bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent Progress of Nanogenerators Acting as Self‐Powered Drug Delivery Devices
Authors: Zhao Chaochao , Cui Xi , Wu Yuxiang , Li Zhou 
Published: February 2021

AbstractSelf‐powered technology based on nanogenerators (NGs) has developed rapidly since the invention of NGs. This technology can transform mechanical energy into electrical energy and be applied to self‐powered healthcare systems. Meanwhile, after the development of five generations, drug dosage forms have entered the era of pulsed drug delivery system (DDS), which promotes the application of NGs in self‐powered DDS. This review first reviews the type, working principle, materials, and structure strategy of NGs. Next, frontier applications of NGs as drug delivery devices (DDDs), in combination with membrane, microneedle, electrochemistry, microfluidics, and electroporation techniques, are introduced. Then the challenges of NG technology applied for clinical treatment and research are discussed. In the future, NG may become the key technology for drug controlled release, which can realize precise drug delivery and clinical disease therapy.
Mechanistic Insight into Charge and Energy Transfers of Luminescent Metal–Organic Frameworks Based Sensors for Toxic Chemicals
Authors: Mohan Brij , Kumar Sandeep , Ma Shixuan , You Hengzhi , Ren Peng 
Published: February 2021

AbstractMechanistic studies of materials able to detect hazardous and toxic chemicals, such as common organic solvents, pesticides, and nitroaromatic compounds (NACs), are critically important owing to the threat they pose to humans and the environment. Recently, porous luminescent metal–organic frameworks (MOFs) with multifunctional sites, high surface areas, and structural tunability have emerged as sensory devices for the detection of hazardous and toxic chemicals. Herein, recent progress regarding the mechanistic behavior of MOF sensors in the detection of common organic solvents, pesticides, and NACs using luminescence signal changes is presented. This review focuses on the origins of charge and charge‐energy transfer in different MOFs, ligands and metal centers, modes of interaction, common mechanisms, and limits of detection of MOF sensors for toxic analyte detection. These studies indicate the remaining challenges and directions for future research.
Nb2O5‐Based Photocatalysts
Authors: Su Kaiyi , Liu Huifang , Gao Zhuyan , Fornasiero Paolo , Wang Feng 
Published: February 2021

AbstractPhotocatalysis is one potential solution to the energy and environmental crisis and greatly relies on the development of the catalysts. Niobium pentoxide (Nb2O5), a typically nontoxic metal oxide, is eco‐friendly and exhibits strong oxidation ability, and has attracted considerable attention from researchers. Furthermore, unique Lewis acid sites (LASs) and Brønsted acid sites (BASs) are observed on Nb2O5 prepared by different methods. Herein, the recent advances in the synthesis and application of Nb2O5‐based photocatalysts, including the pure Nb2O5, doped Nb2O5, metal species supported on Nb2O5, and other composited Nb2O5 catalysts, are summarized. An overview is provided for the role of size and crystalline phase, unsaturated Nb sites and oxygen vacancies, LASs and BASs, dopants and surface metal species, and heterojunction structure on the Nb2O5‐based catalysts in photocatalysis. Finally, the challenges are also presented, which are possibly overcome by integrating the synthetic methodology, developing novel photoelectric characterization techniques, and a profound understanding of the local structure of Nb2O5.
Interface Design for Stretchable Electronic Devices
Authors: Kim Dong Wook , Kong Minsik , Jeong Unyong 
Published: February 2021

AbstractStretchable electronics has emerged over the past decade and is now expected to bring form factor‐free innovation in the next‐generation electronic devices. Stretchable devices have evolved with the synthesis of new soft materials and new device architectures that require significant deformability while maintaining the high device performance of the conventional rigid devices. As the mismatch in the mechanical stiffness between materials, layers, and device units is the major challenge for stretchable electronics, interface control in varying scales determines the device characteristics and the level of stretchability. This article reviews the recent advances in interface control for stretchable electronic devices. It summarizes the design principles and covers the representative approaches for solving the technological issues related to interfaces at different scales: i) nano‐ and microscale interfaces between materials, ii) mesoscale interfaces between layers or microstructures, and iii) macroscale interfaces between unit devices, substrates, or electrical connections. The last section discusses the current issues and future challenges of the interfaces for stretchable devices.
15.3% Efficiency All‐Small‐Molecule Organic Solar Cells Achieved by a Locally Asymmetric F, Cl Disubstitution Strategy
Authors: Hu Dingqin , Yang Qianguang , Zheng Yujie , Tang Hua , Chung Sein , Singh Ranbir , Lv Jie , Fu Jiehao , Kan Zhipeng , Qin Bo , Chen Qianqian , Liao Zhihui , Chen Haiyan , Xiao Zeyun , Sun Kuan , Lu Shirong 
Published: February 2021

AbstractSingle junction binary all‐small‐molecule (ASM) organic solar cells (OSCs) with power conversion efficiency (PCE) beyond 14% are achieved by using non‐fullerene acceptor Y6 as the electron acceptor, but still lag behind that of polymer OSCs. Herein, an asymmetric Y6‐like acceptor, BTP‐FCl‐FCl, is designed and synthesized to match the recently reported high performance small molecule donor BTR‐Cl, and a record efficiency of 15.3% for single‐junction binary ASM OSCs is achieved. BTP‐FCl‐FCl features a F,Cl disubstitution on the same end group affording locally asymmetric structures, and so has a lower total dipole moment, larger average electronic static potential, and lower distribution disorder than those of the globally asymmetric isomer BTP‐2F‐2Cl, resulting in improved charge generation and extraction. In addition, BTP‐FCl‐FCl based active layer presents more favorable domain size and finer phase separation contributing to the faster charge extraction, longer charge carrier lifetime, and much lower recombination rate. Therefore, compared with BTP‐2F‐2Cl, BTP‐FCl‐FCl based devices provide better performance with FF enhanced from 71.41% to 75.36% and Jsc increased from 22.35 to 24.58 mA cm−2, leading to a higher PCE of 15.3%. The locally asymmetric F, Cl disubstitution on the same end group is a new strategy to achieve high performance ASM OSCs.
2D Materials Bridging Experiments and Computations for Electro/Photocatalysis
Authors: Zhang Xu , Chen An , Chen Letian , Zhou Zhen 
Published: February 2021

AbstractThe exploration of catalysts for energy conversion lies at the center of sustainable development. The combination of experimental and computational approaches can provide insights into the inner laws between the catalytic performance and the structural and electronic properties of catalysts. Owing to the inherent advantages of 2D materials over their 3D counterparts, including high specific surface area and abundant surface defects that could provide sufficient active sites, 2D materials are promising candidates and have attracted wide interest in catalysis. Importantly, 2D materials are the most widely computationally investigated models with which to relate computational prediction with experimental confirmation conveniently. Recently, more 2D catalysts have been prepared in experiments while more accurate computational methods have been used to disclose catalytic performance, and explore the mechanism at an atomic level. In this review, recent advances are summarized related to the development and design of 2D electro/photocatalysts. The main emphasis is put on the unique properties of 2D catalysts investigated by the combination of experiments and computations. Computational methods closer to experimental environments are introduced with particular attention to bridge the gap between experiments and computations. In addition, the challenges of computations and experiments are also discussed for 2D catalysts.
Initial return to work and long‐term employment patterns: Associations with work‐related permanent impairment and with participation in workers' compensation‐based return‐to‐work programs
Authors: Sears Jeanne M. , Fulton‐Kehoe Deborah , Hogg‐Johnson Sheilah 
Published: February 2021

AbstractBackgroundRoughly 10% of injured workers experience work injuries that result in permanent impairment and a permanent partial disability (PPD) award. This study aimed to characterize and quantify long‐term employment outcomes for injured workers, by the degree of whole body impairment (WBI) and by participation in several workers' compensation (WC)‐based return‐to‐work (RTW) programs.MethodsA retrospective cohort of 43,968 Washington State workers were followed for up to 10 years after WC claim closure (2009–2017). Degree of impairment was classified as: (1) no PPD award, (2) PPD award with WBI < 10%, or (3) PPD award with WBI ≥ 10%. State wage files were used to construct employment outcomes for regression, modeling: (1) time to first RTW, (2) time to first RTW interruption, (3) RTW volatility, and (4) employment gaps.ResultsWage patterns and employment outcomes differed significantly by the degree of impairment. Compared to other workers, workers with WBI ≥ 10% had delayed RTW, shorter average times to first RTW interruption, and higher rates of both RTW interruptions and quarters without wages. Time to first RTW averaged over a year, increasing with the degree of impairment. About 9% overall—and 27% of workers with ≥10% WBI—had no observed wages after claim closure. In adjusted models, workers with WBI ≥ 10% had significantly poorer employment outcomes, compared to workers with no PPD award (p < 0.001).ConclusionsState wage files provide an efficient approach to identifying RTW patterns. Workers with permanent impairment were at substantially higher risk of poor employment outcomes. WC‐based RTW programs may promote better employment outcomes.
Workers' compensation costs for healthcare caregivers: Home healthcare, long‐term care, and hospital nurses and nursing aides
Authors: Davis Kermit G. , Freeman Andrew M. , Ying Jun , Huth Jeffrey R. 
Published: February 2021

AbstractBackground: Healthcare workers (nurses and nursing aides) often have different exposures and injury risk factors depending on their occupational subsector and location (hospital, long‐term care, or home health care).Methods: A total of 5234 compensation claims for nurses and nursing aides who suffered injuries to their lower back, knee, and/or shoulder over a 5‐year period were obtained from the Ohio Bureau of Workers' Compensation and analyzed. Injury causation data was also collected for each claim. The outcome variables included indemnity costs, medical costs, total costs, and the number of lost work days. The highest prescribed morphine equivalent dose for opioid medications was also calculated for each claim.Results: Home healthcare nurses and nursing aides had the highest average total costs per claim. Hospital nurses and nursing aides had the highest total claim costs, of $5 million/year. Shoulder injuries for home healthcare nursing aides (HHNAs) had the highest average total claim costs ($20,600/injury) for all occupation, setting, and body area combinations. Opioids were most frequently prescribed for home healthcare nurses (HHNs) and nursing aides (18.9% and 17.7% having been prescribed opioids, respectively). Overexertion was the most common cause for HHN and nursing aide claims.Conclusions: With the rapidly expanding workforce in the home healthcare sector, there is a potential health crisis from the continued expansion of home healthcare worker injuries and their associated costs. In addition, the potential for opioid drug usage places these workers at risk for future dependence, overdose, and prolonged disability. Future research is needed to investigate the specific and ideally reversible causes of injury in claims categorized as caused by overexertion.
Clinical phenotype and management of individuals with mosaic monosomy X with Y chromosome material stratified by genital phenotype
Authors: Guzewicz Lindsey , Howell Susan , Crerand Canice E. , Umbaugh Hailey , Nokoff Natalie J. , Barker Jennifer , Davis Shanlee M. 
Published: February 2021

AbstractIndividuals mosaic for monosomy X and a cell line with Y chromosome material can have genitalia that appear phenotypical female, male, or ambiguous. Those with this karyotype and typical female genitalia are diagnosed with Turner syndrome; however, this definition specifically excludes those with genitalia other than typical female. There is limited information on whether medical and neurodevelopmental risks are similar among individuals with monosomy X and Y chromosome material across genital phenotypes. This multicenter retrospective study compared comorbidities and clinical management in individuals with monosomy X and Y material and male/ambiguous genitalia to those with typical female genitalia. Electronic medical records for all patients with monosomy X and Y material (n = 76) at two large U.S. pediatric centers were abstracted for predetermined data and outcomes. Logistic regression was used to compare the two phenotypic groups adjusting for site and duration of follow‐up. The male/ambiguous genitalia group was just as likely to have congenital heart disease (RR 1.0, 95%CI [0.5–1.9]), autoimmune disease (RR 0.6 [0.2–1.3]), and neurodevelopmental disorders (RR 1.4 [0.8–1.2]) as those with female genitalia. Despite similar risks, they were less likely to receive screening and counseling. In conclusion, individuals with monosomy X and Y chromosome material have similar medical and neurodevelopmental risks relative to individuals with Turner syndrome regardless of genitalia, but there are notable differences in clinical management.
Nachweis des Lewis‐amphoteren Charakters von Tris(pentafluorethyl)silanid, [Si(C2F5)3]−
Authors: Tiessen Natalia , Keßler Mira , Neumann Beate , Stammler Hans‐Georg , Hoge Berthold 
Published: February 2021

AbstractBei Betrachtung der geometrischen und elektronischen Struktur des Tris(pentafluorethyl)silanids erscheint das Anion auf den ersten Blick als Lewis‐Base. Quantenmechanischen Rechnungen zufolge liegen die HOMO‐ und LUMO‐Energien von Perfluoralkylsilaniden deutlich niedriger als die nicht fluorierter Derivate. Dies hat eine geringere Lewis‐Basizität und zugleich eine erhöhte Lewis‐Acidität des [Si(C2F5)3]−‐Ions zur Folge. Mit diesen Erkenntnissen und einer der N‐heterocyclischen Silylenen (NHSis) ähnlichen HOMO‐LUMO‐Lücke von 4.80 eV sind Perfluoralkylsilanide dazu prädestiniert, Lewis‐amphoteres Verhalten ähnlich dem der Silylene aufzuweisen. Die Deprotonierung von Si(C2F5)3H mit sterisch anspruchsvollen Phosphazenbasen liefert thermisch stabile Phosphazenium‐Salze des [Si(C2F5)3]−‐Anions, welche in unterschiedlicher Weise an Benzaldehyd, Benzophenon, CS2 und CO2 addieren. Dieses Verhalten spiegelt die Reaktivität von Silylenen gegenüber Ketonen sowie Heterocumulenen wider und wird durch die Lewis‐Amphoterie des Silanids begründet.
Fettsäuren und Fettsäurederivate als nachwachsende Plattformmoleküle für die chemische Industrie
Authors: Biermann Ursula , Bornscheuer Uwe T. , Feussner Ivo , Meier Michael A. R. , Metzger Jürgen O. 
Published: February 2021

AbstractPflanzliche und tierische Öle und Fette bleiben ein wichtiger nachwachsender Rohstoff der chemischen Industrie. Ihre industrielle Nutzung hat sich in den letzten 10 Jahren von 31 auf 51 Millionen Tonnen pro Jahr erhöht. Dieser Aufsatz fasst die bedeutenden Fortschritte zusammen, die in dieser Zeit in der Oleochemie erzielt wurden, beispielsweise die Reduktion von Fettsäureestern zu Ethern, die selektive Oxidation und oxidative Spaltung von C‐C‐Doppelbindungen, die Synthese von alkylverzweigten Fettstoffen, die isomerisierende Hydroformylierung und Alkoxycarbonylierung sowie die Olefinmetathese. Auch die Nutzung von fettsäurebasierten Chemikalien in der Synthese einer Vielzahl polymerer Materialien hat stark zugenommen. Zusätzlich zu Lipasen und Phospholipasen haben mittlerweile viele weitere Enzyme in der biokatalytischen Fettchemie Anwendung gefunden. Wichtige Entwicklungen haben außerdem neue Eigenschaften bei den Ölen bestehender Nutzpflanzen hervorgebracht, was alternativ auch durch die Verwendung von metabolisch optimierten Mikroorganismen möglich ist.
Multinuclear Ag Clusters Sandwiched by Pt Complex Units: Fluxional Behavior and Chiral‐at‐Cluster Photoluminescence
Authors: Horiuchi Shinnosuke , Moon Sangjoon , Ito Akitaka , Tessarolo Jacopo , Sakuda Eri , Arikawa Yasuhiro , Clever Guido H. , Umakoshi Keisuke 
Published: February 2021

AbstractMultinuclear Ag clusters sandwiched by Pt complex units were synthesized and characterized by single crystal X‐ray diffraction and NMR studies. The sandwich‐shaped multinuclear Ag complexes showed two different types of fluxional behavior in solution: rapid slippage of Pt complex units on the Ag3 core and a reversible demetalation–metalation reaction by the treatment with Cl anion and Ag ion, respectively. The Ag2 complex obtained by demetalation reaction from the Ag3 complex displayed U to Z isomerization. These multinuclear Ag complexes showed strong photoluminescence whose properties depended on the existence of Pt→Ag dative bonds. The Ag3 complex, identified to be “chiral‐at‐cluster”, was optically resolved by the formation of a diastereomeric salt with a chiral anion. The enantiomers show circular dichroism (CD) and circularly polarized luminescence (CPL) properties which is unprecedented for compounds based on a chiral sandwich structure. Theoretical calculations allow to understand their structural features and photophysical properties.
Evidence of the Lewis‐Amphoteric Character of Tris(pentafluoroethyl)silanide, [Si(C2F5)3]−
Authors: Tiessen Natalia , Keßler Mira , Neumann Beate , Stammler Hans‐Georg , Hoge Berthold 
Published: February 2021

AbstractAccording to a first view on the geometrical and electronic structure of the tris(pentafluoroethyl)silanide, this anion appears as a Lewis base. Quantum chemical calculations on perfluoroalkylated silanides show significantly lower HOMO and LUMO energy levels in comparison to their non‐fluorinated counterparts, which implies reduced Lewis basicity and increased Lewis acidity of the [Si(C2F5)3]− ion. With these findings and a HOMO–LUMO gap of 4.80 eV similar to N‐heterocyclic silylenes (NHSis), perfluoroalkyl silanides are predestined to exhibit Lewis‐amphoteric character similar to silylenes. Deprotonation of Si(C2F5)3H with sterically demanding phosphazene bases afforded thermally stable phosphazenium salts of the [Si(C2F5)3]− anion, which add to benzaldehyde, benzophenone, CS2, and CO2 in various manners. This behavior also mirrors the reactivity of silylenes towards ketones as well as heterocumulenes and is rationalized by Lewis amphotericity being inherent in these silanides.
Correlating the Speed of Sound with the Gibbs Energy and Estimating the Speed of Sound in Fatty Acid Methyl Ester and Biodiesel
Authors: Cheewaphan Apinya , Chuensumran Ubol , Phankosol Suriya , Aryusuk Kornkanok , Lilitchan Supathra , Krisnangkura Kanit 
Published: February 2021

AbstractThe relationship between the speed of sound (u) in biodiesel and the change in Gibbs energy (ΔG) has not been described in the literature. With the Gibbs energy additivity method, the relationship between u and ΔG can be expressed as ln(u2) = ΔG/RT + A, where R is the universal gas constant, T is the absolute temperature, and A is a constant. The molecule of fatty acid methyl ester (FAME) was arbitrarily sub‐divided into groups of atoms and a ΔG was assigned to each group of atoms. A new model correlating the speed of sound to the structure of fatty acid was derived. The proposed model was good for estimation of the speed of sound in both FAME and biodiesel at various temperatures with good accuracy. The absolute average deviations for the speed of sound in FAME (65 data points) and in biodiesel (175 data points) were 0.23% and 0.36%, respectively. Only the number of double bonds and carbon atoms of the fatty acid are required for the calculation.
Synthesis and physicochemical investigation of imide‐functionalized silica nanocomposites
Authors: Ali Nisar , Ali Farman , Saeed Shaukat , Said Amir , Sheikh Zeshan Ali , Salman Syed Muhammad , Bilal Muhammad 
Published: February 2021

AbstractThe incorporation of inorganic nanoparticles into polymers have gained significant attention to improving functional properties. The ultimate nanocomposite behaviors are influenced by many parameters, such as microstructural distribution that are produced during the treatment process. Herein, a hybrid material integrating a modified network into a polyimide PI matrix was produced via the sol–gel method by the reaction of pyromellitic dianhydride, 4, 4‐oxydianaline, and 1, 5‐diaminonaphthalene to synthesize copolyimides nanocomposite. The modified polyimide and unmodified polyimide silica (SiO2) nanoparticles were incorporated in the polyimide matrix to have polyimide silica nanocomposite. In modified silica nanoparticles, 3‐aminopropyltriethosilane was introduced to have better compatibility among inorganic–organic hybrid with similar chemical contact due to their flexible alkyl group. The surface morphology or structure of silica and polyimide was affirmed by scanning electron microscopy, Fourier transforms infrared spectroscopy confirmed the synthesis of pure polyimide, unmodified polyimide, and modified polyimide silica via presence and absence of certain peaks. Thermogravimetric analysis (TGA) results showed high thermal stability of nanocomposites as silica content increases. In contrast to unmodified silica, the modified silica provides more thermal stability to the nanocomposites. Dynamic mechanical analysis was used to investigate the tensile stress of pure polyimide, unmodified, and modified silica nanocomposites. Thermal stability, storage modulus, and moisture absorption of these hybrid materials were improved with silica nanoparticles. The TG mass spectrum confirms the successful synthesis of modified silica networks. The substituted silica nanoparticles show higher mechanical toughness and storage in modified compared to unmodified silica nanocomposite, which exhibits stronger binding attraction between silica nanoparticles and polyimide matrix.
Weakening macroalgal feedbacks through shading on degraded coral reefs
Authors: Dajka Jan‐Claas , Beasley Victoria , Gendron Gilberte , Barlow Jos , Graham Nicholas A.J. 
Published: February 2021

Abstract

Extensive and dense macroalgal fields can compromise the ecosystem function of habitat mosaics on reefs owing to their limiting effect on patch connectivity. Macroalgae can maintain and increase their dominance with effective self‐reinforcing feedback mechanisms. For example, macroalgae can form dense beds, supressing coral settlement and grazing by herbivores. This compromised ecosystem function can lead to major socioeconomic and ecological changes.
Dense macroalgal beds were shaded with submerged shade sails of two sizes and changes to the underlying benthos and feeding rates of herbivorous fishes were recorded. The shade sails reduced the algae's ability to photosynthesize by 29%. After 6 weeks, macroalgal cover was reduced by 24% under small sails and by 51% under large sails. Small shade sails reduced turf algal growth by 23%, while large sails reduced growth by 82%.
Three months after removal of the shade sails, algal beds had almost completely regrown. During this regrowth period, herbivore bites taken from the experiment's substrates were recorded, with grazing impact reducing significantly with time.
This study is the first to achieve macroalgal reduction via the alteration of the light regime. While macroalgae regrew in this relatively short‐term experiment, shading may be a viable reef management approach that aims to maximize habitat mosaics on coral reefs, particularly if used in combination with other intervention methods.