bluuebunny/crossref_metadata_2025 huggingface dataset:
Leukocyte Telomere Length and Childhood Onset of Systemic Lupus Erythematosus in the Black Women's Experiences Living with Lupus Study
Authors: Bridges John , Chung Kara W. , Martz Connor D. , Smitherman Emily A. , Drenkard Cristina , Wu Calvin , Lin Jue , Lim S. Sam , Chae David H.
Published: February 2022

Objective

The study objective was to compare leukocyte telomere length (LTL) among patients with systemic lupus erythematosus (SLE) diagnosed in childhood versus adulthood.

Methods

Data are from the Black Women's Experiences Living with Lupus (BeWELL) study. Multivariable linear regression analyses that examined childhood diagnosis of SLE (diagnosed before 18 years of age), age, and their interaction in relationship to LTL were conducted, adjusting for a range of demographic, socioeconomic, and health‐related covariates.

Results

The total analytic sample size was 415. Forty participants (9.6%) were diagnosed in childhood. There was no main effect of childhood diagnosis on LTL (b = 0.007; 95% confidence interval [CI]: −0.089 to 0.103). However, the interaction between age and childhood diagnosis was significant (b = −0.008; 95% CI: −0.016 to −0.001), indicating a steeper inverse association between age and LTL among those diagnosed in childhood compared with those diagnosed in adulthood. This interaction remained statistically significant (P = 0.024) after controlling for disease duration measured dichotomously (less than 10 years vs. 10 years or more); it was marginally significant (P = 0.083) when controlling for disease duration measured continuously.

Conclusion

This cross‐sectional analysis suggests that Black women with childhood‐onset SLE may undergo accelerated LTL shortening compared with their adult‐onset counterparts. This relationship persisted even after controlling for differences in SLE damage and disease duration. These findings inform research on immunosenescence mechanisms of SLE.
Development of birthweight and length for gestational age and sex references in Yucatan, Mexico
Authors: Azcorra Hugo , Dickinson Federico , Mendez‐Dominguez Nina , Mumm Rebekka , Valentín Graciela
Published: February 2022

Objective

To develop sex‐ and gestational age specific reference percentiles and curves for birth weight and length for Yucatec neonates using data from birth registers of infants born during 2015–2019.

Material and methods

Observational, descriptive, epidemiologic study in a 5‐year period including every registered birth in the state of Yucatan, Mexico using birth registries. A total of 158 432 live, physically healthy singletons (76 442 females and 81 990 males) between 25 and 42 weeks of gestation were included in the analysis. We used the LMS method to construct smoothed reference centiles (3rd, 10th, 25th, 50th, 75th, 95th, and 97th) and curves for males and females separately.

Results

Mean maternal age was 26 (SD = 6.22) years. Fifty‐two percent of births occurred by vaginal delivery, 37% were firstborn and similar proportions were second (33%) and third or more (30%) born. 5.5% of newborns included in the references corresponds to neonates born before 37 weeks of gestation (5.9% boys and 5.1% girls). In both sexes, the percentage of infants with a birthweight less than 2500 g was 6.7%. The birthweight at the 50th percentile for males and females at 40 weeks of gestation in this cohort was 3256 and 3167 g, respectively, and the corresponding values for birth length were 50.23 and 49.84 cm (mean differences between sexes: 89 g and 0.40 cm, respectively).

Conclusion

The reference percentile and curves developed in this study are useful for research purposes and can help health practitioners to assess the biological status of infants born in Yucatán.
Morphology‐Dependent Bioadhesion and Bioelimination of Hyaluronan Particles Administered in the Bladder
Authors: Diaz-Salmeron Raul , Toussaint Balthazar , Cailleau Catherine , Ponchel Gilles , Bouchemal Kawthar
Published: February 2022

Intravesical instillation allows for direct exposure of the urothelium to a drug. However, the therapeutic efficacy is often limited by the rapid elimination of the drug from the bladder. In this investigation, it is hypothesized that the morphology of nanoparticulate drug delivery systems could significantly impact bioadhesion and bioelimination from the bladder. Bioadhesion kinetics evaluated ex vivo on rat bladder mucosa demonstrates that particles with a flattened morphology, denoted as nanoplatelets, are rapidly attached to the mucosa at a lower concentration than nanospheres. The two particles have comparable surface potentials and equivalent volumes and are composed of hyaluronan, a nonsulfated polysaccharide that plays a significant role in restoring the bladder glycosaminoglycan layer. The bioaccumulation and bioelimination studied in vivo reveal that the nanoplatelets are eliminated from the rat bladders less rapidly than nanospheres. This investigation suggests that the bioadhesion of HA could be improved by optimizing particle morphology, opening new opportunities for the treatment of local urothelial diseases, such as interstitial cystitis/painful bladder syndrome, by restoring the loss of the glycosaminoglycan layer.
Thermo‐Osmotic Energy Conversion Enabled by Covalent‐Organic‐Framework Membranes with Record Output Power Density
Authors: Zuo Xiuhui , Zhu Changjia , Xian Weipeng , Meng Qing‐Wei , Guo Qing , Zhu Xincheng , Wang Sai , Wang Yeqing , Ma Shengqian , Sun Qi
Published: February 2022

A vast amount of energy can be extracted from the untapped low‐grade heat from sources below 100 °C and the Gibbs free energy from salinity gradients. Therefore, a process for simultaneous and direct conversion of these energies into electricity using permselective membranes was developed in this study. These membranes screen charges of ion flux driven by the combined salinity and temperature gradients to achieve thermo‐osmotic energy conversion. Increasing the charge density in the pore channels enhanced the permselectivity and ion conductance, leading to a larger osmotic voltage and current. A 14‐fold increase in power density was achieved by adjusting the ionic site population of covalent organic framework (COF) membranes. The optimal COF membrane was operated under simulated estuary conditions at a temperature difference of 60 K, which yielded a power density of ≈231 W m−2, placing it among the best performing upscaled membranes. The developed system can pave the way to the utilization of the enormous supply of untapped osmotic power and low‐grade heat energy, indicating the tremendous potential of using COF membranes for energy conversion applications.
Exceptional Selectivity to Olefins in the Deoxygenation of Fatty Acids over an Intermetallic Platinum–Zinc Alloy
Authors: Zhang Zihao , Tian Jinshu , Lu Yubing , Gou Xin , Li Junrui , Hu Wenda , Lin Wenwen , Kim R. Soyoung , Fu Jie
Published: February 2022

Direct deoxygenation of long‐chain fatty acids can produce both saturated alkanes (CnH2n+2) and unsaturated olefins (CnH2n). However, the selectivity for the production of olefins via the decarbonylation route is relatively low because of the more favorable decarboxylation pathway. We present an atomically ordered intermetallic PtZn alloy on carbon catalyst (PtZn/C) with a record‐high total selectivity (97 %) for undecane (C11H24) and undecene (C11H22) in the deoxygenation of lauric acid (C12H24O2). Interestingly, the selectivity for C11H22 is as high as 67.0 % on PtZn/C, which is significantly higher than that of 27.5 % obtained on the Pt/C counterpart under the same reaction conditions. Characterization and theoretical calculation results reveal that the intermetallic PtZn alloy not only inhibits the decarboxylation route by increasing the energy barrier of −COO* cleavage, but also facilitates the decarbonylation route by decreasing CO desorption energy, and therefore the major product is switched from alkanes to olefins.
Rhodaelectro‐Catalyzed peri‐Selective Direct Alkenylations with Weak O‐Coordination Enabled by the Hydrogen Evolution Reaction (HER)
Authors: Sadowski Bartłomiej , Yuan Binbin , Lin Zhipeng , Ackermann Lutz
Published: February 2022

Direct C−H functionalizations by electrocatalysis is dominated by strongly coordinating N(sp2)‐directing groups. In sharp contrast, direct electrocatalytic transformations of weakly‐coordinating phenols remain underdeveloped. Herein, electrooxidative peri C−H alkenylations of challenging 1‐naphthols were achieved by versatile rhodium(III) catalysis via user‐friendly constant current electrolysis. The rhodaelectrocatalysis employed readily‐available alkenes and a protic reaction medium and features ample scope, good functional group tolerance and high site‐ and stereoselectivity. The strategy was successfully applied to high‐value, nitrogen‐containing heterocycles, thereby providing direct access to uncommon heterocyclic motifs based on the dihydropyranoquinoline skeleton.
Activating a [FeFe] Hydrogenase Mimic for Hydrogen Evolution under Visible Light**
Authors: Buday Philipp , Kasahara Chizuru , Hofmeister Elisabeth , Kowalczyk Daniel , Farh Micheal K. , Riediger Saskia , Schulz Martin , Wächtler Maria , Furukawa Shunsuke , Saito Masaichi , Ziegenbalg Dirk , Gräfe Stefanie , Bäuerle Peter , Kupfer Stephan , Dietzek‐Ivanšić Benjamin , Weigand Wolfgang
Published: February 2022

Inspired by the active center of the natural [FeFe] hydrogenases, we designed a compact and precious metal‐free photosensitizer‐catalyst dyad (PS‐CAT) for photocatalytic hydrogen evolution under visible light irradiation.PS‐CATrepresents a prototype dyad comprising π‐conjugated oligothiophenes as light absorbers.PS‐CATand its interaction with the sacrificial donor 1,3‐dimethyl‐2‐phenylbenzimidazoline were studied by steady‐state and time‐resolved spectroscopy coupled with electrochemical techniques and visible light‐driven photocatalytic investigations.OperandoEPR spectroscopy revealed the formation of an active [FeIFe0] species—in accordance with theoretical calculations—presumably driving photocatalysis effectively (TON≈210).
Flame retardancy of silicone rubber foam containing modified hydrotalcite
Authors: Ma Li , Liu Xixi , Sheng Youjie , Guo Ying
Published: February 2022

Silicone rubber material (silicone rubber foam [SRF]) composites is a new type of polymer foam material, which has the characteristics of high elasticity and high‐temperature resistance, but this material is flammable. In order to improve the flame retardant properties of SRF composites. The co‐precipitation method is used to prepare modified hydrotalcites (LDHs) with different Ce/Al molar ratios for application to SRF composites. X‐ray diffraction, scanning electron microscopy (SEM), and FT‐IR are used to characterize modified LDHs with different Ce/Al molar ratios. The combustion performance, thermal decomposition, and mechanical properties of composite materials are studied through the limiting oxygen index (LOI), vertical combustion test, thermal gravimetric analysis, cone calorimeter test, and SEM. Results show that the LOI value of SRF composite with addition of 3% LDHs at a Ce/Al molar ratio of 0.3:0.7 is 31.2%, and the heat release rate, the smoke production rate, and total smoke production of the SRF composite are reduced by 53.64%, 34.92%, and 66.19%, respectively. Besides, the addition of modified LDHs leads to increase in the thermal stability of the SRF composite. The results obtained from this study can provide guidance for the development of environmentally friendly SRF.
Amorphization of Pseudocapacitive T−Nb2O5 Accelerates Lithium Diffusivity as Revealed Using Tunable Isomorphic Architectures
Authors: van den Bergh Wessel , Wechsler Sean , Lokupitiya Hasala Nadeesini , Jarocha Lauren , Kim Kwangnam , Chapman James , Kweon Kyoung E. , Wood Brandon C. , Heald Steve , Stefik Morgan
Published: February 2022

Intercalation pseudocapacitance can combine capacitor‐like power densities with battery‐like energy densities. Such surface‐limited behavior requires rapid diffusion where amorphization can increase solid‐state diffusivity. Here intercalation pseudocapacitive materials with tailored extents of amorphization in T‐Nb2O5 are first reported. Amorphization was characterized with WAXS, XPS, XAFS, and EPR which suggested a peroxide‐rich (O22−) surface that was consistent with DFT predictions. A series of tunable isomorphic architectures enabled comparisons while independently varying transport parameters. Through process of elimination, solid‐state lithium diffusion was identified as the dominant diffusive‐constraint dictating the maximum voltage sweep rate for surface‐limited kinetics (vSLT), termed the Surface‐Limited Threshold (SLT). The vSLT increased with amorphization however stable cycling required crystalline T‐Nb2O5. A current‐response model using series‐impedances well‐matched these observations. This perspective revealed that amorphization of T‐Nb2O5 enhanced solid‐state diffusion by 12.2 % and increased surface‐limitations by 17.0 % (stable samples). This approach enabled retaining 95 % lithiation capacity at ∼800 mV s−1 (1,600 C‐rate equivalent).
Generalization and maintenance of caregivers' effective instruction delivery following group behavioral skills training
Authors: LaBrot Zachary C. , Kupzyk Sara , Strong‐Bak Whitney , Bates‐Brantley Kayla , Caserta Abigail
Published: February 2022

Behavioral skills training (BST) is an effective modality to train parents in a variety of behavioral techniques for their children. However, extended wait times for behavioral health services can result in increased severity of children's problem behaviors. Furthermore, there is limited research demonstrating that behavior management techniques trained via BST generalizes beyond the setting in which they were trained. The purpose of this study was to evaluate the effectiveness of group‐based BST to improve three caregivers' use of effective instruction delivery (EID) for three children diagnosed with neurodevelopmental disorders and determine the extent to which effective instructions maintained and generalized to the home. Results indicated that all three caregivers' improved their EDI which resulted in children's improved response to instructions that maintained over time. Furthermore, caregivers' use of EID generalized to the home and maintained over time. Findings, implications, and areas for future research are discussed.
Mistakes in interpersonal perceptions: Social cognition in aggressive forensic psychiatry patients
Authors: Battaglia Anthony M. , Gicas Kristina M. , Mamak Mini , Goldberg Joel O.
Published: February 2022

Background

While there is an established link between untreated psychosis and aggression, an enhanced understanding of the role of social cognition is still needed.

Aims

To examine social cognitive functioning among patients in a specialist forensic mental health service who had been deemed not criminally responsible for acts of violence due to a psychotic disorder. It was hypothesised, first, that such patients would show reduced social cognitive functioning compared with healthy, nonviolent comparison participants and, second, that those who continued to be aggressive while inpatients would demonstrate significant reductions compared to the now nonaggressive group.

Methods

The study samples were of 10 recently aggressive and 15 not‐recently aggressive patients and 20 healthy, nonviolent comparison participants. Each completed the Toronto Empathy Questionnaire (TEQ), the Reading the Mind in the Eyes Test‐Revised (RMET) and the Interpersonal Perception Task‐15 (IPT‐15).

Results

There was no significance between group differences on the RMET and TEQ. The patient group as a whole, however, showed significant interpersonal misperceptions, with specific misperceptions on IPT‐15 deception and kinship subscales, while at the same time lacking self‐awareness of their errors. Misperceptions on the IPT‐15 competition subscale were unique to recently aggressive patients.

Conclusions

Select aspects of reduced social cognitive functioning were found among not criminally responsible patients with psychosis who had committed violent acts and who continued to act aggressively while forensic inpatients. These findings enhance our understanding of the role of social cognition in predisposing toward violence and the potential importance of incorporating interventions which improve social cognition directly. We suggest also the potential for future research using virtual reality technologies in treatment.
Electrochemical Treatment of Synthetic Wastewaters Contaminated by Organic Pollutants at Ti4O7 Anode. Study of the Role of Operative Parameters by Experimental Results and Theoretical Modelling
Authors: Hao Yongyong , Ma Pengfei , Ma Hongrui , Proietto Federica , Prestigiacomo Claudia , Galia Alessandro , Scialdone Onofrio
Published: February 2022

In the last years, an increasing attention has been devoted to the utilization of anodic oxidation (AO) technologies for the treatment of wastewater polluted by recalcitrant organics. Recently, Ti4O7 was proposed as a promising anode for AO for the treatment of various organics. Here the potential utilization of commercial Ti4O7 anodes has been evaluated considering the electrochemical treatment of synthetic wastewater contaminated by three very different organic molecules (namely, oxalic acid, phenol and Acid Orange 7), all characterized by a very high resistance to AO. The performances of Ti4O7 were compared with that of two largely investigated anodes: Boron‐doped diamond (BDD), which is probably the most effective electrode for AO, and an Ir‐based anode which presents a relatively low cost. Moreover, the effect of various operative conditions (current density, mixing rate and initial concentration of the organic) was evaluated by both experimental studies and the adoption of a theoretical model previously developed for BDD anodes. It was shown that the performances of the process can be improved by a proper selection of operative conditions. Moreover, it was found that the proposed model can be effectively used to predict the effect of operative parameters at Ti4O7 anodes, thus helping the process optimization.
Conjugated Tetrathiafulvalene Carboxylates for Stable Organic Lithium Batteries
Authors: Hu Weikang , Chen Nanjie , Chen Dongyang , Tong Bihai
Published: February 2022

Organic electrode materials are potential energy storage materials for the next generation lithium batteries. Herein, carboxylate groups are installed to a conjugated tetrathiafulvalene (TTF) platform to yield two compounds, namely lithium tetrathiafulvalene‐dicarboxylate (TTF‐Li2) and lithium tetrathiafulvalene‐tetracarboxylate (TTF‐Li4), as stable anode materials for lithium batteries. The low solubility in the electrolyte, brought about by the carboxylate groups, and high rechargeability ensured by the conjugated TTF platform lead to excellent battery performance. After cycling at a current density of 0.5 C for 120 cycles, a net specific capacity of 108.19 mAh g−1 and 217.55 mAh g−1 is obtained for the TTF‐Li2 and TTF‐Li4 anodes containing 70 wt.% of active materials, corresponding to 61.4 % and 82.0 % of their theoretical capacities, respectively. The density functional theory (DFT) calculation confirms the well‐delocalized charge for both TTF‐Li2 and TTF‐Li4. Therefore, the TTF‐Li2 and TTF‐Li4 are promising anode materials for lithium batteries.
Late‐Stage Chemoenzymatic Installation of Hydroxy‐Bearing Allyl Moiety on the Indole Ring of Tryptophan‐Containing Peptides
Authors: Mupparapu Nagaraju , Brewster Lauren , Ostrom Katrina F. , Elshahawi Sherif I.
Published: February 2022

The late‐stage functionalization of indole‐ and tryptophan‐containing compounds with reactive moieties facilitates downstream diversification and leads to changes in their biological properties. Here, the synthesis of two hydroxy‐bearing allyl pyrophosphates is described. A chemoenzymatic method is demonstrated which uses a promiscuous indole prenyltransferase enzyme to install a dual reactive hydroxy‐bearing allyl moiety directly on the indole ring of tryptophan‐containing peptides. This is the first report of late‐stage indole modifications with this reactive group.
Efficient Synthesis for a Wide Variety of Patellamide Derivatives and Phosphatase Activity of Copper‐Patellamide Complexes
Authors: Baur Philipp , Comba Peter , Velmurugan Gunasekaran
Published: February 2022

Copper complexes of patellamides have shown catalytic activity in a variety of reactions but their biological function remains unknown. There are significant differences between the natural macrocycles and synthetic analogues in the various catalytic activities. It therefore is essential to be able to perform in vivo and ex vivo reference measurements with the natural patellamide macrocycles, very similar derivatives and a large range of synthetic analogues. The preparative method described allows for a highly adaptable synthetic process producing building blocks for a large range of patellamide derivatives: apart from natural compounds, a new synthetic patellamide was prepared that does not have any substituents at any of the four heterocycles. Together with the variation of substituents at the aliphatic backbone, this allowed to elucidate the catalytic activity for phosphoester hydrolysis as a function of the structure and dynamics of the dicopper(II)‐patellamide complexes, both by experiment and DFT‐based mechanistic studies.
Selective, Transition Metal‐free 1,2‐Diboration of Alkyl Halides, Tosylates, and Alcohols
Authors: Huang Mingming , Hu Jiefeng , Shi Shasha , Friedrich Alexandra , Krebs Johannes , Westcott Stephen A. , Radius Udo , Marder Todd B.
Published: February 2022

Defunctionalization of readily available feedstocks to provide alkenes for the synthesis of multifunctional molecules represents an extremely useful process in organic synthesis. Herein, we describe a transition metal‐free, simple and efficient strategy to access alkyl 1,2‐bis(boronate esters) via regio‐ and diastereoselective diboration of secondary and tertiary alkyl halides (Br, Cl, I), tosylates, and alcohols. Control experiments demonstrated that the key to this high reactivity and selectivity is the addition of a combination of potassium iodide and N,N‐dimethylacetamide (DMA). The practicality and industrial potential of this transformation are demonstrated by its operational simplicity, wide functional group tolerance, and the late‐stage modification of complex molecules. From a drug discovery perspective, this synthetic method offers control of the position of diversification and diastereoselectivity in complex ring scaffolds, which would be especially useful in a lead optimization program.
Anti‐proliferative Properties of Schinensilactone A, A Schinortriterpenoid with 7,8‐Seco‐1,8‐cyclo Scaffold against Caco‐2 by Inducing Cell Apoptosis from the Leaves of Schisandra chinensis
Authors: Liu Yan , Liu Guo‐Zhen , Li Xiao‐Mao , Jiang Peng , Xia Yong‐Gang , Kuang Hai‐Xue , Yang Bing‐You
Published: February 2022

Comprehensive Summary

A novel schinortriterpenoid (SNT), schinensilactone A (1), characterized by a unique 7,8‐seco‐1,8‐cyclo‐schisanartane scaffold, was isolated from the leaves of Schisandra chinensis (Turcz.) Baill, together with a new SNT (schinensilactone B, 2) and two known (3, 4). Their structures were elucidated using spectroscopy and X‐ray diffraction. Furthermore, a hypothetical biosynthetic pathway for 1 was postulated due to its novel carbon skeleton. In addition, 1 exhibited significant anti‐proliferative activity against Caco‐2 cells originating from five different tumor cell lines, and its preliminary mechanism of action was investigated with respect to the expression of apoptosis‐related proteins, including P53, Caspase 3, Bax, PUMA, and Bcl2. These biological activities would further our understanding of the food function of Schisandra chinensis leaves.
Room‐Temperature Treatment with Thioacetamide Yielding Blue‐ and Green‐Emitting CsPbX3 Perovskite Nanocrystals with Enhanced Photoluminescence Efficiency and Stability
Authors: Gautam Rajesh Kumar , Das Somnath , Samanta Anunay
Published: February 2022

While multiple protocols are currently available for obtaining green‐ and red‐emitting lead halide perovskite nanocrystals (NCs) with near‐unity photoluminescence quantum yield (PLQY), achieving this target for the blue‐emitting NCs is still quite challenging. This is an impediment to the development of perovskite‐based highly efficient white LEDs of which blue is an essential component. Herein, we show that room‐temperature treatment of the blue‐emitting CsPbCl1.5Br1.5, cyan‐emitting CsPbClBr2 and green‐emitting CsPbBr3 NCs with thioacetamide not only enhances the PLQY to near‐unity (∼97–99%) without affecting the PL maximum and bandwidth, but also improves the stability of the systems significantly. The investigation reveals that effective passivation of under‐coordinated surface Pb2+ through formation of Pb−S and Pb−NH2 bonds and removal of excess lead atoms suppress the nonradiative recombination channels and enhances the PLQY and stability of the NCs. Outstanding PL efficiency and superior long‐term stability make these systems potential ingredients for various lighting and display applications.
Development of Rofecoxib‐Based Fluorophores from ACQ to AIE by Positional Regioisomerization
Authors: Wang Xinli , Chen Liwei , Li Renfu , Xie Zuoxu , Hu Ming , Sun Shitao , Li Zhenli , Hao Jinle , Lin Bin , Chen Xueyuan , Xie Lijun
Published: February 2022

The development of aggregation‐induced emission luminogens (AIEgens) has attracted increasing attention due to their potential applications in various areas in recent years. In this study, a facile conversion from aggregation‐caused quenching (ACQ) to aggregation‐induced emission (AIE) was achieved by an efficient regioisomerization strategy based on the rofecoxib scaffold. Two compounds, named PYR2 and PYR4, were identified as regioisomers of rofecoxib derivatives to show dramatically different fluorescent properties. Compound PYR2 with an ortho‐substituted piperidine group showed typical AIE activity while compound PYR4 with a para‐piperidine group exhibited typical ACQ behavior. Notably, compound PYR2 showed polymorphism with two forms of crystals. It was also endowed with reversible mechanochromic luminescence and acidochromic properties. The different fluorescent properties were elucidated by UV/Vis absorption spectroscopy, powder X‐ray diffraction, differential scanning calorimetry, and thermogravimetric analyses. Its application as a security ink and in lipid droplets imaging have been demonstrated.
2‐Aryl‐1H‐benz[de]isoquinolinium Ions: Cationic Dyes Displaying Mechanochromism and Crystallochromism
Authors: Katayama Koji , Matsuura Yuka , Kitamura Chitoshi , Nishida Jun‐ichi , Kawase Takeshi
Published: February 2022

2‐Aryl‐5,8‐di‐tert‐butyl‐1H‐benz[de]isoquinolinium tetrafluoroborates were synthesized and crystalized to form yellow to orange crystals. Absorption and fluorescence maxima (λABS and λFL‐SL) of the compounds in CH2Cl2 depend on the electronic and steric properties of the aryl ring substituents and closely match those arising from theoretical calculations. λABS and λFL‐SL values of the compound possessing bulky 2,6‐diisopropylphenyl substituents are the shortest among the substances because of sterically promoted retardation of conjugation between the isoquinolinium and aryl ring planes. In contrast, solid‐state fluorescence maxima (λFL‐SD) of the compounds are not closely correlated with the electronic properties of the aryl substituents. Furthermore, one crystalline form of both the 4‐trifluoromethylphenyl and 4‐nitrophenyl derivatives exhibit mechanochromic and crystallochromic behavior reflected in absorption and fluorescence color changes. X‐ray diffraction and crystallographic analysis reveal that the solid state photophysical properties of these substances are related to different molecular stacking interactions occurring in different crystalline forms.
Deep‐Red‐Emissive Flexible Optical Waveguide with High Elastic Performance Based on an Organic Crystal
Authors: Yu Xu , Liu Bin , Pan Xiuhong , Zhang Hongyu
Published: February 2022

Organic crystals with elasticity and light‐guiding properties have been used for spatial control of light output for photonic devices and circuits. However, the emission wavelengths of organic crystals for active optical waveguides are still too short for practical applications; the elastic performance of organic crystals should be further improved. Here, we develop an organic crystal of the compound 5‐[4‐(dimethylamino)phenyl]‐1‐(4‐fluorophenyl)penta‐2,4‐dien‐1‐one (DPFP) with an emission wavelength near 675 nm. The crystal is very soft and has an elastic modulus of 323.95 MPa. The properties suggest that it has value as an active optical waveguide. It also undergoes a crystalline transition process. After the transition, both the elastic and emission properties are retained so that it can be used as an optical waveguide. These phenomena were then studied via both experimental and theoretical methods.
Adoption of change in endodontic practice after an educational program: A qualitative study
Authors: Wolf Eva , Leonard Kerstin , Vidigsson My , Tegelberg Åke , Koch Margaretha
Published: February 2022

Objectives

The aim was to define the characteristics of successful implementation of new clinical endodontic routines within a public dental health organization, following an educational program.

Materials and Methods

Fifteen staff members were strategically selected for the interview. All had completed a theoretical educational intervention including a complementary endodontic treatment strategy and, for the dentists, comprising training in the nickel‐titanium‐rotary‐technique. All experienced the successful acceptance of new clinical routines. Two thematic in‐depth audiotaped interviews were conducted, wherein the informants described the implementation process in their own words. The interviews were transcribed verbatim and analyzed according to Qualitative Content Analysis.

Results

A theme was identified: A multiple flexible process with governance support and gradual reinforcement of motivation, with the following main categories: Firstly, contextual facilitation, with two subcategories (i) a multifaceted organizational foundation and (ii) a tolerance of flexibility. Secondly, emotional facilitation, with two subcategories (i) an experience of simplification and (ii) an experience of improvement.

Conclusion

The results improve the understanding of a multifaceted process underlying the acceptance of changes to clinical endodontic procedures by dentists in a public dental health organization. Important contributing factors identified were governance support, a committed resource person with contextual knowledge, tolerance of flexibility in implementation, and permissive informal communication channels within the local workplace. These findings might be a valuable contribution to an evidence base, facilitating the selection of the most appropriate educational strategy and structure for a specified purpose.
Anthropogenic fragmentation increases risk of genetic decline in the threatened orchidPlatanthera leucophaea
Authors: Ellwanger Claire , Steger Laura , Pollack Cathy , Wells Rachel , Benjamin Fant Jeremie
Published: February 2022

Protecting biodiversity requires an understanding of how anthropogenic changes impact the genetic processes associated with extinction risk. Studies of the genetic changes due to anthropogenic fragmentation have revealed conflicting results. This is likely due to the difficulty in isolating habitat loss and fragmentation, which can have opposing impacts on genetic parameters. The well‐studied orchid,Platanthera leucophaea, provides a rich dataset to address this issue, allowing us to examine range‐wide genetic changes. Midwestern and Northeastern United States. We sampled 35 populations ofP. leucophaeathat spanned the species’ range and varied in patch composition, degree of patch isolation, and population size. From these populations we measured genetic parameters associated with increased extinction risk. Using this combined dataset, we modeled landscape variables and population metrics against genetic parameters to determine the best predictors of increased extinction risk. All genetic parameters were strongly associated with population size, while development and patch isolation showed an association with genetic diversity and genetic structure. Genetic diversity was lowest in populations with small census sizes, greater urbanization pressures (habitat loss), and small patch area. All populations showed moderate levels of inbreeding, regardless of size. Contrary to expectation, we found that critically small populations had negative inbreeding values, indicating non‐random mating not typically observed in wild populations, which we attribute to selection for less inbred individuals. The once widespread orchid,Platanthera leucophaea, has suffered drastic declines and extant populations show changes in the genetic parameters associated with increased extinction risk, especially smaller populations. Due to the important correlation with risk and habitat loss, we advocate continued monitoring of population sizes by resource managers, while the critically small populations may need additional management to reverse genetic declines.
Extracting spatial networks from capture–recapture data reveals individual site fidelity patterns within a marine mammal’s spatial range
Authors: Bonnell Tyler R. , Michaud Robert , Dupuch Angélique , Lesage Véronique , Chion Clément
Published: February 2022

Estimating the impacts of anthropogenic disturbances requires an understanding of the habitat‐use patterns of individuals within a population. This is especially the case when disturbances are localized within a population's spatial range, as variation in habitat use within a population can drastically alter the distribution of impacts.

Here, we illustrate the potential for multilevel binomial models to generate spatial networks from capture–recapture data, a common data source used in wildlife studies to monitor population dynamics and habitat use. These spatial networks capture which regions of a population's spatial distribution share similar/dissimilar individual usage patterns, and can be especially useful for detecting structured habitat use within the population's spatial range.

Using simulations and 18 years of capture–recapture data from St. Lawrence Estuary (SLE) beluga, we show that this approach can successfully estimate the magnitude of similarities/dissimilarities in individual usage patterns across sectors, and identify sectors that share similar individual usage patterns that differ from other sectors, that is, structured habitat use. In the case of SLE beluga, this method identified multiple clusters of individuals, each preferentially using restricted areas within their summer range of the SLE.

Multilevel binomial models can be effective at estimating spatial structure in habitat use within wildlife populations sampled by capture–recapture of individuals, and can be especially useful when sampling effort is not evenly distributed. Our finding of a structured habitat use within the SLE beluga summer range has direct implications for estimating individual exposures to localized stressors, such as underwater noise from shipping or other activities.
Source rock evaluation within a sequence stratigraphic framework of the Palaeogene Liushagang Formation in the Fushan Depression, South China Sea
Authors: Zeng Bang , Li Meijun , Wang Xin , Wang Fangzheng , Gong Chenglin , Lai Jin , Shi Yang
Published: February 2022

The Fushan Depression is one of the prolific hydrocarbon‐bearing depressions in the Beibuwan Basin, South China Sea. In this study, a total of 133 mudstone samples, 18 well‐logging curves, and 12 seismic sections were analysed to investigate the geochemical features and spatial distribution of effective source rocks of the Palaeogene Liushagang Formation within a sequence stratigraphic geochemical framework. The results suggest that depositional centres of mudstones northward migrated from the central Huangtong Sag during the Liushagang period. Good hydrocarbon generation potential source rocks containing Type II kerogen occur in the transgressive systems tract (TST)–highstand systems tract (HST) of lower Liushagang sequence (SQls3), the middle Liushagang sequence (SQls2), and the lowstand systems tract (LST)–TST of upper Liushagang sequence (SQls1). The occurrence of effective source rock kitchens, which are mainly controlled by the thermal maturity is distributed in the strip‐shaped area of SQls3 sequence, the whole Huangtong Sag of SQls2 sequence, and the central and northern part of Huangtong Sag of SQls1 sequence, respectively. Fewer hydrocarbon accumulations were found in the southern slope due to the relatively deeper hydrocarbon generation threshold depth and to the limited occurrence of effective source rock kitchens.
Effect of metal oxide nanofluids on the performance of passive solar still single slope for two different absorbent plates
Authors: Zabour Khadija , Feddaoui M'barek , Meftah Hicham
Published: February 2022

This study aims to improve the performances of a solar still single slope using metal oxide nanofluid (Al2O3–water, Cu2O–water, and TiO2–water). The numerical study was carried out for the climatic conditions of Agadir, Morocco, with different concentrations of nanofluids inside a basin equipped with an absorber plate with two different absorptivities. The numerical study is based on thermal balance equations applied on different solar system components and solved using the Runge Kutta method. The numerical model is validated by comparing our results with the literature available data. A comparison study of the effect of these nanofluids on solar still productivity is done. The results show that the productivity of the solar still using nanoparticles Cu2O, TiO2, and Al2O3 are 7.38, 7.1, and 7.064 kg m−2 day−1, respectively. It is obtained that the maximum efficiency of the solar still is found to be 55.27% by using cuprous oxide nanoparticles. Furthermore, an enhancement in solar still productivity of 6.36%, 19.54%, and 33.25% is obtained by dispersing 1%, 3%, and 5% volume fraction of Cu2O nanoparticles in pure water, respectively compared to the conventional solar. Moreover, the impact of the absorptivity of the absorber plate on the solar still effectiveness is investigated. Two types of coatings are considered to change the absorber plate absorptivity. The results indicate that the efficiencies of the solar system are 58.81% and 51.77% using an absorber plate with 0.95 and 0.85 of absorptivity, respectively.
Case Study: A Japanese patient with metastatic renal cell carcinoma who achieved long‐term treatment‐free survival with pembrolizumab and axitinib in the KEYNOTE‐426 phase III trial of pembrolizumab and axitinib versus sunitinib
Authors: Nishimoto Koshiro , Shirotake Suguru , Miyama Yu , Kaneko Go , Kanao Kent , Igarashi Daisuke , Takahashi Takayuki , Umezawa Yuta , Yasuda Masanori , Oyama Masafumi
Published: February 2022

Introduction

Our patient treated with pembrolizumab and axitinib is one of the longest survivors in Japan on KEYNOTE 426, despite adverse events, including delayed‐onset hepatitis. We herein present a detailed clinical course and short discussion on the case.

Case presentation

This was a 49‐year‐old male with clear cell renal cell carcinoma and lung metastases. After cytoreductive nephrectomy, treatment with pembrolizumab plus axitinib was initiated and the patient demonstrated a radiographic partial response as best response. The main adverse event was pembrolizumab‐induced delayed‐onset hepatitis, which was successfully treated with prednisolone. Pembrolizumab was re‐initiated and completed.

Conclusion

The survival benefit in the present case may be due to the initial potent anti‐cancer effects of axitinib and durable immune effects of pembrolizumab, leading to long‐term treatment‐free survival.
Complex permittivity‐dependent plasma confinement‐assisted growth of asymmetric vertical graphene nanofiber membrane for high‐performance Li‐S full cells
Authors: Zhang Yongshang , Wu Zhiheng , Wang Shaobin , Li Neng , Silva S. Ravi P. , Shao Guosheng , Zhang Peng
Published: February 2022

Vertical graphene (VG), possessing superior chemical, physical, and structural peculiarities, holds great promise as a building block for constructing a high‐energy density lithium‐sulfur (Li‐S) battery. Therefore, it is desirable to develop a new VG growth technique with a novel structure to enable wide applications. Herein, we devise a novel complex permittivity‐dependent plasma confinement‐assisted VG growth technique, via asymmetric growing a VG layer on one side of N‐doped carbon nanofibers for the first time, using a unique lab‐built high flux plasma‐enhanced chemical vapor deposition system, as a bifunctional nanofiber membrane to construct Li‐S batteries with low negative/positive (N/P) and electrolyte/sulfur (E/S) ratios. The unique nanofiber membrane could simultaneously protect the cathode and anode, enabling an excellent electrochemical performance with low N/P and E/S ratios in Li‐S batteries. Such a full cell delivers high gravimetric energy density and volumetric energy density of 340 Wh kg−1 and 547 Wh L−1, respectively, at low N/P (2:1) and E/S (4:1) ratios. Furthermore, a pouch cell achieves a high areal capacity of 7.1 mAh cm−2 at a sulfur loading of 6 mg cm−2. This work put forward a novel pathway for the design of high‐energy density Li‐S batteries.

image
Search for transition states with external forces
Authors: Brzyska Agnieszka , Wolinski Krzysztof
Published: February 2022

It is much more difficult to find on the potential energy surface (PES) a transition state (TS) than a local minimum (LM). We propose a new methodology which makes this task much easier. Applying external forces to nuclei in a molecule we can locate on PES not just one particular TS but a number of consecutive transition states. With our approach it is possible to move over PES from one transition state to another without involving any local minima. The latter can be located in a separate step through the reaction path calculations performed for every transition state found before. Preliminary results for the 2‐fluorofuran molecule illustrate the usefulness of the proposed method.
Using readiness to understand implementation challenges in school mental health research
Authors: Splett Joni W. , Perales Kelly , Miller Elaine , Hartley Samantha N. , Wandersman Abraham , Halliday Colleen A. , Weist Mark D.
Published: February 2022

Schools and research partners are increasingly implementing complex, multicomponent interventions and school‐wide frameworks to better meet students' social, emotional, behavioral, and academic needs; however, in the research and real‐world contexts, implementation is often fraught with many challenges and barriers to success. This study explores implementation barriers encountered during a randomized controlled trial testing effects of one complex intervention strategy—the Interconnected Systems Framework—from the lens of a practical model for conceptualizing organizational readiness—the Interactive Systems Framework for Dissemination and Implementation. Implementation of the Interconnected Systems Framework was explored via focus group and key informant interviews with school and mental health professionals, and research team members responsible for implementing the intervention in randomly assigned study schools. Results from inductive thematic analysis of verbatim transcripts identified three primary implementation challenges: staff turnover, inadequate leadership buy‐in, and insufficient time for training/planning. Each challenge is explored from interview participants' perspectives and the extant literature, then connected to recommendations from implementation science to help others avoid similar challenges in their well‐intentioned efforts to address the mounting concern for students' wellbeing.
Self‐transducible LRS‐UNE‐L peptide enhances muscle regeneration
Authors: Baek Mi‐Ock , Cho Hye‐Jeong , Min Do Sik , Choi Cheol Soo , Yoon Mee‐Sup
Published: February 2022

Background

Muscle regeneration includes proliferation and differentiation of muscle satellite cells, which involves the mammalian target of rapamycin (mTOR). We identified the C‐terminal unique attached sequence motif (UNE) domain of leucyl‐tRNA synthetase (LRS‐UNE‐L) as an mTORC1 (mTOR complex1)‐activating domain that acts through Vps34 and phospholipase D1 (PLD1) when introduced in the form of a muscle‐enhancing peptide.

Methods

In vitro Vps34 lipid kinase assay, phosphatidylinositol 3‐phosphate (PI(3)P) measurement, in vivo PLD1 assay, and western blot assay were performed in HEK293 cells to test the effect of the LRS‐UNE‐L on the Vps34‐PLD1‐mTOR pathway. Adeno‐associated virus (AAV)‐LRS‐UNE‐L was transduced in C2C12 cells in vitro, in BaCl2‐injured tibialis anterior (TA) muscles, and in 18‐month‐old TA muscles to analyse its effect on myogenesis, muscle regeneration, and aged muscle, respectively. The muscle‐specific cell‐permeable peptide M12 was fused with LRS‐UNE‐L and tested for cell integration in C2C12 and HEK293 cells using FACS analysis and immunocytochemistry. Finally, M12‐LRS‐UNE‐L was introduced into BaCl2‐injured TA muscles of 15‐week‐old Pld1+/+ or Pld1−/− mice, and its effect was analysed by measurement of cross‐sectional area of regenerating muscle fibres.

Results

The LRS‐UNE‐L expression restored amino acid‐induced S6K1 phosphorylation in LRS knockdown cells in a RagD GTPases‐independent manner (421%, P = 0.007 vs. LRS knockdown control cells). The LRS‐UNE‐L domain was directly bound to Vps34; this interaction was accompanied by increases in Vps34 activity (166%, P = 0.0352), PI(3)P levels (146%, P = 0.0039), and PLD1 activity (228%, P = 0.0294) compared with amino acid‐treated control cells, but it did not affect autophagic flux. AAV‐delivered LRS‐UNE‐L domain augmented S6K1 phosphorylation (174%, P = 0.0013), mRNA levels of myosin heavy chain (MHC) (122%, P = 0.0282) and insulin‐like growth factor 2 (IGF2) (146%, P = 0.008), and myogenic fusion (133%, P = 0.0479) in C2C12 myotubes. AAV‐LRS‐UNE‐L increased the size of regenerating muscle fibres in BaCl2‐injured TA muscles (124%, P = 0.0279) (n = 9–10), but it did not change the muscle fibre size of TA muscles in old mice. M12‐LRS‐UNE‐L was preferentially delivered into C2C12 cells compared with HEK293 cells and augmented regeneration of BaCl2‐injured TA muscles in a PLD1‐dependent manner (116%, P = 0.0022) (n = 6).

Conclusions

Our results provide compelling evidence that M12‐LRS‐UNE‐L could be a muscle‐enhancing protein targeting mTOR.