rational Design of Sustainable Liquid Microcapsules for Spontaneous Fragrance Encapsulation
Authors: Mamusa Marianna , Mastrangelo Rosangela , Glen Tom , Murgia Sergio , Palazzo Gerardo , Smets Johan , Baglioni Piero 
Published: August 2021

AbstractThe high volatility, water‐immiscibility, and light/oxygen‐sensitivity of most aroma compounds represent a challenge to their incorporation in liquid consumer products. Current encapsulation methods entail the use of petroleum‐based materials, initiators, and crosslinkers as well as mixing, heating, and purification steps. Hence, more efficient and eco‐friendly approaches to encapsulation must be sought. Herein, we propose a simple method by making use of a pre‐formed amphiphilic polymer and employing the Hansen Solubility Parameters approach to determine which fragrances could be encapsulated by spontaneous coacervation in water. The coacervates do not precipitate as solids but they remain suspended as colloidally stable liquid microcapsules, as demonstrated by fluorescence correlation spectroscopy. The effective encapsulation of fragrance is proven through confocal Raman spectroscopy, while the structure of the capsules is investigated by means of cryo FIB/SEM, confocal laser scanning microscopy, and small‐angle X‐ray scattering.
Preparation and performance of a kitchen waste oil‐modified polyvinyl alcohol‐grafted urea slow‐release fertilizer
Authors: Qi Xin , Guo Yu , Chen Qianlin , Zhao Xiaohan , Ao Xianquan 
Published: August 2021

AbstractSlow‐release fertilizers (MSRFs) are effective in improving fertilizer utilization and reducing environmental fertilizer pollution. In this study, polyvinyl alcohol (PVA) was modified with kitchen waste oil (KWO) and grafted with urea to prepare a urea MSRF. FTIR, Scanning electron microscopy, X‐ray diffraction and water contact angle were used to study the MSRF structure and properties. The effects of the nitrogen content on its properties were also investigated through release performance and degradation behavior evaluation and plant experiments. The results showed that the oil‐based polyalcohol‐modified PVA (OPMPVA) solution prepared from KWO had good compatibility with the urea‐modified compound hydroxylurea, and the prepared MSRF had good hydrophobicity, degradation and slow‐release properties. The nutrient release period reached more than 20 days, and the degradation rate after 30 days reached 10.2%. Plant experiments showed that the MSRF prepared in this research has good application potential, and the utilization of nitrogen nutrients was improved.
Pilot scale production and evaluation of mechanical and thermal properties of P(3HB) from Bacillus megaterium cultivated on desugarized sugar beet molasses
Authors: Schmid Maximilian T. , Sykacek Eva , O'Connor Kevin , Omann Markus , Mundigler Norbert , Neureiter Markus 
Published: August 2021

AbstractProduction of poly[(R)‐3‐hydroxyalkanoate] (PHA) biopolyesters must become more cost efficient in order to be competitive with conventional plastics as well as other bioplastics. This study introduces a simple and reproducible large‐scale production process of poly(3‐hydroxybutyrate) P(3HB) with Bacillus megaterium based on desugarized sugar beet molasses and compares its material properties with commercially available types of PHA. A repeated batch cultivation system was evaluated in 1.2 L bioreactors and could be maintained for at least six cycles without a decrease in process stability, yielding a concentration of 20.4 g/L cell dry mass and 12 g/L P(3HB) per average process cycle. Feasibility of P(3HB) production was demonstrated at 500 L pilot scale to provide sufficient amounts of product for the determination of mechanical and thermal polymer properties. A volumetric productivity of 0.2 g L−1 h−1 was achieved. The resulting polymer exhibited a high tensile modulus of 3.73 GPa and tensile strength of 38.5 MPa. Despite a lower ductility and Vicat softening temperature, the properties of the recovered P(3HB) are comparable to commercial grade P(HB)HV polymers.
New specimens provide insights into the anatomy of the dinosauriform Lewisuchus admixtus Romer, 1972 from the upper Triassic levels of the Chañares Formation, NW Argentina
Authors: Agnolín Federico , Brissón Egli Federico , Ezcurra Martín D. , Langer Max C. , Novas Fernando 
Published: August 2021

AbstractLewisuchus admixtus is an early dinosauriform described by Alfred Romer in 1972 on the basis of a single, incomplete skeleton, collected in lower Upper Triassic rocks of the renowned Chañares Formation, at the Los Chañares type‐locality, La Rioja Province, north‐western Argentina. Recent field explorations to the type‐locality resulted in the discovery of two partial articulated skeletons, which provide significant novel information. The cranial bones, presacral series, femur, tibia, and proximal tarsals of the new specimens match the preserved overlapping anatomy of the holotype and previously referred specimens of L. admixtus, including the presence of unique combination of character states among dinosauriforms (anterior presacral column with additional ossification on the top of neural spines, dorsal neural spines fan‐shaped, anterior surface of the astragalus with a dorsally curved groove, and an inflated area on the anterior portion of the medial surface of this bone). This new information improves our understanding of the anatomy and taxonomy of early dinosauriforms and reinforces the role of Argentinean beds on the study of the origin of dinosaurs.
Mechanical Motion in Crystals Triggered by Solid State Photochemical [2+2] Cycloaddition Reaction
Authors: Khan Samim , Akhtaruzzaman  , Medishetty Raghavender , Ekka Akansha , Mir Mohammad Hedayetullah 
Published: August 2021

AbstractSome special crystals respond to light by jumping, scattering or bursting just like popping of popcorn kernels on a hot surface. This rare phenomenon is called the photosalient (PS) effect. Molecular level control over the arrangement of light‐responsive molecules in microscopic crystals for macroscale deformation or mechanical motion offers the possibility of using light to control smart material structures across the length scales. Photochemical [2+2] cycloaddition has recently emerged as a promising route to obtain photoswitchable structures and a wide variety of frameworks, but such reaction in crystals leading to macroscopic mechanical motion is relatively less explored. Study of chemistry of such novel soft crystals for the generation of smart materials is an imperative task. This minireview highlights recent advances in solid‐state [2+2] cycloaddition in crystals to induce macroscale mechanical motion and thereby transduction of light into kinetic energy.
Leloir glycosyltransferases enabled to flow synthesis: Continuous production of the natural C‐glycoside nothofagin
Authors: Liu Hui , Nidetzky Bernd 
Published: August 2021

AbstractC‐glycosyltransferase (CGT) and sucrose synthase (SuSy), each fused to the cationic binding module Zbasic2, were co‐immobilized on anionic carrier (ReliSorb SP400) and assessed for continuous production of the natural C‐glycoside nothofagin. The overall reaction was 3ʹ‐C‐β‐glycosylation of the polyphenol phloretin from uridine 5ʹ‐diphosphate (UDP)‐glucose that was released in situ from sucrose and UDP. Using solid catalyst optimized for total (∼28 mg/g) as well as relative protein loading (CGT/SuSy = ∼1) and assembled into a packed bed (1 ml), we demonstrate flow synthesis of nothofagin (up to 52 mg/ml; 120 mM) from phloretin (≥95% conversion) solubilized by inclusion complexation in hydroxypropyl β‐cyclodextrin. About 1.8 g nothofagin (90 ml; 12–26 mg/ml) were produced continuously over 90 reactor cycles (2.3 h/cycle) with a space‐time yield of approximately 11 mg/(ml h) and a total enzyme turnover number of up to 2.9 × 103 mg/mg (=3.8 × 105 mol/mol). The co‐immobilized enzymes exhibited useful effectiveness (∼40% of the enzymes in solution), with limitations on the conversion rate arising partly from external liquid–solid mass transfer of UDP under packed‐bed flow conditions. The operational half‐life of the catalyst (∼200 h; 30°C) was governed by the binding stability of the glycosyltransferases (≤35% loss of activity) on the solid carrier. Collectively, the current study shows integrated process technology for flow synthesis with co‐immobilized sugar nucleotide‐dependent glycosyltransferases, using efficient glycosylation from sucrose via the internally recycled UDP‐glucose. This provides a basis from engineering science to promote glycosyltransferase applications for natural product glycosides and oligosaccharides.
Electrochemical Cleavage of Carbon‐Chlorine Bonds in Multiply Bridge‐Chlorinated Bicyclo[1.1.1]pentane‐1,3‐dicarboxylic Acids
Authors: Kaleta Jiří , Hromadová Magdaléna , Pospíšil Lubomír 
Published: August 2021

AbstractInvited for this month's cover picture is the group of synthetic and physical chemists from the Czech Academy of Sciences. The cover picture shows electrochemical dechlorination of polychlorinated derivatives of bicyclo[1.1.1]pentane‐1,3‐dicarboxylic acid. Read the full text of the Article at 10.1002/celc.202100372.
Diarylheptanoid‐flavanone Hybrids as Multiple‐target Antidiabetic Agents from Alpinia katsumadai
Authors: He Xiao‐Feng , Chen Ji‐Jun , Li Tian‐Ze , Hu Jing , Huang Xiao‐Yan , Zhang Xue‐Mei , Guo Yuan‐Qiang , Geng Chang‐An 
Published: August 2021

Main observation and conclusionThe EtOAc fraction of Alpinia katsumadai seeds showed significant inhibition on glycogen phosphorylase a (GPa) with inhibitory ratios of 97.9% and 64.6% at concentrations of 200 and 100 μg/mL, respectively. Bioactivity‐guided isolation afforded 15 new diarylheptanoid‐flavanone hybrids, katsumadainols B1—B15 (1—15), together with eight known ones (16—23). Compounds 4—10 and 12—21 exhibited activity against GPa with IC50 values of 10.1—95.4 μmol/L; compounds 4, 5, 16, and 17 displayed inhibitory effects on α‐glucosidase with IC50 values of 7.1, 12.4, 7.2, and 8.3 μmol/L, obviously higher than acarbose (IC50, 209.1 μmol/L); compounds 4—6, 14, 16—20, 22, and 23 were PTP1B/TCPTP selective inhibitors with IC50 values of 40.7—95.8 μmol/L; compounds 4, 5, 16, and 17 showed DPP4 inhibitory effects with inhibitory ratios of 50.0%—54.2% (200 μmol/L). Diarylheptanoid‐flavanone hybrids (4, 5, 16, and 17) with a p‐hydroxybenzyl at C‐6 position represent a promising class of multiple‐target antidiabetic agents inhibiting GPa, α‐glucosidase, PTP1B, and DPP4.
The [1,2,4]Triazolo[4,3‐a]pyridine as a New Player in the Field of IDO1 Catalytic Holo‐Inhibitors
Authors: Fallarini Silvia , Bhela Irene P. , Aprile Silvio , Torre Enza , Ranza Alice , Orecchini Elena , Panfili Eleonora , Pallotta Maria T. , Massarotti Alberto , Serafini Marta , Pirali Tracey 
Published: August 2021

AbstractInhibitors of indoleamine 2,3‐dioxygenase 1 (IDO1) are considered a promising strategy in cancer immunotherapy as they are able to boost the immune response and to work in synergy with other immunotherapeutic agents. Despite the fact that no IDO1 inhibitor has been approved so far, recent studies have shed light on the additional roles that IDO1 mediates beyond its catalytic activity, conferring new life to the field. Here we present a novel class of compounds originated from a structure‐based virtual screening made on IDO1 active site. The starting hit compound is a novel chemotype based on a [1,2,4]triazolo[4,3‐a]pyridine scaffold, so far underexploited among the heme binding moieties. Thanks to the rational and in silico‐guided design of analogues, an improvement of the potency to sub‐micromolar levels has been achieved, with excellent in vitro metabolic stability and exquisite selectivity with respect to other heme‐containing enzymes.