bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mode‐Specific Vibrational Analysis of Exciton Delocalization and Structural Dynamics in Conjugated Oligomers
Authors: Kim Woojae , Tahara Shinya , Kuramochi Hikaru , Takeuchi Satoshi , Kim Taeyeon , Tahara Tahei , Kim Dongho 
Published: March 2021

AbstractExciton delocalization in organic semiconducting polymers, affected by structures at a molecular level, plays a crucial role in modulating relaxation pathways, such as charge generation and singlet fission, which can boost device efficiency. However, the structural diversity of polymers and broad signals from typical electronic spectroscopy have their limits when it comes to revealing the interplay between local structures and exciton delocalization. To tackle these problems, we apply femtosecond stimulated Raman spectroscopy in archetypical conjugated oligothiophenes with different chain lengths. We observed Raman frequency dispersions of symmetric bond stretching modes and mode‐specific kinetics in the S1 Raman spectra, which underpins the subtle and complex interplay between exciton delocalization and bond length alternation along the conjugation coordinate. Our results provide a more general picture of exciton delocalization in the context of molecular structures for conjugated materials.
Defect Passivation in Lead‐Halide Perovskite Nanocrystals and Thin Films: Toward Efficient LEDs and Solar Cells
Authors: Ye Junzhi , Byranvand Mahdi Malekshahi , Martínez Clara Otero , Hoye Robert L. Z. , Saliba Michael , Polavarapu Lakshminarayana 
Published: March 2021

AbstractLead‐halide perovskites (LHPs), in the form of both colloidal nanocrystals (NCs) and thin films, have emerged over the past decade as leading candidates for next‐generation, efficient light‐emitting diodes (LEDs) and solar cells. Owing to their high photoluminescence quantum yields (PLQYs), LHPs efficiently convert injected charge carriers into light and vice versa. However, despite the defect‐tolerance of LHPs, defects at the surface of colloidal NCs and grain boundaries in thin films play a critical role in charge‐carrier transport and nonradiative recombination, which lowers the PLQYs, device efficiency, and stability. Therefore, understanding the defects that play a key role in limiting performance, and developing effective passivation routes are critical for achieving advances in performance. This Review presents the current understanding of defects in halide perovskites and their influence on the optical and charge‐carrier transport properties. Passivation strategies toward improving the efficiencies of perovskite‐based LEDs and solar cells are also discussed.
Oligonucleotide Bioconjugation with Bifunctional Palladium Reagents
Authors: Jbara Muhammad , Rodriguez Jacob , Dhanjee Heemal H. , Loas Andrei , Buchwald Stephen L. , Pentelute Bradley L. 
Published: March 2021

AbstractOrganometallic reagents enable practical strategies for bioconjugation. Innovations in the design of water‐soluble ligands and the enhancement of reaction rates have allowed for chemoselective cross‐coupling reactions of peptides and proteins to be carried out in water. There are currently no organometallic‐based methods for oligonucleotide bioconjugation to other biomolecules. Here we report bifunctional palladium(II)‐oxidative addition complexes (OACs) as reagents for high‐yielding oligonucleotide bioconjugation reactions. These bifunctional OACs react chemoselectively with amine‐modified oligonucleotides to generate the first isolable, bench stable oligonucleotide‐palladium(II) OACs. These complexes undergo site‐selective C‐S arylation with a broad range of native thiol‐containing biomolecules at low micromolar concentrations in under one hour. This approach provided oligonucleotide‐peptide, oligonucleotide‐protein, oligonucleotide‐small molecule, and oligonucleotide‐oligonucleotide conjugates in >80 % yield and afforded conjugation of multiple copies of oligonucleotides onto a monoclonal antibody.
Antiprotozoal Structure–Activity Relationships of Synthetic Leucinostatin Derivatives and Elucidation of their Mode of Action
Authors: Brand Michael , Wang Lei , Agnello Stefano , Gazzola Silvia , Gall Flavio M. , Raguž Luka , Kaiser Marcel , Schmidt Remo S. , Ritschl Amélie , Jelk Jennifer , Hemphill Andrew , Mäser Pascal , Bütikofer Peter , Adams Michael , Riedl Rainer 
Published: March 2021

AbstractLeucinostatin A is one of the most potent antiprotozoal compounds ever described, but little was known on structure–activity relationships (SAR). We used Trypanosoma brucei as a protozoal model organism to test synthetically modified derivatives, resulting in simplified but equally active compounds 2 (ZHAWOC6025) and 4 (ZHAWOC6027), which were subsequently modified in all regions of the molecule to gain an in‐depth SAR understanding. The antiprotozoal SAR matched SAR in phospholipid liposomes, where membrane integrity, leaking, and dynamics were studied. The mode of action is discussed based on a structure–activity analysis of derivatives in efficacy, ultrastructural studies in T. brucei, and artificial membrane models, mimicking membrane stability and membrane potential. The main site of antiprotozoal action of natural and synthetic leucinostatins lies in the destabilization of the inner mitochondrial membrane, as demonstrated by ultrastructural analysis, electron microscopy and mitochondrial staining. Long‐time sublethal exposure of T. brucei (200 passages) and siRNA screening of 12′000 mutants showed no signs of resistance development to the synthetic derivatives.
Enantiodivergent Kinetic Resolution of 1,1′‐Biaryl‐2,2′‐Diols and Amino Alcohols by Dipeptide‐Phosphonium Salt Catalysis Inspired by the Atherton–Todd Reaction
Authors: Fang Siqiang , Tan Jian‐Ping , Pan Jianke , Zhang Hongkui , Chen Yuan , Ren Xiaoyu , Wang Tianli 
Published: March 2021

AbstractA highly enantiodivergent organocatalytic method is disclosed for the synthesis of atropisomeric biaryls via kinetic resolution inspired by a dipeptide‐phosphonium salt‐catalyzed Atherton–Todd (A‐T) reaction. This flexible approach led to both R‐ and S‐enantiomers by fine‐tuning of bifunctional phosphonium with excellent selectivity factors (s) of up to 1057 and 525, respectively. The potential of newly synthesized O‐phosphorylated biaryl diols was illustrated by the synthesis of axially chiral organophosphorus compounds. Mechanistic investigations suggest that the bifunctional phosphonium halide catalyst differentiates between the in‐situ‐generated P‐species in the A‐T process, mainly involving phosphoryl chloride and phosphoric anhydride, thus leading to highly enantiodivergent O‐phosphorylation reactions. Furthermore hydrogen bonding interactions between the catalysts and phosphorus molecules were crucial in asymmetric induction.
Mechanochemical Release of Non‐Covalently Bound Guests from a Polymer‐Decorated Supramolecular Cage
Authors: Küng Robin , Pausch Tobias , Rasch Dustin , Göstl Robert , Schmidt Bernd M. 
Published: March 2021

AbstractSupramolecular coordination cages show a wide range of useful properties including, but not limited to, complex molecular machine‐like operations, confined space catalysis, and rich host–guest chemistries. Here we report the uptake and release of non‐covalently encapsulated, pharmaceutically‐active cargo from an octahedral Pd cage bearing polymer chains on each vertex. Six poly(ethylene glycol)‐decorated bipyridine ligands are used to assemble an octahedral PdII6(TPT)4 cage. The supramolecular container encapsulates progesterone and ibuprofen within its hydrophobic nanocavity and is activated by shear force produced by ultrasonication in aqueous solution entailing complete cargo release upon rupture, as shown by NMR and GPC analyses.
Visible‐Light‐Induced Cycloaddition of α‐Ketoacylsilanes with Imines: Facile Access to β‐Lactams
Authors: Ye Jian‐Heng , Bellotti Peter , Paulisch Tiffany O. , Daniliuc Constantin G. , Glorius Frank 
Published: March 2021

AbstractWe report the synthesis of β‐lactams from α‐ketoacylsilanes and imines, which proceeds via a formal [2+2] photochemical cycloaddition with in situ generation of siloxyketene. This mild and operationally simple reaction proceeds in an atom‐economic fashion with broad substrate scope, including aldimines, ketimines, hydrazones, and fused nitrogen heterocycles, affording a variety of important β‐lactams with satisfactory diastereoselectivities in most cases. This reaction also features good functional‐group tolerance, facile scalability and product diversification. Experimental and computational studies suggest that α‐ketoacylsilanes can serve as photochemical precursors by engaging in a 1,3 silicon shift to the distal carbonyl group.
Potential use of poly(lactic acid) nanofibers mats as Nano‐sachets in postharvest of climacteric fruits and vegetables
Authors: Miranda Kelvi Wilson Evaristo , Bresolin Joana Dias , Natarelli Caio Vinícius Lima , Benevides Selene Daiha , Bastos Maria do Socorro Rocha , Mattoso Luiz Henrique Capparelli , de Oliveira Juliano Elvis 
Published: March 2021

AbstractThis study is reported as the first demonstration of the use of solution blow spun mats in a Nano‐sachet system containing a humidity absorber hydrogel and a paraffin wax tablet impregnated with potassium permanganate (KMnO4) for exogenous ethylene (ex‐C2H4) oxidation, in order to delay fruit ripening. The tomatoes quality during storage time was characterized by gas chromatography (GC) (ethylene concentration and CO2 emission analysis—respiration rate), and colorimetry (green/red color parameter). Ex‐C2H4 production over storage time was reduced for the Nano‐sachet system when compared to the control system. Color changes, from 72 to 120 h, displayed fruit still predominantly green in the Nano‐Sachet system (a* from −9.1 to −6.9), color transition green‐red in the TNT‐sachet (−7.5 to −0.3) and increased red color fruit in the control system (−6.1 to 3.7). This work suggests that nanofibrous mats can be used as a packaging system with the ability to protect, potentialize ethylene oxidation and extend climacteric fruits and vegetables quality in shelf life.
Multi‐cation side‐chain‐type containing piperidinium group poly(2,6‐dimethyl‐1,4‐phenylene oxide) alkaline anion exchange membranes
Authors: Zhang Mingliang , Zhang Lin , Wu Zhihui , Ding Ao , Shen Chunhui , Gao Shanjun 
Published: March 2021

AbstractA series of alkaline anion exchange membranes (AAEMs) based on poly(2,6‐dimethyl‐1,4‐phenylene oxide) (PPO) with multi‐cation side chain containing piperidinium group were fabricated via nucleophilic substitution and Menshutkin reaction. The chemical structures of the AAEMs (PPO‐AMP‐X) were determined by Fourier transform infrared and proton nuclear magnetic resonance spectra. The resultant PPO‐AMP‐X membranes with the ion exchange capacities (IECs) of 2.05–2.77 mmol g−1 displayed the hydroxide conductivities in the range of 61.04–78.92 mS cm−1 at 80°C. When tested at the same degree of functionalization levels, the PPO‐AMP‐X membranes exhibited significantly higher hydroxide conductivity and lower conductivity loss than conventional AAEMs bearing benzyltri‐methylammonium group (PPO‐TMA). The PPO‐AMP‐28 multi‐cation membrane showed a hydroxide conductivity of 70.52 mS cm−1 at 80°C, which was nearly two times higher than that of the PPO‐TMA‐28 single‐cation membrane (36.74 mS cm−1). Compared with PPO‐TMA‐28 (56.76% decrease), the hydroxide conductivity of PPO‐AMP‐28 merely decreased by 23.15% after soaked in 1 M KOH at 80°C for 500 h. Additionally, the PPO‐AMP‐X membranes displayed moderate mechanical properties and good thermal stabilities, which can meet the basic requirements for use in fuel cells. This study provides a facile method for preparing AAEMs with multi‐cation side chain containing piperidinium group.
Cellulose acetate‐based separators prepared by a reversible acetylation process for high‐performance lithium‐ion batteries
Authors: Xu Pengcheng , Zhang Dalun , Shao Ziqiang , Chen Dejia 
Published: March 2021

AbstractLithium‐ion batteries (LIBs) are one of the most widely used technologies for various applications. However, polyolefin separators can hardly meet the needs of the development of LIBs due to the poor heat shrinkage and bad wettability with the electrolyte. Herein, a cellulose acetate (CA)‐based separator is developed by blending with cellulose nanocrystals (CNCs) using a simple reversible acetylation process. This separator exhibits inherent thermal stability and improved ionic conductivity due to the finger‐like and sponge‐like porous structure. Moreover, the discharge capacity of the separator with a CNC loading of 3% remains at 132.9 mA h g−1 when the rate reverts to 0.2 C and the capacity retention reaches 89.5% after 50 cycles. Therefore, the obtained CA‐based separators can be a competitive candidate for high‐performance LIBs and point the way to sustainable development.
Are there life‐history constraints on restoration of the endangered limpet Patella ferruginea (Mollusca, Gastropoda) in the northern Mediterranean Sea?
Authors: Ferranti Maria Paola , Guallart Javier , Cortella Virginia , Terenziani Giacomo , Chiantore Mariachiara 
Published: March 2021

Abstract

Effectiveness of restoration/repopulation measures may be strongly hindered by the ability of the target species to cope with the environmental conditions of the receiving area.
Although a species has been reported previously for a given area, the environmental conditions and human pressures may have changed, potentially making any restoration attempt ineffective. Evidence is provided showing that the endangered ferruginous limpet Patella ferruginea can complete its reproductive cycle in the northernmost sector of the western Mediterranean.
This supports the idea that the reintroduction and the strict protection of P. ferruginea in the extreme north of its historical geographic range could be effective for the recovery of the species in this area and ultimately the establishment of reproductively viable and stable populations.
Verification of gonadal maturation of specimens experimentally established on the Gulf of Genoa (Ligurian Sea) coastline, as well as evidence of sex change in one individual (the first outside the Alboran Sea), provides further support of the potential for individuals to complete their reproductive cycle in this area.
The results support the potential of actions for the restoration of viable populations of the species along the Ligurian coasts through the introduction of juveniles obtained exclusively by aquaculture techniques, in order to mitigate any impact on donor sites.
Exploration of the cortical pathophysiology underlying visual disturbances in schizophrenia comorbid with depressive disorder—An evidence from mouse model
Authors: Liu Jian , Zheng Lidan , Fang Tao , Li Ranli , Ma Xiaoyan , Sun Yun , Wang Lina , Tian Hongjun , Jiang Deguo , Zhuo Chuanjun 
Published: March 2021

AbstractIntroductionPatients with schizophrenia frequently present with visual disturbances including hallucination, and this symptom is particularly prevalent in individuals with comorbid depressive disorders. Currently, little is known about the neurobiological mechanisms of such psychiatric symptoms, and few explanations for the co‐occurrence of schizophrenia, depression, and visual disturbances are available.MethodsIn this study, we generated a mouse schizophrenia model in which depressive symptoms were also induced. We adopted in vivo two‐photon calcium imaging and ex vivo electrophysiological recording of the primary visual cortex to reveal the synaptic transmission and neural activity in the mouse schizophrenia model.ResultsIn vivo two‐photon calcium imaging and ex vivo electrophysiological recording of the primary visual cortex revealed impaired synaptic transmission and abnormal neural activity in the schizophrenia model, but not in the depression model. These functional deficits were most prominent in the combined schizophrenia and depression model.ConclusionOverall, our data support a mechanism by which the visual cortex plays a role in visual disturbances in schizophrenia.
Indwelling urinary catheter assembled with lidocaine‐loaded polymeric strand for local sustained alleviation of bladder discomfort
Authors: Kim Cho Rim , Jang Eun Bi , Hong Seong Hwi , Yoon Young Eun , Huh Beom Kang , Kim Se Na , Kim Min Ji , Moon Hong Sang , Choy Young Bin 
Published: March 2021

AbstractIndwelling urinary catheters (IUCs) are used in clinical settings to assist detrusor contraction in hospitalized patients. However, an inserted IUC often causes catheter‐related bladder discomfort. To resolve this, we propose an IUC coupled with local, sustained release of an anesthetic drug, lidocaine. For this, a thin strand composed of poly (lactic‐co‐glycolic acid) and lidocaine was separately prepared as a drug delivery carrier, which was then wound around the surface of the IUC to produce the drug‐delivery IUC. Our results revealed that the drug‐delivery IUC could exert the pain‐relief effects for up to 7 days when placed in the bladder of living rats. Cystometrogram tests indicated that the drug‐delivery IUC could significantly relieve bladder discomfort compared with the IUC without lidocaine. Furthermore, the expression of pain‐related inflammatory markers, such as nerve growth factor, cyclooxygenase‐2, and interleukin‐6 in the biopsied bladder tissues was significantly lower when the drug‐delivery IUC was used. Therefore, we conclude that an IUC simply assembled with a drug‐loaded polymer strand can continuously release lidocaine to allow for the relief of bladder discomfort during the period of IUC insertion.
Exosomes‐mediated transfer of long noncoding RNA LINC01133 represses bladder cancer progression via regulating the Wnt signaling pathway
Authors: Yang Hongjie , Qu Hongchen , Huang Haibo , Mu Zhongyi , Mao Minghuan , Xie Qingpeng , Wang Kai , Hu Bin 
Published: March 2021

AbstractBladder cancer (BC), as one of the most common malignant cancers of the urinary system, has a high incidence and mortality rates. Recently, increasing studies have indicated that exosomes can mediate cellular communication in assorted cancers, including BC. Long noncoding RNAs (lncRNAs) have also been confirmed to take part in the regulation of many cancers. Long intergenic non‐protein coding RNA 1133 (LINC01133) is an lncRNA and its roles in several cancers have been revealed. However, the functions of exosomes and LINC01133 in BC are still not elucidated. In our research, functional assays were conducted to evaluate the function of LINC01133, as well as the influence of exosomes and LINC01133 on BC cells. Western blot assay, immunofluorescence assay, electron microscope, and nanoparticle tracking analysis were applied for detecting the characteristics of exosomes. Bioinformatics tools and quantitative reverse‐transcription polymerase chain reaction were performed to test the expression of LINC01133 in BC cells and exosomes of the immortalized human uroepithelial cell line (SV‐HUC‐1). Luciferase reporter assay was performed to measure the activity of the Wnt pathway. We discovered that LINC01133 expression was high in exosomes of SV‐HUC‐1 and low in that of BC cells. Additionally, exosomes restrained cell viability, proliferation, migration, and invasion. Similarly, LINC01133 exerted the same function on BC cells. In addition, the Wnt signaling pathway could be inactivated by LINC01133. Finally, in vivo experiments demonstrated that cell growth could be suppressed by overexpressed LINC01133. In short, exosomes‐mediated transfer of lncRNA LINC01133 repressed BC progression via regulating the Wnt signaling pathway.
Chlorella minutissima grown with xylose and arabinose in tubular photobioreactors: Evaluation of kinetics, carbohydrate production, and protein profile
Authors: Freitas Bárbara C. B. , Morais Michele G. , Costa Jorge A. V. 
Published: March 2021

AbstractLignocellulosic waste is the most abundant global renewable biomass source and contains significant amounts of pentoses. Thus, pentoses can be considered potential carbon sources for the culture media for microalgae cultivation. The present study aimed to determine whether the addition of D‐xylose and L‐arabinose and lighting variations influence the carbohydrate and protein profiles of Chlorella minutissima grown in tubular photobioreactors. The highest biomass concentration of 1.55 g L−1 was attained by the control cultures exposed to a light intensity of 40.50 μmol m−2 s−1. The highest carbohydrate accumulation (66.4%) was obtained through the combined use of 40.50 μmol m−2 s−1 light intensity, 19.16 mg L−1 D‐xylose, 0.89 mg L−1 L‐arabinose, and 0.125 g L−1 KNO3. A reduction in luminosity and the addition of pentoses altered the protein profile of Chlorella minutissima. Thus, growth and carbohydrate production can be stimulated by pentoses and adequate luminous intensity. Therefore, Chlorella minutissima can be considered a potential source of biomass for bioethanol production.
Seeding depth effects on elongation, emergence, and early development of California rice cultivars
Authors: Ceseski Alex R. , Al‐Khatib Kassim 
Published: March 2021

AbstractThe continuous use of a water‐seeded cropping system for California rice (Oryza sativa L.), along with a limited palette of available herbicides, have selected for flood‐tolerant grasses, aquatic species, and herbicide‐resistant weed populations throughout the region. Alternative cropping methods such as stale‐seedbed and deeper drill seeding may be combined to allow novel herbicide modes of action and combat resistance while providing economically competitive yields. Two experiments were conducted to evaluate rice cultivars for vigorous traits that would facilitate such a stale‐drill cropping methodology. Four cultivars of California rice were grown in glasshouses and evaluated for differences in germination, elongation, emergence, and early season morphology. Cultivars M‐205 and M‐209 were found to have greater rates of total below‐soil elongation, and greater rates of mesocotyl and coleoptile elongation overall, across depths. M‐205 and M‐209 were also found to have higher rates of emergence across depths. Differences in aboveground growth parameters of emerged seedlings were only found at 0‐, 6.4‐, and 7.6‐cm planting depths. Based on observed below‐ and above‐soil growth and development, M‐205 and M‐209 exhibited greater vigor overall, as well as high levels of emergence from depths greater than 2 cm. Therefore, these cultivars should be suitable for stale‐drill seeding as a strategy for managing herbicide resistance in California.
Sex differences in CSF biomarkers for neurodegeneration and blood‐brain barrier integrity
Authors: Skillbäck Tobias , Blennow Kaj , Zetterberg Henrik , Shams Sara , Machado Alejandra , Pereira Joana , Lindberg Olof , Mielke Michelle M. , Zettergren Anna , Ryden Lina , Westman Eric , Wahlund Lars‐Olof , Skoog Ingmar , Kern Silke 
Published: March 2021

AbstractIntroductionAs cerebrospinal fluid (CSF) neurofilament light protein (NfL) and the CSF/serum albumin ratio (QAlb) are used in the clinical routine, the impact of demographic factors on these biomarkers is important to understand.MethodsParticipants were derived from two Swedish samples: the population‐based H70 Study (n = 308, age 70) and a clinical routine cohort (CSF NfL, n = 8995, QAlb, n = 39252, age 0 to 95). In the population‐based study, QAlb and NfL were examined in relation to sex, cardiovascular risk factors, and cerebral white matter lesions (WMLs). In the clinical cohort, QAlb and NfL sex differences were tested in relation to age.ResultsMen had higher QAlb and NfL concentrations and had higher QAlb and NfL concentrations from adolescence throughout life. NfL was not related to WML, but QAlb correlated positively with WMLs.DiscussionThe CSF NfL sex difference could not be explained by vascular pathology. Future studies should consider using different reference limits for men and women.