bluuebunny/crossref_metadata_2025_split huggingface dataset:
Construction of a novel double network polymer composite and evaluation of its highly efficient adsorption properties for copper ions
Authors: Wu Xiaoqiong , Song Yutong , Yin Ping , Xu Qiang , Yang Zhenglong , Xu Yanbin , Liu Xiguang , Wang Feng , Wang Ying , Sun Wenjuan , Cai Honglan 
Published: August 2022

AbstractTo explore more efficient heavy metal copper ions adsorbents with double network polymers, this work has presented the novel fabrication processes of the polymer composite diatomaceous earth/polydopamine‐polyethyleneimine/alginate DE@PDA‐PEI@SA, which was characterized by FT‐IR, SEM, EDS, XPS, and was efficiently utilized for copper ions adsorption. The relevant adsorption behaviors of DE@PDA‐PEI@SA for copper ions such as the effect of pH, the effect of adsorbent dosage, adsorption kinetics, adsorption isotherm etc. have been investigated. The results reveal that the adsorption kinetics of DE@PDA‐PEI@SA for copper ions at different temperatures can be modeled by the pseudo second‐order rate equation, the experimental data fit well with the Langmuir isotherm model, indicating a homogeneous monolayer adsorption, and the maximum adsorption capacity of DE@PDA‐PEI@SA for copper ions could reach 454.55 mg/g at 35°C that is very high compared to other reported adsorbent materials. The research results indicate that DE@PDA‐PEI@SA is a novel efficient adsorbent with high efficiency in wastewater treatment and water purification, which could provide a facile processing for copper adsorption.
Post‐Assembly Modification of Protein Cages by Ubc9‐Mediated Lysine Acylation
Authors: Levasseur Mikail D. , Hofmann Raphael , Edwardson Thomas G. W. , Hehn Svenja , Thanaburakorn Manutsawee , Bode Jeffrey W. , Hilvert Donald 
Published: August 2022

AbstractAlthough viruses have been successfully repurposed as vaccines, antibiotics, and anticancer therapeutics, they also raise concerns regarding genome integration and immunogenicity. Virus‐like particles and non‐viral protein cages represent a potentially safer alternative but often lack desired functionality. Here, we investigated the utility of a new enzymatic bioconjugation method, called lysine acylation using conjugating enzymes (LACE), to chemoenzymatically modify protein cages. We equipped two structurally distinct protein capsules with a LACE‐reactive peptide tag and demonstrated their modification with diverse ligands. This modular approach combines the advantages of chemical conjugation and genetic fusion and allows for site‐specific modification with recombinant proteins as well as synthetic peptides with facile control of the extent of labeling. This strategy has the potential to fine‐tune protein containers of different shape and size by providing them with new properties that go beyond their biologically native functions.
Epitope Fine Mapping by Mass Spectrometry: Investigations of Immune Complexes Consisting of Monoclonal Anti‐HpTGEKP Antibody and Zinc Finger Protein Linker Phospho‐Hexapeptides
Authors: Scherf Maximilian , Danquah Bright D. , Koy Cornelia , Lorenz Peter , Steinbeck Felix , Neamtu Andrei , Thiesen Hans‐Jürgen , Glocker Michael O. 
Published: August 2022

AbstractAccurate formation of antibody‐antigen complexes has been relied on in both, multitudes of scientific projects and ample therapeutic and diagnostic applications. Mass spectrometrically determined dissociation behavior of immune complexes with the anti‐HpTGEKP antibody revealed that the ten most frequently occurring phospho‐hexapeptide linker sequences from C2H2 zinc finger proteins could be divided into two classes: orthodox binders, where strong noncovalent interactions developed as anticipated, and unorthodox binders with deviating structures and weaker binding. Phosphorylation of threonine was compulsory for antibody binding in an orthodox manner. Gas phase dissociation energy determinations of seven C2H2 zinc finger protein linker phospho‐hexapeptides with orthodox binding properties revealed a bipolar binding motif of the antibody paratope. Epitope peptides, which in addition to the negatively charged phospho‐threonine residue were C‐terminally flanked by positively charged residues provided stronger binding, i. e. dissociation was endothermic, than peptides with acidic amino acid residues at these positions, for which dissociation was exothermic.
Proteophenes – Amino Acid Functionalized Thiophene‐based Fluorescent Ligands for Visualization of Protein Deposits in Tissue Sections with Alzheimer's Disease Pathology
Authors: Björk Linnea , Bäck Marcus , Lantz Linda , Ghetti Bernardino , Vidal Ruben , Klingstedt Therése , Nilsson K. Peter R. 
Published: August 2022

AbstractProtein deposits composed of specific proteins or peptides are associated with several neurodegenerative diseases and fluorescent ligands able to detect these pathological hallmarks are vital. Here, we report the synthesis of a class of thiophene‐based ligands, denoted proteophenes, with different amino acid side‐chain functionalities along the conjugated backbone, which display selectivity towards specific disease‐associated protein aggregates in tissue sections with Alzheimer's disease (AD) pathology. The selectivity of the ligands towards AD associated pathological hallmarks, such as aggregates of the amyloid‐β (Aβ) peptide or tau filamentous inclusions, was highly dependent on the chemical nature of the amino acid functionality, as well as on the location of the functionality along the pentameric thiophene backbone. Finally, the concept of synthesizing donor‐acceptor‐donor proteophenes with distinct photophysical properties was shown. Our findings provide the structural and functional basis for the development of new thiophene‐based ligands that can be utilized for optical assignment of different aggregated proteinaceous species in tissue sections.
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine‐Cytosine in Chloroform
Authors: Green James A. , Gómez Sandra , Worth Graham , Santoro Fabrizio , Improta Roberto 
Published: August 2022

AbstractWe study the ultrafast photoactivated dynamics of the hydrogen bonded dimer Guanine‐Cytosine in chloroform solution, focusing on the population of the Guanine→Cytosine charge transfer state (GC‐CT), an important elementary process for the photophysics and photochemistry of nucleic acids. We integrate a quantum dynamics propagation scheme, based on a linear vibronic model parameterized through time dependent density functional theory calculations, with four different solvation models, either implicit or explicit. On average, after 50 fs, 30∼40 % of the bright excited state population has been transferred to GC‐CT. This process is thus fast and effective, especially when transferring from the Guanine bright excited states, in line with the available experimental studies. Independent of the adopted solvation model, the population of GC‐CT is however disfavoured in solution with respect to the gas phase. We show that dynamical solvation effects are responsible for this puzzling result and assess the different chemical‐physical effects modulating the population of CT states on the ultrafast time‐scale. We also propose some simple analyses to predict how solvent can affect the population transfer between bright and CT states, showing that the effect of the solute/solvent electrostatic interactions on the energy of the CT state can provide a rather reliable indication of its possible population.
Controlling the Nature of Photoluminescence of Emissive Metal Nanoclusters
Authors: Li Hao , Kang Xi , Zhu Manzhou 
Published: August 2022

AbstractPhotoluminescence (PL) serves as one of the most attractive chemical‐physical properties of metal nanoclusters. However, the control over the PL nature of metal nanoclusters as fluorescence or phosphorescence remains challenging. Basically, the PL nature control concerns the transition regulation of excited electrons in nanoclusters from their excited state to the ground state. Up to the present, some cases have been reported on adjusting the PL nature of emissive nanoclusters via different means, including the composition regulation, the isomerization, the aggregation, and the temperature variation. At the same time, theoretical calculations have been performed to thoroughly understand the PL nature transformation of these emissive nanoclusters in terms of their electronic structures and transition pathways. This Concept highlights and reviews the recent progress in controlling the PL nature of emissive nanoclusters as fluorescence or phosphorescence, which hopefully paves the way for fabricating novel nanoclusters or cluster‐based nanomaterials with customized PL properties.
Diagnosis of Langerhans cell histiocytosis on cytological examination of cerebrospinal fluid: Report of the first case
Authors: Tommasino Francesco , Cardamone Chiara , Tortora Vincenzo , Sabbatino Francesco , Di Sarno Chiara , Caputo Alessandro 
Published: August 2022

AbstractLangerhans cell histiocytosis (LCH) is a disease of unknown etiology characterized by a proliferation of histiocytic cells resembling dendritic Langerhans cells.LCHcan be unifocal or multifocal, with one‐ or many‐organ involvement. The serous fluids are rarely involved. Cytological diagnosis ofLCHis possible and relies on recognition of the typical cytomorphological features and subsequent immunocytochemical confirmation. Given the possibility of multisystem involvement, after diagnosingLCHit is necessary to carry out staging exams such as a bone survey, abdominal ultrasound, complete blood count, screening for diabetes insipidus and pulmonary function tests. We present the first case ofLCHwhere the diagnosis was reached on cytological material from the cerebrospinal fluid. To the best of our knowledge, this is the first such case reported in the international literature to date. The morphological and immunocytochemical characteristics of our case are described, and the relevant literature is reviewed
Population genetic diversity and structure of Rhinogobius candidianus (Gobiidae) in Taiwan: Translocation and release
Authors: Kang Bin , Hsu Kui‐Ching , Wu Jui‐Hsien , Chiu Yuh‐Wen , Lin Hung‐Du , Ju Yu‐Min 
Published: August 2022

AbstractRhinogobius candidianus is a freshwater goby distributed in north, northwest, west, and south Taiwan, but this species has been introduced to east Taiwan and became dominant. To investigate its native population genetic diversity and structure and evaluate the sources and diversity of translocated populations, the mitochondrial DNA control region and cytochrome b gene (1981 bp) from 220 specimens were analyzed. These results indicated that (1) the east populations originated from two sources in west Taiwan; (2) translocated populations exist in east Taiwan and south Taiwan; (3) many populations have likely been moved secondarily by human intervention; (4) the effective size of the populations had declined greatly; (5) within the native populations, the ancestral populations colonized Taiwan during the land bridge phase in the Pleistocene through north Taiwan; (6) the landform changes in Taiwan shaped the population structure; and (7) the landforms of the coastline during glaciation also shaped the native range. The low‐level genetic diversity, high population differentiation, and population decline greatly suggest the need for resource management and conservation interventions. Four clades (α–δ) should be managed as four distinct evolutionarily significant units, while the translocated populations should be managed as separate management units. Moreover, the translocated populations in east Taiwan should be evaluated and monitored carefully.
The Cation‐π Interactions in a Potassium Alkylideneborane Complex
Authors: Cui Ping , Gao Hao , Wang Yu , Tung Chen‐Ho , Kong Lingbing 
Published: August 2022

AbstractThe complexation of dibromo‐fluorenylborane (FluH‐BBr2) with bulky bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene (IPr) afforded N‐heterocyclic carbene (NHC) borane adduct 1, which could be subsequently dehydrobrominated by smaller 1,3‐diisopropyl‐4,5‐dimethylimidazol‐2‐ylidene (IPr2Me2) to give the alkylideneborane‐NHC complex 2. Species 2 readily binds with potassium ion to form a potassium alkylideneborane complex 3 through exclusive cation‐π interactions.
Main Group Catalysis
Authors: Inoue Shigeyoshi , Melen Rebecca L. , Harder Sjoerd 
Published: August 2022

AbstractMain group compounds have drawn much attention due to their potential applications in bond activation and catalysis. The development in the field of main group catalysis has deepened our understanding both experimentally and theoretically, allowing rational design of main group compounds to fine‐tune their reactivity and related catalytic applications. With diverse ongoing research in this area, new classes of more environmentally friendly, cheap, and abundant main group catalysts are being discovered to serve as transition metal mimics. The Guest Editors briefly introduce the field of main group catalysis and the research in this collection.
Hippocampal fear engrams modulate ethanol‐induced maladaptive contextual generalization in mice
Authors: Cincotta Christine , Ruesch Evan , Senne Ryan , Ramirez Steve 
Published: August 2022

AbstractThe compounding symptomatology of alcohol use disorder (AUD) and co‐occurring mental health disorders gives rise to interactions of maladaptive neurobiological processes, the etiology of which are elusive. Here, we devised an optogenetic strategy aimed at rescuing maladaptive fear processing in male c57BL/6 mice that underwent a chronic ethanol administration and forced abstinence paradigm. In the first experiment, we confirmed that fear acquisition and maladaptive contextual generalization was potentiated in ethanol‐exposed mice during fear conditioning and exposure to a novel environment, respectively. In the second experiment, using an activity‐dependent tet‐tag system, we labeled the neural ensemble selectively activated by contextual fear conditioning in the dorsal hippocampus with an inhibitory opsin to attenuate behavioral dysfunctions resulting from ethanol exposure. We found that acute optogenetic perturbations during exposure to a novel environment suppressed maladaptive generalization in ethanol‐exposed mice. These results provide further evidence for a crucial link between ethanol exposure and impaired fear memory processing by providing cellular and behavioral insights into the neural circuitry underlying AUD and maladaptive fear processing.
Vegetation effects on soil pore structure and hydraulic properties in volcanic ash soils of the high Andes
Authors: Páez‐Bimos Sebastián , Villacís Marcos , Morales Oscar , Calispa Marlon , Molina Armando , Salgado Silvia , de Bievre Bert , Delmelle Pierre , Muñoz Teresa , Vanacker Veerle 
Published: August 2022

AbstractSoil hydraulic properties control the provision of hydrological services. Vegetation and topography influence these properties by altering soil structure and porosity. The underlying mechanisms are not yet fully understood for the high Andean region. In this study, we examined how vegetation and topographic attributes are related to soil hydraulic properties and soil pore structure in young volcanic ash soils, and further correlated them to soil texture, organic carbon, and root characteristics to explain these relationships. In a 0.7 km2 study site located in the Andean páramo of northern Ecuador, we measured soil water retention, saturated hydraulic conductivity, bulk density (BD), and pore size distribution parameters on eight soil profiles with contrasting vegetation types (cushion‐forming plants vs. tussock grasses) and topographic positions (summit vs. hillslope). We observed significant differences in soil hydraulic properties and soil pore structure in the uppermost horizons by vegetation type, whereas topography had a minor effect. In the A horizons, we found higher water retention at saturation and field capacity (10%–14%), higher total available water (8%–15%), and higher saturated hydraulic conductivity (4–12 times) under cushion‐forming plants compared to tussock grasses. The elevated values under cushion plants were attributed to the presence of larger pores, lower soil BD, and higher soil organic carbon content as a result of coarser root systems. Total available water was generally high (0.34–0.40 cm3 cm−3), and locally not associated with any soil property. The higher water retention in soils under cushion vegetation can enhance soil water storage for plants and the regulation of water flows during prolonged rainfall events. The saturated hydraulic conductivity of the surface horizons is high compared to rainfall intensities resulting in high infiltration capacity; whilst its decline with depth reveals the potential for generation of subsurface stormflow, especially below cushion‐forming plants. Our findings highlight that soil hydraulic properties differ among vegetation types, and show the significance of vegetation types for soil hydrology.
Examining maternal morbidity across a spectrum of delivery locations: An analysis of the Global Network's Maternal and Neonatal Health Registry
Authors: Oberlin Austin , Wallace Jacqueline , Moore Janet L. , Saleem Sarah , Lokangaka Adrien , Tshefu Antoinette , Bauserman Melissa , Figueroa Lester , Krebs Nancy F. , Esamai Fabian , Liechty Edward , Bucher Sheri , Patel Archana B. , Hibberd Patricia L. , Chomba Elwyn , Carlo Waldemar A. , Goudar Shivaprasad , Derman Richard J. , Koso‐Thomas Marion , McClure Elizabeth M. , Goldenberg Robert L. 
Published: August 2022

AbstractObjectiveTo better understand maternal morbidity, using quality data from low‐ and middle‐income countries (LMICs), including out‐of‐hospital deliveries. Additionally, to compare to the WHO estimate that maternal morbidity occurs in 15% of pregnancies, which is based largely on hospital‐level data.MethodsThe Global Network for Women's and Children's Health Research Maternal Newborn Health Registry collected data on all pregnancies from seven sites in six LMICs between 2015 and 2020. Rates of maternal mortality and morbidity and the differences in morbidity across delivery location and birth attendant type were evaluated.ResultsAmong the 280 584 deliveries included in the present analysis, the overall maternal mortality ratio was 138 per 100 000, while 11.7% of women experienced at least one morbidity. Rates of morbidity were generally higher for deliveries occurring within hospitals (19.8%) and by physicians (23.6%). The lowest rates of morbidity were noted among women delivering in non‐hospital healthcare facilities (5.6%) or with non‐physician clinicians (e.g. nurses, midwives [5.4%]).ConclusionThe present study shows important differences in reported maternal morbidity across delivery sites, with a trend towards lower morbidity in non‐hospital healthcare facilities and among non‐physician clinicians.
The invalidity of intermolecular proton transfer triggered twisted intramolecular charge transfer in excited state for 2‐(4′‐diethylamino‐2′‐hydroxyphenyl)‐1H‐imidazo‐[4,5‐b]pyridine
Authors: Yang Qian , Peng Ya‐Jing , Liu Yu‐Hui 
Published: August 2022

AbstractThe excited‐state dynamics of the excited‐state proton transfer and intramolecular twisted charge transfer (TICT) reactions of a molecular photoswitch 2‐(4′‐diethylamino‐2′‐hydroxyphenyl)‐1H‐imidazo‐[4,5‐b]pyridine (DHP) in aprotic and alcoholic solvents have been theoretically investigated by using time‐dependent density functional theory. The excited‐state intramolecular proton transfer (ESIPT) reaction of DHP proceeding upon excitation in all the solvents has been confirmed, and the dual emission has been assigned to the enol and keto forms of DHP. However, for methanol and ethanol solvents within strong hydrogen‐bonded capacity, the intermolecular hydrogen bonds between DHP and methanol/ethanol would promote an excited‐state double proton transfer (ESDPT) along the hydrogen‐bonded bridge. Importantly, the previous proposed ESDPT‐triggered TICT mechanism of DHP in methanol and ethanol was not supported by our calculations. The twist motion would increase the total energy of the system for both the products of ESIPT and ESDPT. According to the calculations of the transition states, the ESDPT reaction occurs much easier in keto form generated by ESIPT. Therefore, a sequential ESIPT and ESDPT mechanism of DHP in methanol and ethanol has been reasonably proposed.
Sodium‐glucose co‐transporter 2 inhibitors and hematopoiesis
Authors: Yaribeygi Habib , Maleki Mina , Nasimi Fatemeh , Butler Alexandra E. , Jamialahmadi Tannaz , Sahebkar Amirhossein 
Published: August 2022

AbstractMany patients with diabetes mellitus, especially those with chronic kidney disorders, have some degree of anemia due to a spectrum of causes and underlying pathophysiologic pathways. As such, enhancement in erythropoiesis is important in these patients. Sodium‐glucose cotransporter 2 inhibitors (SGLT2i) are a relatively new class of antidiabetic drugs with confirmed protective effects in kidney and cardiovascular tissues. Recent evidence suggests that these drugs may provide additional benefits in enhancing hematopoietic processes in diabetic patients. Though the exact mediating pathways have not been fully elucidated, cellular mechanisms are likely involved. In the current study, we present the potential pathways by which SGLT2i may modulate hematopoiesis and stimulate erythropoiesis.
Removal of subgraphs and perfect matchings in graphs on surfaces
Authors: Aldred R. E. L. , Fujisawa Jun 
Published: August 2022

AbstractLet be the Euler characteristic of a surface . We characterize the set of graphs of order at most 6 which satisfies the following: If is a 5‐connected graph embedded in a surface of face‐width at least and is a subgraph of isomorphic to such that has even order, then has a perfect matching. An analogous result on near‐perfect matching is given as well. Moreover, we show the following result. Let be a 5‐connected graph embedded in a surface and let be connected subgraphs of of size at most which lie pairwise sufficiently far apart in the face‐subdivision of . We prove that, if the face‐width of is at least and satisfies for each with , then satisfies as well, where is said to satisfy if has at most components for every . It is also shown that the distance condition can be considerably weakened when triangulates the surface. All of these results generalize previous studies on matching extension in graphs on surfaces.
HypermobileEhlers‐DanlosSyndrome: A Prodromal Subtype of Functional Movement Disorders?
Authors: Margolesky Jason , Puentes Dyanet , Espay Alberto J. 
Published: August 2022

ABSTRACTBackgroundThe phenotypic diversity of functional movement disorders (FMD) is considered a reflection of its many etiological subtypes. Ehlers‐Danlos syndrome (EDS), a joint hypermobility syndrome, also has variable phenotypes, which may include functional symptoms.ObjectivesTo determine the prevalence of combined diagnoses of FMD and EDS.MethodsWe searched our Electronic Medical Records for patients carrying diagnostic codes for EDS and FMD. Further data extraction was done through chart review.ResultsOf 11,621 patients evaluated from January 1, 2016 to May 1, 2022, 16 carried a diagnosis of EDS, of which 9 (56.3%) were also diagnosed with FMD. Conversely, a diagnosis of FMD was documented in 190 (1.6%), of whom 16 (8.4%) were diagnosed with EDS. In all EDS‐FMD cases, the diagnosis of EDS preceded the onset and diagnosis of FMD.ConclusionsThe co‐occurrence of FMD and EDS is beyond chance, suggesting association. EDS may represent a prodromal subtype of, and share common pathophysiologic features with, FMD.