bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultrafast Triplet–Singlet Exciton Interconversion in Narrowband Blue Organoboron Emitters Doped with Heavy Chalcogens
Authors: Park In Seob , Min Hyukgi , Yasuda Takuma
Published: May 2022

Narrowband emissive organoboron emitters featuring the multi‐resonance (MR) effect have now become a critical material component for constructing high‐performance organic light‐emitting diodes (OLEDs) with pure emission colors. These MR organoboron emitters are capable of exhibiting high‐efficiency narrowband thermally activated delayed fluorescence (TADF) by allowing triplet‐to‐singlet reverse intersystem crossing (RISC). However, RISC involving spin‐flip exciton upconversion is generally the rate‐limiting step in the overall TADF; hence, a deeper understanding and precise control of the RISC dynamics are ongoing crucial challenges. Here, we introduce the first MR organoboron emitter (CzBSe) doped with a selenium atom, demonstrating a record‐high RISC rate exceeding 108 s−1, which is even higher than its fluorescence radiation rate. Furthermore, the spin‐flip upconversion process inCzBSecan be accelerated by factors of ≈20000 and ≈800, compared to those of its oxygen‐ and sulfur‐doped homologs (CzBOandCzBS), respectively. UnlikeCzBOandCzBS, the photophysical rate‐limiting step inCzBSeis no longer RISC, but the fluorescence radiation process; this behavior is completely different from the conventional time‐delaying TADF limited by the slow RISC. Benefitting from its ultrafast exciton spin conversion ability, OLEDs incorporatingCzBSeachieved a maximum external electroluminescence quantum efficiency as high as 23.9 %, accompanied by MR‐induced blue narrowband emission and significantly alleviated efficiency roll‐off features.
Synthesis of an N‐Heterocylic Boryl‐Stabilized Disilyne and Its Application to the Activation of Dihydrogen and C−H Bonds
Authors: Ding Yazhou , Li Yang , Zhang Jianying , Cui Chunming
Published: May 2022

The synthesis of low‐valent silicon compounds that enable the activation of small molecules has been of great current interest. Reduction of N‐heterocyclic boryltribromosilane (NHB)SiBr3 (2, NHB=[ArN(CMe)2NAr]B, Ar=2,6‐iPr2C6H3) with three equiv. of lithium in diethyl ether yielded the NHB‐stabilized disilyne (NHB)Si≡Si(NHB) (3). Disilyne 3 slowly reacted with toluene, leading to the activation of one benzylic C−H bond and one C=C double bond with the formation of 4. Treatment of 3 with dihydrogen under 1 atm at room temperature resulted in the exclusive formation of the first boryl‐stabilized 1,2‐dihydrodisilene. Compounds 3–5 have been characterized by single‐crystal X‐ray diffraction studies, which indicated the co‐planarity of the B−Si−Si−B plane with the NHB rings in compounds 3 and 5. DFT calculations indicated the significant π electron delocalization of the Si−Si multiple bonds to the B−N bonds in NHB rings.
Merging the Non‐Natural Catalytic Activity of Lipase and Electrosynthesis: Asymmetric Oxidative Cross‐Coupling of Secondary Amines with Ketones
Authors: Long Chao‐Jiu , Cao Huan , Zhao Ben‐Kun , Tan Yu‐Fang , He Yan‐Hong , Huang Chu‐Sheng , Guan Zhi
Published: May 2022

We describe the enantioselective oxidative cross‐coupling of secondary amines with ketones by combining the non‐natural catalytic activity of lipase with electrosynthesis. Various 2,2‐disubstituted 3‐carbonyl indoles with a stereogenic quaternary carbon center were synthesized from 2‐substituted indoles in yields up to 78 % with good enantio‐ and diastereoselectivities (up to 96 : 4 e.r. and >20 : 1 d.r.). This unprecedented protocol demonstrated that hydrolase catalysis is compatible with electrosynthesis, and the reaction can be carried out in organic solvents with a broad substrate scope and good stereoselectivity. This work provides insights into enzymatic electrosynthesis.
Poly(3‐hexylthiophene) stabilized ultrafine nickel oxide nanoparticles as superior electrocatalyst for oxygen evolution reaction: Catalyst design through synergistic combination of π‐conjugated polymers and metal‐based nanoparticles
Authors: Iftikhar Sunniya , Aslam Saba , Duran Hatice , Çitoğlu Senem , Kirchhoff Katrin , Lieberwirth Ingo , Sohail Manzar , Yameen Basit
Published: May 2022

We report the synthesis and electrocatalytic activity of poly(3‐hexylthiophene) stabilized nickel oxide nanoparticles (P3HT@NiO NPs). Employing semiconducting P3HT as a stabilizing agent produced well dispersed P3HT@NiO NPs with uniform size distribution (2.5 ± 1.2 nm). For comparison, NiO NPs stabilized with the small molecule 3‐hexylthiophene (3HT@NiO NPs) were also synthesized and characterized as reference material. The physiochemical properties of the developed hybrid P3HT@NiO were fully characterized using UV/Vis absorption spectroscopy, fluorescence spectroscopy, high resolution transmission electron microscopy (HRTEM) and X‐ray photoelectron spectroscopy (XPS). The electrocatalytic activities of the developed semiconducting polymer‐stabilized NPs were evaluated for the oxygen evolution reaction (OER) of water splitting. Our work reveals the electronic communication between P3HT and NiO NPs and demonstrates that P3HT@NiO NPs exhibit superior catalytic activity with an overpotential of 310 mV when compared to the reference 3HT@NiO NPs which exhibited an overpotential 560 mV. These results suggest that the heteroatom‐containing π‐conjugated semiconducting polymers can be employed as electrocatalytic performance enhancing and stabilizing ligands for the synthesis of ultrafine metal‐based NPs as efficient electrocatalytic platforms.
Cooperative Supramolecular Polymerization Guided by Dispersive Interactions
Authors: Kotha Srinu , Sahu Rahul , Srideep Dasari , Yamijala Sharma S. R. K. C. , Kumar Reddy Sandeep , Venkata Rao Kotagiri
Published: May 2022

Cooperative supramolecular polymerization is important for the synthesis of functional supramolecular homo and block‐copolymers of π‐systems. Current strategies indicate the need of strong hydrogen bonding (H‐bonding) and/or dipolar interactions in the π‐systems to achieve cooperativity. In sharp contrast, here we report the cooperative supramolecular polymerization in alkyl chain substituted perylene diimides (alkyl PDIs) driven by dispersive interactions with molecular level understanding. Moreover, alkyl PDIs follow cooperative mechanism with cooperativity similar to the strong H‐bonded π‐systems (σ∼10−5) despite the lack of strong H‐bonding and dipolar interactions. Computer simulations show that this surprising phenomenon in alkyl PDIs is driven by the efficient dispersive interactions among the alkyl chains and π‐cores due to their zigzag arrangement in the supramolecular polymer. Importantly, alkyl PDIs display cooperative supramolecular polymerization in both polar and non‐polar solvents which is difficult for H‐bonded/dipolar π‐systems thus highlighting the advantages of dispersive interactions.
Analysis of the expression levels of chemerin, ox‐LDL, MMP‐9, and PAPP‐A in ICVD patients and their relationship with the severity of neurological impairment
Authors: Jia Jianpu , Wang Lixuan , Zhang Liran , Hong Zhen , Xia Ruixue , Zhao Zeyu , Zhang Leguo
Published: May 2022

Objective

The study aimed to analyze the relationship between expression levels of chemerin, oxidized low density lipoprotein (ox‐LDL), matrix metalloproteinase 9 (MMP‐9) and pregnancy associated plasma protein A (PAPP‐A) in ischemic cerebrovascular disease (ICVD) patients and the relationship between the mentioned indicators and the degree of neurological impairment.

Methods

From January 2020 to February 2021, a total of 328 cases of ICVD patients were admitted to our hospital, and 240 cases of healthy people (control group) were prospectively recruited into this study. The 328 patients were divided into 2 ischemic subtypes, with 233 cases as acute cerebral infarction (ACI) and 95 cases as transient ischemic attack (TIA). Laboratory tests were compared among the groups. Spearman rank correlation was used to analyze the correlation between chemerin, ox‐LDL, MMP‐9, PAPP‐A levels and neurological deficit. Unconditional logisitic regression was used to analyze the risk factors for neurological deficits.

Results

The high density lipoprotein cholesterol (HDL‐C), fasting plasma glucose (FPG), chemerin, ox‐LDL, MMP‐9, and PPAP‐A levels in the ACI group were significantly higher than those in the TIA group and control group (p < 0.05, respectively), while the levels of the mentioned indicators in the TIA group were significantly higher than those in control group (p < 0.05, respectively). The levels of the given indicators decreased successively in the severe, moderate, and mild neurological deficits population and control group, with statistical difference. Spearman rank correlation analysis showed that chemerin, ox‐LDL, MMP‐9, and PPAP‐A levels were positively correlated with the degree of neurological deficit in ICVD patients. Unconditional logistic regression analysis showed that chemerin, ox‐LDL, MMP‐9, and PPAP‐A were the independent risk factors for neurological deficit in patients with ICVD.

Conclusion

LDL‐C, FPG, chemerin, ox‐LDL, MMP‐9, and PPAP‐A were highly expressed in ACI and neurological deficit patients. Chemerin, ox‐LDL, MMP‐9, and PPAP‐A may be the independent risk factors for neurological deficit in patients with ICVD.
The links between active cooperation and eco‐innovation orientation of firms: A multi‐analysis study
Authors: Diez‐Martinez Ines , Peiro‐Signes Angel , Segarra‐Oña Marival
Published: May 2022

The environmental orientation of companies is key for firms to gain a competitive advantage against peers. However, the high level of novelty and uncertainty involved with eco‐innovations requires additional knowledge and capabilities that go beyond the firm and that can be achieved through cooperation. Thus, it is crucial to analyse how cooperation affects the elements that drive eco‐innovation. This study tests the impact of cooperation on the environmental orientation of companies while innovating using structural equation modelling with partial least squares and multigroup analysis and a fuzzy‐set qualitative comparative analysis for a sample of Spanish companies. Results suggest that companies that do not cooperate are less eco‐innovation‐oriented and show lower dependence on external information sources, although their impact on the orientation to product and process innovation is higher. This work leads to some theoretical conclusions and implications for researchers and practitioners.
A global design principle for polysulfide electrocatalysis in lithium–sulfur batteries—A computational perspective
Authors: Abraham Akhil M. , Boteju Thilini , Ponnurangam Sathish , Thangadurai Venkataraman
Published: May 2022

Widespread commercialization of high‐energy‐density lithium–sulfur (Li–S) batteries is difficult due to the lithium polysulfide, Li2Sn (n = 4, 6, 8), shuttle effect. Efficient adsorption/conversion of Li2Sn species on an electrocatalytic surface can suppress the shuttle effect. Modeling of the adsorption of Li2Sn species using density functional theory (DFT) calculations has contributed significantly toward an understanding of their anchoring mechanism at a surface. Different surfaces show a unique range of binding energies for faster Li2Sn adsorption/reaction kinetics. To predict the optimum binding energy zone, a systematic DFT study is performed on transition‐metal sulfide (TMS) surfaces including TiS2, VS2, NbS2, MoS2, WS2, and SnS2. The investigation revealed that the geometric properties at the anchoring site possibly regulate the adsorption energy of Li2Sn species. A geometry parameter, Gscore, is defined as a function of bond length and number of lithium‐atom interactions between the Li2Sn species and the binding surface. The design principle is extended to sulfur‐deficient (TMSs‐x) and edge‐exposed (TMS(100)) surfaces. The Gscore predicts the most effective binding energy zone distinctive to these materials—TMS (1.7–2.1 eV/Gscore ≥ 2.0), TMSs‐x (2.0–2.8 eV/Gscore ≥ 2.1), and TMS(100) (2.5–3.2 eV/Gscore ≥ 1.09).
Light‐intensity and moderate‐to‐vigorous intensity physical activity among older adult breast cancer survivors with obesity: A narrative review
Authors: Gordon Brett R. , Caru Maxime , Blair Cindy K. , Bluethmann Shirley M. , Conroy David E. , Doerksen Shawna E. , Hakun Jonathon G. , Sturgeon Kathleen M. , Potiaumpai Melanie , Sciamanna Christopher N. , Schmitz Kathryn H.
Published: May 2022

Background

With an aging population, rising incidence of breast cancer, improved survival rates, and obesity epidemic, there will be a growing population of older adult breast cancer survivors with obesity. This complex population, often with multimorbidity, is at risk for several poor health outcomes, including recurrence, cardiovascular disease, dementia, and diabetes, and a number of deleterious symptoms, including a worsened inflammatory profile, breast cancer‐ related lymphedema, mobility disability, cognitive impairment, anxiety, and depressive symptoms. A wealth of meta‐analytic and randomized controlled trial evidence show that adherence to World Health Organization and 2018 United States Physical Activity guidelines‐based levels of moderate‐to‐vigorous physical activity (MVPA) reduces risk of all‐cause mortality, and improves symptoms. However, few survivors engage in recommended levels of MVPA, and symptoms related to their multimorbidity may preclude engaging in sufficient levels of MVPA. Additional research of MVPA in this population is warranted; however, understudied light‐intensity physical activity (LIPA) may be a more pragmatic target than MVPA among this complex population facing extensive challenges meeting MVPA recommendations. Large benefits are likely to occur from increasing these survivors' total activity, and LIPA prescriptions may be a more pragmatic approach than MVPA to aid this transition.

Methods

We present a broad, narrative review of the evidence for MVPA and LIPA in this population on an array of health outcomes across the translational science spectrum (clinical, implementation, and public health), and identify a number of directions for future research focused on understanding the potential diverse health effects of LIPA.

Conclusion

Additional LIPA research is warranted, as LIPA prescriptions may be a pragmatic strategy to effectively promote physical activity to this complex population.
Phytochemical, Chemotaxonomic and Bioinformatics Study on Laportea bulbifera (Urticaceae)
Authors: Lu Xuan , Zhao Yuxuan , Li Bo , Feng Weixing , Qi Junkai , Feng Baomin
Published: May 2022

Phytochemical investigation of the aerial part of Laportea bulbifera (Siebold & Zucc.) Wedd. (L. bulbifera) showed the isolation of seventeen compounds, including five flavonoids (1–4 and 6), one terpenoid (5), five phenolic acids (7–11), one coumarin (12), two steroids (13–14), and three alkaloids (15–17). Structure elucidations of these compounds were performed on the basis of extensive NMR experiments and compared with the published data in the references. It is remarkable that compounds (3–5) were firstly isolated from the Urticaceae family, compounds (3–8, 11 and 15–17) were firstly obtained from genus Laportea. Furthermore, the result of the chemotaxonomic significance discussion showed that compounds (2–4) may can be served as compound fingerprints to distinguish between species of L. bulbifera and genus Urtica, and what’ more, we proposed a bold conjecture that isoflavones can distinguish between species of L. bulbifera and genus Urtica. At the same time, the molecular docking method was used to evaluate the inhibitory effect of these compounds on human steroid 5α‐reductase 2 (SRD5α2). The results showed that compounds (1–4 and 6) had better expected effects than the positive drug finasteride can by effectively binding to the active sites of SRD5α2. This study assisted in the future phytochemical and chemotaxonomic research on genus Laportea. Simultaneously, this research provided the theoretical evidence for the application of L. bulbifera in treating benign prostatic hyperplasia (BPH).
Suicidal attempt by disinfectant solution ingestion in case of opioid dependence
Authors: Koulaei Nejad Kiana , Ghasemzadeh Rahbardar Mahboobeh
Published: May 2022

The current study presents a rare case of an opioid dependence (46‐year‐old man) ingesting a disinfectant solution (Wavicide‐01; 2.65% glutaraldehyde solution, pH:6). The doctor intubated the patient and ordered bicarbonate for systemic acidosis, anti‐proton‐pump inhibitors (PPIs), and mechanical ventilation because the patient's breathing was irregular and the endoscopy revealed grade 1 and grade 2 burns all the way through the gastrointestinal tract up to the duodenum. As a result, ingestion of glutaraldehyde compounds should be closely monitored for laryngeal edema and metabolic acidosis, which can result in upper airway obstruction requiring immediate airway stabilization. Furthermore, a better understanding of the clinical epidemiology of suicide attempts could aid in the early identification of people that use opioids and are at high risk of suicide, as well as the development of suicide prevention strategies for this vulnerable population.
Molecular Ln(III)−H−E(II) Linkages (Ln=Y, Lu; E=Ge, Sn, Pb)
Authors: Widemann Max , Aicher Frederik S. W. , Bonath Martin , Eichele Klaus , Maichle‐Mössmer Cäcilia , Schubert Hartmut , Sirsch Peter , Anwander Reiner , Wesemann Lars
Published: May 2022

Following the alkane‐elimination route, the reaction between tetravalent aryl tintrihydride Ar*SnH3 and trivalent rare‐earth‐metallocene alkyls [Cp*2Ln(CH{SiMe3}2)] gave complexes [Cp*2Ln(μ‐H)2SnAr*] implementing a low‐valent tin hydride (Ln=Y, Lu; Ar*=2,6‐Trip2C6H3, Trip=2,4,6‐triisopropylphenyl). The homologous complexes of germanium and lead, [Cp*2Ln(μ‐H)2EAr*] (E = Ge, Pb), were accessed via addition of low‐valent [(Ar*EH)2] to the rare‐earth‐metal hydrides [(Cp*2LnH)2]. The lead compounds [Cp*2Ln(μ‐H)2PbAr*] exhibit H/D exchange in reactions with deuterated solvents or dihydrogen.
Synthesis of 2,2‐Disubstituted 2H‐Chromenes through Carbon‐Carbon Bond Formation Utilizing a [1,2]‐Phospha‐Brook Rearrangement under Brønsted Base Catalysis
Authors: Kondoh Azusa , Terada Masahiro
Published: May 2022

A new methodology for the synthesis of 2,2‐disubstituted 2H‐chromenes was developed by utilizing the [1,2]‐phospha‐Brook rearrangement under Brønsted base catalysis. Phosphazene P2‐tBu efficiently catalyzed the addition reaction of 4H‐chromen‐4‐ols containing a diethoxyphosphoryl group with α,β‐unsaturated ketones, which involved the catalytic generation of a carbanion through the [1,2]‐phospha‐Brook rearrangement and subsequent conjugate addition at the 2‐position to afford adducts possessing an alkenylphosphate moiety in a highly diastereoselective manner. Further transformation of the adducts based on a nickel‐catalyzed cross‐coupling reaction with arylzinc reagents provided densely functionalized 2,2‐disubstituted 2H‐chromenes.
Ammonia Borane, NH3BH3: A Threshold Photoelectron–Photoion Coincidence Study of a Potential Hydrogen‐Storage Material
Authors: Schleier Domenik , Gerlach Marius , Pratim Mukhopadhyay Deb , Karaev Emil , Schaffner Dorothee , Hemberger Patrick , Fischer Ingo
Published: May 2022

We have investigated the photoionization of ammonia borane (AB) and determined adiabatic ionization energy to be 9.26±0.03 eV for the X+ 2E←X 1A1 transition. Although the threshold photoelectron spectrum appears at first glance to be similar to the one of the isosteric ethane, the electronic situation differs markedly, due to different orbital energies. In addition, an appearance energy AE0K(NH3BH3, NH3BH2+)= 10.00±0.03 eV has been determined, corresponding to the loss of a hydrogen atom at the BH3‐site. From the data, a 0 K bond dissociation energy for the B−H bond in the cation of 71.5±3 kJ mol−1 was derived, whereas the one in the neutral compound has been estimated to be 419±10 kJ mol−1.
Prognostic value of RDW alone and in combination with NT‐proBNP in patients with heart failure
Authors: Liang Lin , Huang Liyan , Zhao Xuemei , Zhao Lang , Tian Pengchao , Huang Boping , Feng Jiayu , Zhang Jian , Zhang Yuhui
Published: May 2022

Background

Red blood cell distribution width (RDW) and N‐terminal pro brain natriuretic peptide (NT‐proBNP) may predict the prognosis of heart failure (HF). However, the impact of combined RDW and NT‐proBNP levels as a prognostic marker of HF remains unclear and the significance of this combination at various time‐points has not been sufficiently studied.

Hypothesis

RDW can predict prognosis in HF at various time‐points and combination with NT‐proBNP improves the prognostic value.

Methods

Patients admitted to HF care unit of Fuwai Hospital CAMS&PUMC (Beijing, China) with a diagnosis of HF from November 2008 to November 2018 were analyzed retrospectively.

Results

In total, 3231 patients with available RDW data at admission were evaluated (median age 58 years, 71.9% males, 39.7% coronary heart disease, 68.6% New York Heart Association [NYHA] III or IV). Median RDW and NT‐proBNP at admission were 13.4% (interquartile range [IQR]: 12.7%–14.5%), and 1723.00 pg/ml (IQR: 754.00–4006.25 pg/ml), respectively. During 2.9‐year median follow‐up, all‐cause death occurred in 1075 (33.27%) patients. Kaplan–Meier survival curve and Cox proportional‐hazard models, showed patients in the top quarter RDW had a 32.0% increased mortality compared to the bottom quarter (hazard ratio: 4.39, 95% confidence interval: 3.59–5.38; p <.001). The top quarter RDW retained independent prognostic value across HF with reduced ejection fraction [HFrEF], HF with mid‐range ejection fraction [HFmrEF], and HF with preserved ejection fraction [HFpEF] subgroups. Patients were subsequently divided into four groups by median RDW and NT‐proBNP. Comparison of Kaplan–Meier survival curves for various groups showed good risk stratification (p < .001).

Conclusions

RDW is an independent predictor of mortality among patients with HF in the short‐, medium‐, and long‐term. Combination of RDW and NT‐proBNP improves the prognostic value. This is true across all clinical subtypes of heart failure (HFrEF, HFmrEF, HFpEF), and among most subgroups of patients with various comorbidities (infection, diabetes, hypertension).
The brain of the tree pangolin (Manis tricuspis). IX. The pallial telencephalon
Authors: Imam Aminu , Bhagwandin Adhil , Ajao Moyosore S. , Manger Paul R.
Published: May 2022

A cyto‐, myelo‐, and chemoarchitectonic analysis of the pallial telencephalon of the tree pangolin is provided. As certain portions of the pallial telencephalon have been described previously (olfactory pallium, hippocampal formation, and amygdaloid complex), we focus on the claustrum and endopiriform nuclear complex, the white matter and white matter interstitial cells, and the areal organization of the cerebral cortex. Our analysis indicates that the organization of the pallial telencephalon of the tree pangolin is similar to that observed in many other mammals, and specifically quite similar to the closely related carnivores. The claustrum of the tree pangolin exhibits a combination of insular and laminar architecture, while the endopiriform nuclear complex contains three nuclei, both reminiscent of observations made in other mammals. The population of white matter interstitial cells resembles that observed in other mammals, while a distinct laminated organization of the intracortical white matter was revealed with parvalbumin immunostaining. The cerebral cortex of the tree pangolin presented with indistinct laminar boundaries as well as pyramidalization of the neurons in both layers 2 and 4. All cortical regions typically found in mammals were present, with the cortical areas within these regions often corresponding to what has been reported in carnivores. Given the similarity of the organization of the pallial telencephalon of the tree pangolin to that observed in other mammals, especially carnivores, it would be reasonable to assume that the neural processing afforded the tree pangolin by these structures does not differ dramatically to that of other mammals.
Plasmon Mediated Electron Transfer and Temperature Dependent Electron‐Phonon Scattering in Gold Nanoparticles Embedded in Dielectric Films
Authors: Ghorai Nandan , De Goutam , Ghosh Hirendra N.
Published: May 2022

Excitation of localized surface plasmon resonance in metal nanoparticles (NPs) embedded in a glassy matrix generates hot electrons, which can be extracted for different optoelectronic applications. The insights of plasmon relaxation dynamics with varying surrounding dielectric environments and temperature dependence electron‐phonon scattering process in gold (Au) NPs are still not very clear. Here, we have employed ultrafast transient absorption (TA) spectroscopy to explore the hot plasmon mediated electron transfer (PMET) and electron‐phonon dynamics of photo‐excited Au NPs in glassy film matrix with variable SiO2/TiO2 compositions at cryogenic (5 K) to room temperature (300 K). Herein, we have chosen two pump excitation wavelengths (400 and 700 nm). The 400 nm excitation (d→sp) generates hot electron and the 700 nm excitation (sp→sp) provide information of direct plasmon relaxation. Drastic reduction of the transient signal of Au NPs in the high TiO2 content film as compared to pure SiO2 confirm hot electron transfer (HET) from Au plasmon to TiO2. Electron‐phonon scattering time constant (τe‐ph) of Au NPs in the glassy film is found to be faster in presence of TiO2 due to facile electron transfer/injection. Temperature dependent TA studies suggest that electron‐phonon scattering time decreases with temperature. These findings would assist to develop more advanced photo‐voltaic, opto‐electronic and quantum optic‐based devices using the plasmonic metal NPs.
A Study of the Functionalisation of BOPYIN Dyes: Synthesis and Photophysical Properties**
Authors: Liu Debao , Wang Xuan , Zhou Yongzhu , Hu Cong , Su Peng , Yan Jiaying , Zhang Nuonuo
Published: May 2022

Borondifluoride‐3,3‐dimethyl‐2‐[2‐(2‐pyrrolyl) ethenyl] indole (BOPYIN), a seven‐membered, nonplanar boron complex, features typical photophysical properties, such as relatively large Stokes shift. Herein, a series of BOPYINs are prepared by a two‐step, one‐flask synthesis. Based on the modification position, these derivatives could be divided into three sections, including withdrawing substituted dyes, dyes with donating substitution on the pyrrole unit, and dyes with further π‐enlarged substitution on indole unit. The relationship between diverse modified structures and photophysical properties are systematically discussed by experiments and DFT calculations. This work illustrates that donating‐group modifications on pyrrole and π‐enlargement on the indole unit may promote the red shift of the photophysical spectra synergistically.
Preparation and Characterization of Orthorhombic AgMn Alloys by the Pulsed Laser Welding Technique
Authors: Khanfar Hazem K. , Qasrawi A. F.
Published: May 2022

Herein, AgMn alloys are prepared by the pulsed laser welding technique in an argon atmosphere. The effect of the laser pulses width and stoichiometric composition of the alloys on the structural, compositional, morphological, and electrical properties are investigated. In contrast to the traditional preparation techniques which reveal cubic structure of AgMn alloys, the pulsed laser welding technique reveals the orthorhombic phase of the alloys. The lattice parameters of the orthorhombic phase of AgMn are . It is observed that pulse widths of 50 ms are the optimum from preparing these alloys. From an electrical point of view, the AgMn alloys exhibit negative dielectric constant and negative conductance effect in the microwave frequency domain. The impedance spectroscopy analyses in the frequency domain of 0.01–1.80 GHz have shown that AgMn alloys can be employed as band filters with return loss value of ≈16 dB. The features of the AgMn alloys which are achieved by the pulsed laser welding technique nominate them for use as negative capacitance and negative conductance transistors. These devices are suitable for noise reduction and parasitic capacitance cancellation.
Fgf8 dosage regulates jaw shape and symmetry through pharyngeal‐cardiac tissue relationships
Authors: Zbasnik Nathaniel , Dolan Katie , Buczkowski Stephanie A. , Green Rebecca M. , Hallgrímsson Benedikt , Marcucio Ralph S. , Moon Anne M. , Fish Jennifer L.
Published: May 2022

Background

Asymmetries in craniofacial anomalies are commonly observed. In the facial skeleton, the left side is more commonly and/or severely affected than the right. Such asymmetries complicate treatment options. Mechanisms underlying variation in disease severity between individuals as well as within individuals (asymmetries) are still relatively unknown.

Results

Developmental reductions in fibroblast growth factor 8 (Fgf8) have a dosage dependent effect on jaw size, shape, and symmetry. Further, Fgf8 mutants have directionally asymmetric jaws with the left side being more affected than the right. Defects in lower jaw development begin with disruption to Meckel's cartilage, which is discontinuous. All skeletal elements associated with the proximal condensation are dysmorphic, exemplified by a malformed and misoriented malleus. At later stages, Fgf8 mutants exhibit syngnathia, which falls into two broad categories: bony fusion of the maxillary and mandibular alveolar ridges and zygomatico‐mandibular fusion. All of these morphological defects exhibit both inter‐ and intra‐specimen variation.

Conclusions

We hypothesize that these asymmetries are linked to heart development resulting in higher levels of Fgf8 on the right side of the face, which may buffer the right side to developmental perturbations. This mouse model may facilitate future investigations of mechanisms underlying human syngnathia and facial asymmetry.
Water Oxidation by a Neoteric Dinuclear Mn(II) Electrocatalyst in Aqueous Medium
Authors: Raj Manaswini , Padhi Sumanta Kumar
Published: May 2022

The employment of manganese complexes towards electrocatalytic water oxidation has gained immense interest among the scientific communities. In this present study, the reaction of Mn(CH3COO)2⋅4H2O with the novel ligand (2‐([2,2′:6′,2“‐terpyridin]‐4′‐yl)quinoline‐8‐ol) (8hq‐tpy) affords a dinuclear manganese complex, [MnII(8hq‐tpy)(H2O)]2(PF6)2 (Mn 1). Various spectroscopic techniques have been implemented for characterization purposes, and Mn 1 is employed as electrocatalysts towards water oxidation catalysis in the aqueous medium. Electrocatalytic responses in the aqueous medium at pH 6.0 lead to the electrodeposition of heterogeneous species (MnOX) which enables the oxidation event at an applied potential of 1.24 V vs. NHE with O2 liberation of 50.2 μmol/L. The XPS analysis performed after executing bulk electrolysis, provide evidence for the generation of MnIV=O as the active species formed by the catalyst precursor complex Mn 1, contributing to O2 evolution during the electrocatalytic water oxidation process.
Experimental modeling and optimization of melanin production by Aureobasidium pullulansNBRC 100716 in carrot peel extract
Authors: Müjdeci Gamze Nur
Published: May 2022

The objective of this study was to optimize the fermentation parameters by using Response Surface Methodology for increasing melanin production in carrot peel extract by Aureobasidium pullulans NBRC 100716. The optimum conditions for melanin production by A. pullulans NBRC 100716 in carrot peel extract were determined as; the initial pH of the fermentation medium: 5.9, temperature: 29.9°C, agitation rate: 120 rpm, and fermentation time: 15 days. The estimated intracellular (Y1), extracellular (Y2), and total (Y3) melanin concentrations in optimum conditions were 2.44 ± 0.05, 1.95 ± 0.47, and 4.22 ± 0.74 g/L, respectively. As a result of confirmation experiments, the observed values of Y1, Y2, and Y3 were 2.23, 1.83, and 4.06 g/L, respectively. The optimization of melanin production conditions by A. pullulans NBRC 100716 caused an almost one‐fold increase in total melanin concentration. Besides, using carrot peel extract as an inexpensive substrate source for the production of high value‐added melanin, the optimization of the fermentation conditions is beneficial for the production of this product.
Data‐driven modelling of joint debris flow release susceptibility and connectivity
Authors: Steger Stefan , Scorpio Vittoria , Comiti Francesco , Cavalli Marco
Published: May 2022

In mountain basins, sediment supply to the fluvial system occurs mainly through episodic geomorphic processes—such as debris flows and other landslide types—whose effectiveness is strongly influenced by the structural connectivity within a catchment. This paper presents a novel data‐driven approach to identify and map areas that are simultaneously susceptible to debris flow initiation and structurally connected to the main channel network (i.e. relevant sediment source areas for predicting and mitigating flood hazards in the river channels). The presented approach comprises: (i) the visual interpretation, delineation, mapping and classification of event‐specific connected and disconnected debris flow areas in three catchments of the Italian Alps; (ii) the development of data‐driven debris flow release susceptibility models that are combined with quantitatively classified index of connectivity (IC) maps; and (iii) a thorough evaluation of the approach, including an assessment of its spatial transferability across the catchments. The main results show: (i) quantitative IC thresholds to discriminate connected from disconnected debris flow release areas; (ii) statistically well‐performing and geomorphically plausible debris flow release susceptibility models for the three basins; (iii) diverse joint debris flow connectivity–susceptibility maps that allow identifying zones which are differently relevant in terms of debris flow connectivity. This work also highlights the spatial transferability of the approach, associated benefits and potential drawbacks, as well as the utmost importance of a thorough combined quantitative and qualitative (i.e. geomorphic plausibility) evaluation of the underlying results. The proposed approach is rather simple and requires few basic input data, and can therefore be applied over vast areas (e.g. to support regional‐scale hazard assessments or sediment management plans).
Strong selective environments determine evolutionary outcome in time-dependent fitness seascapes
Authors: Cairns Johannes , Borse Florian , Mononen Tommi , Hiltunen Teppo , Mustonen Ville
Published: May 2022

The impact of fitness landscape features on evolutionary outcomes has attracted considerable interest in recent decades. However, evolution often occurs under time-dependent selection in so-called fitness seascapes where the landscape is under flux. Fitness seascapes are an inherent feature of natural environments, where the landscape changes owing both to the intrinsic fitness consequences of previous adaptations and extrinsic changes in selected traits caused by new environments. The complexity of such seascapes may curb the predictability of evolution. However, empirical efforts to test this question using a comprehensive set of regimes are lacking. Here, we employed an in vitro microbial model system to investigate differences in evolutionary outcomes between time-invariant and time-dependent environments, including all possible temporal permutations, with three subinhibitory antimicrobials and a viral parasite (phage) as selective agents. Expectedly, time-invariant environments caused stronger directional selection for resistances compared to time-dependent environments. Intriguingly, however, multidrug resistance outcomes in both cases were largely driven by two strong selective agents (rifampicin and phage) out of four agents in total. These agents either caused cross-resistance or obscured the phenotypic effect of other resistance mutations, modulating the evolutionary outcome overall in time-invariant environments and as a function of exposure epoch in time-dependent environments. This suggests that identifying strong selective agents and their pleiotropic effects is critical for predicting evolution in fitness seascapes, with ramifications for evolutionarily informed strategies to mitigate drug resistance evolution.
Directly pricing VIX futures with observable dynamic jumps based on high‐frequency VIX
Authors: Jiang Gongyue , Qiao Gaoxiu , Ma Feng , Wang Lu
Published: May 2022

This paper proposes to study volatility index (VIX) futures pricing by directly modeling the logarithmic VIX while incorporating observable dynamic jumps of the VIX, which are derived based on VIX high‐frequency data. The impacts of several different interday and intraday jump tests for VIX futures prices are investigated. We obtain the analytical expression by deducing the forward iteration relations of the lagged logarithm VIX, as well as the conditional variance and jump intensity, and use the maximum likelihood method to estimate the parameters under the risk‐neutral measure. The empirical results prove the superiority of our newly proposed model (especially the model based on the LM jump test), which indicates that considering the heteroscedasticity effect of conditional variance, introducing VIX high‐frequency data information and separating realized jump variation from the realized variance are very important to obtain much more accurate VIX futures pricing.
A club model of nature-smart agriculture for biodiversity, climate, and productivity enhancements
Authors: Omer Amani
Published: May 2022

This article considers horizontal and vertical intensification interactions between environmental conservation and agricultural production to investigate a top–down partnership in agriculture. It addresses the issues underlying the challenge of food security. It explores a nature-based landscape approach to agriculture management that simultaneously ensures food security and safeguards the natural environment. The economic theory of clubs is applied to extend farm-level sustainable agricultural intensification and conservation practices to encompass interconnected activities within the entire landscape. A theoretical ecological-economic club model is used to explore how biodiversity and climate-related environmental goods and agricultural products are coproduced by private producers in agroecosystems of any spatial scale. The model considers any given agroecosystem as a club producing two goods: private economic output and public ecological output. It also proposes a dual environmental incentive approach to promote participants' individual and collaborative efforts. The model derives (a) the social conditions for the optimal application and allocation of resources for producing sustainable agricultural and ecological outputs and (b) the producer's incentive conditions for adequate levels of individual and collaborative conservation activities. Thus, the study identifies conditions that optimize horizontal and vertical agri-environmental farming intensification while preventing crowding out voluntary conservation activities. The model presented here can set a theoretical “benchmark” model to address real-life deviations comparatively. A practical proposition derived from the analysis points to the possibility that farm-scale conservation (of biodiversity and climate-related attributes), when extended to the landscape level, can optimally enhance the interconnected goals of agri-environmental farming. Thus, a data-driving methodology is described to outline a practical approach to the agricultural transition toward landscape conservation, a practical guide for policymakers and regulators who need to develop and provide tailor-made support to agricultural producer members of the club. Integr Environ Assess Manag 2023;19:412–421. © 2022 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).
Dysbiosis of gut microbiota and intestinal damage in mice induced by a single intravenous exposure to CdTe quantum dots at low concentration
Authors: Li Xiaohui , Wei Huan , Hu Yun , Lv Yangfan , Weng Lixing , Teng Zhaogang , Yuwen Lihui , Wang Lianhui
Published: May 2022

Although quantum dots (QDs) have shown great potential for various biomedical applications, their potential toxicity still needs to be comprehensively investigated. Previous studies showed that intravenous exposure of CdTe QDs at low concentration did not lead to obvious in vivo toxicity in the long term. However, the influence of CdTe QDs on the gut microbiota and the intestine is still unknown. Here, we explored whether single intravenous injection of CdTe QDs at low concentration can affect the gut microbiota and intestine of mice in short term. The results showed that CdTe QDs caused an imbalance of gut microbiota, especially the rapid increase in Lactobacillus on day 1 post‐treatment. Meanwhile, the intestine exhibited the promotion of oxidative stress, inflammatory response, and hemorrhaging on days 5 and 15. These results demonstrate that the gut microbiota and the intestine are very sensitive to the toxicity of low‐concentration CdTe QDs. This study provides further insight and method for the biosafety evaluation of nanomaterials.
MALT1 positively relates to Th17 cells, inflammation/activity degree, and its decrement along with treatment reflects TNF inhibitor response in ankylosing spondylitis patients
Authors: Yuan Jie , Xiang Lei , Wang Feng , Zhang Lin , Liu Gaozhan , Chang Xiuli , Zhang Anbing , Tao Ying
Published: May 2022

Background

Mucosa‐associated lymphoid tissue lymphoma translocation protein 1 (MALT1) facilitates CD4+ T‐cell differentiation, immune response, inflammation, and osteoclastogenesis. This study aimed to explore the relation between MALT1 and treatment efficacy to tumor necrosis factor inhibitor (TNFi) in ankylosing spondylitis (AS) patients.

Methods

This study recruited 73 AS patients underwent adalimumab treatment. Peripheral blood mononuclear cell (PBMC) was obtained at Week (W) 0, W4, W8, and W12 after treatment initiation; then, MALT1 was measured using RT‐qPCR. Furthermore, PBMC and serum at W0 were proposed to flow cytometry and ELISA for Th1 cells, Th17 cells, IFN‐γ, and IL‐17A levels measurement. Besides, 20 osteoarthritis patients and 20 healthy controls (HCs) were enrolled to detect MALT1.

Results

Mucosa‐associated lymphoid tissue lymphoma translocation protein 1 expression was higher in AS patients compared with HCs (p < 0.001) and osteoarthritis patients (p < 0.001). Besides, MALT1 expression was positively linked with CRP (p = 0.002), BASDAI (p = 0.026), PGADA (p = 0.040), ASDASCRP (p = 0.028), Th17 cells (p = 0.020), and IL‐17A (p = 0.017) in AS patients, but did not relate to other clinical features, Th1 cells or IFN‐γ (all p>0.050). MALT1 was decreased along with treatment only in AS patients with ASAS40 response (p < 0.001), but not in those without ASAS40 response (p = 0.064). Notably, MALT1 expression was of no difference at W0 (p = 0.328), W4 (p = 0.280), and W8 (p = 0.080), but lower at W12 (p = 0.028) in AS patients with ASAS40 response compared with those without ASAS40 response.

Conclusion

Mucosa‐associated lymphoid tissue lymphoma translocation protein 1 positively correlates with Th17 cells, inflammatory, and activity degree; meanwhile, its decrement along with treatment reflects the response to TNF inhibitor in AS patients.
Correlation of small nucleolar RNA host gene 16 with acute respiratory distress syndrome occurrence and prognosis in sepsis patients
Authors: Zhang Chengju , Huang Qinghe , He Fuyun
Published: May 2022

Background

Long noncoding RNA small nucleolar RNA host gene 16 (lnc‐SNHG16) regulates sepsis‐induced acute lung injury and inflammation, which is involved in the pathophysiology of acute respiratory distress syndrome (ARDS). The present study intended to explore the role of lnc‐SNHG16 as a potential biomarker indicating ARDS risk, disease severity, inflammation, and mortality in sepsis.

Methods

Peripheral blood mononuclear cell (PBMC) samples were collected from 160 sepsis patients within 24 hours after admission and 30 healthy controls (HCs). Then, lnc‐SNHG16 in PBMCs was detected by reverse transcription‐quantitative polymerase chain reaction. Sepsis patients were followed up until death or up to 28 days.

Results

lnc‐SNHG16 was declined in sepsis patients compared with HCs (p < 0.001). The incidence of ARDS was 27.5% among sepsis patients; meanwhile, sepsis patients with ARDS had higher mortality than those without ARDS (p < 0.001). Furthermore, lnc‐SNHG16 was declined in sepsis patients with ARDS compared to those without ARDS (p < 0.001); besides, higher lnc‐SNHG16 was independently correlated with declined ARDS occurrence in sepsis patients (p = 0.001), while primary respiratory infection and higher CRP were independently correlated with elevated ARDS occurrence in sepsis patients (both p < 0.05). Moreover, a negative correlation was found in lnc‐SNHG16 with history of diabetes, history of chronic obstructive pulmonary disease, and APACHE II and SOFA scores (all p < 0.05). Additionally, lnc‐SNHG16 was declined in sepsis deaths compared with survivors (p = 0.002), while it was not independently linked with sepsis mortality.

Conclusion

lnc‐SNHG16 correlates with lower ARDS occurrence and better prognosis in sepsis patients.
Adapting narrative exposure therapy with a tribal community: A community‐based approach
Authors: Bedard‐Gilligan Michele , Kaysen Debra , Cordero Rebeca Marin , Huh David , Walker Denise , Kaiser‐Schauer Elisabeth , Robjant Katy , Saluskin Kathy , Pearson Cynthia
Published: May 2022

Objective

American Indian (AI) individuals are at increased risk for present‐day trauma exposure and associated negative outcomes, as well as ongoing effects of intergenerational trauma exposure and adversity. However, few empirically supported treatments exist that are specifically tailored and/or tested with AI communities. This study describes the process of selecting, adapting, and implementing narrative exposure therapy (NET) with an AI community.

Methods

A community and academic partnership was formed and worked together to make culturally mindful changes to NET to best fit the needs of the community. The partnership incorporated community leaders/Elders (n = 7), providers (n = 11), and participants seeking treatment (n = 50) to implement an iterative process of adapting and implementing the adapted form of NET.

Results

Key adaptions included addressing historical and intergenerational trauma, greater protections for confidentiality in a small community, and incorporation of cultural customs and traditions. Overall, the adapted form of NET was favorably received by the participants, and the implementation appeared to be feasible, with improved retention over past trials of adapted trauma‐focused treatments with this community and with highly positive satisfaction ratings and feedback.

Conclusions

NET was shown to be an appropriate approach for this AI community and should be considered as a treatment option for other AI communities. Future work should consider strategies outlined in this adaption as well as following a similar process for working with AI communities to implement culturally appropriate interventions for trauma‐related symptoms.