bluuebunny/crossref_metadata_2025 huggingface dataset:
A computational study on the nature, strength and cooperativity of bonds in [M(η5–C60Me5)(CO)n] and [M(η5–Cp)(CO)n] (n = 3, M = Mn(i), Tc(i), Re(i); n = 2, M = Co(i), Rh(i), Ir(i)) complexes
Authors: Hokmi Samaneh , Salehzadeh Sadegh , Gholiee Yasin
Published: January 2022

It is shown that, due to cooperativity versus anticooperativity of bonds, the total interaction energy of a complex, having weaker metal–ligand bonds, can be comparable to or even larger than that of a similar complex having stronger bonds.
UiO-67 metal–organic framework immobilized Fe3+ catalyst for efficient Morita–Baylis–Hillman reaction
Authors: Zhao Yuzhen , Zhu Min , Shang Hailing , Cheng Yang , Ramella Daniele , Zhu Kaicheng , Luan Yi
Published: January 2022

Fe3+ immobilized ions/pyridine Lewis acid/base pair in UiO-67 metal–organic frameworks as an efficient catalytic system for the Morita–Baylis–Hillman reaction.
Converting CO2 into heterocyclic compounds under accelerated performance through Fe3O4-grafted ionic liquid catalysts
Authors: Vishwakarma Niraj K. , Singh Shikha , Vishwakarma Sambhav , Sahi Ajay Kumar , Patel Vijay Kumar , Kant Shiva , Mahto Sanjeev Kumar
Published: January 2022

Solid supported catalysts such as amines are in high demand for the chemical fixation of CO2 into commodity chemicals.
Correction: TiO2/g-C3N4 heterojunction hollow porous nanofibers as superior visible-light photocatalysts for H2 evolution and dye degradation
Authors: Liu Jing , Li Dianming , Liu Xiaofeng , Zhou Jie , Zhao Hong , Wang Nü , Cui Zhimin , Bai Jie , Zhao Yong
Published: January 2022

Correction for ‘TiO2/g-C3N4 heterojunction hollow porous nanofibers as superior visible-light photocatalysts for H2 evolution and dye degradation’ by Jing Liu et al., New J. Chem., 2021, 45, 22123–22132, DOI: 10.1039/d1nj04390k.
Antifungal mono- and dimeric nitrogenous bisabolene derivatives from a sponge in the order Bubarida from Futuna Islands
Authors: Miguel-Gordo Maria , Reddy Maggie M. , Sánchez Pilar , Buckley Jordan J. , Mackenzie Thomas A. , Jennings Laurence K. , Reyes Fernando , Calabro Kevin , Thomas Olivier P.
Published: January 2022

Ten nitrogenous bisabolene derivatives where isolated and structurally characterised from a Bubarida sponge collected in Futuna islands. An isocyanide bisabolene dimer showed potent antifungal activity.
Cross dehydrogenation coupling reaction of purine derivatives with thioethers
Authors: Li Xinjie , Qi Peng , Du Hongguang
Published: January 2022

A metal-free cross-dehydrogenation coupling method was established to synthesize N9 alkylated purine derivatives.
Thermally induced disassembly mechanism of pseudo-polyrotaxane nanosheets consisting of β-CD and a poly(ethylene oxide)-b-poly(propylene oxide)-b-poly(ethylene oxide) triblock copolymer
Authors: Ando Naoki , Uenuma Shuntaro , Yokoyama Hideaki , Ito Kohzo
Published: January 2022

PPRNSs dissolved in two steps during heating owing to the anisotropy of the topological constraint of β-CD by axis polymers.
Poly(l-lactide)s with tetraphenylethylene: role of polymer chain packing in aggregation-induced emission behavior of tetraphenylethylene
Authors: Virat G. , Gowd E. Bhoje
Published: January 2022

The AIE behavior of tetraphenylethylene in biocompatible poly(l-lactide)s is found to be sensitive to the polymer chain packing, polymer crystal structure, solvent, and temperature.
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties
Authors: Yuan Kang , Volland Daniel , Kirschner Sven , Uzelac Marina , Nichol Gary S. , Nowak-Król Agnieszka , Ingleson Michael J.
Published: January 2022

An enhanced N-directed electrophilic C–H borylation methodology has been developed that provides access to azaborine containing helicenes.
The contribution of biomass and waste resources to decarbonizing transportation and related energy and environmental effects
Authors: Oke Doris , Dunn Jennifer B. , Hawkins Troy R.
Published: January 2022

Analyzed the extent to which biomass can contribute to the decarbonization of transportation as electrification of the light-duty fleet increases.
Understanding topological defects in fluidized dry active nematics
Authors: Palmer Bryce , Chen Sheng , Govan Patrick , Yan Wen , Gao Tong
Published: January 2022

Dense assemblies of self-propelling rods (SPRs) may exhibit fascinating collective behaviors and anomalous physical properties that are far away from equilibrium.
Collective motion of cells modeled as ring polymers
Authors: Wen Haosheng , Zhu Yu , Peng Chenhui , Kumar P. B. Sunil , Laradji Mohamed
Published: January 2022

A coarse-grained model of disjoint ring polymers is introduced to systematically investigate the collective motion of living cells as a function of motility force, cells density and cells shape.
1,5-Diaminotetrazole-4N-oxide (SYX-9): a new high-performing energetic material with a calculated detonation velocity over 10 km s−1
Authors: Yocca Sebastian R. , Zeller Matthias , Byrd Edward F. C. , Piercey Davin G.
Published: January 2022

Highly-energetic 1,5-diaminotetrazole-4N-oxide (SYX-9) was synthesized and characterized physically, chemically, and energetically.
Delicate crystallinity control enables high-efficiency P3HT organic photovoltaic cells
Authors: Xian Kaihu , Liu Yang , Liu Junwei , Yu Jinde , Xing Yifan , Peng Zhongxiang , Zhou Kangkang , Gao Mengyuan , Zhao Wenchao , Lu Guanghao , Zhang Jidong , Hou Jianhui , Geng Yanhou , Ye Long
Published: January 2022

The time-dependent evolution of a P3HT:nonfullerene blend was revealed during annealing. The optimal blend gives 10.7%, which breaks the 10% benchmark for P3HT-solar cells.
Asymmetric sky-blue thermally-activated delayed fluorescence emitters bearing tris(triazolo)triazine moiety for solution-processable organic light-emitting diodes
Authors: Fang Zhou , Wang Shengyue , Liao Junxu , Chen Xinrui , Zhu Yuanyuan , Zhu Weiguo , Wang Yafei
Published: January 2022

Two sky-blue TADF emitters bearing the tris(triazolo)triazine acceptor moiety were designed and synthesized. The solution-processed OLEDs based on these two emitters achieved a maximum EQE of 10.01% at 474 nm.
Overexpression of NMNAT3 improves mitochondrial function and enhances antioxidative stress capacity of bone marrow mesenchymal stem cells via the NAD+-Sirt3 pathway
Authors: Wang Tao , Zhang Fei , Peng Wuxun , Wang Lei , Zhang Jian , Dong Wentao , Tian Xiaobin , Ye Chuan , Li Yanlin , Gong Yuekun
Published: January 2022

Oxidative stress damage is a common problem in bone marrow mesenchymal stem cell (BMSC) transplantation. Under stress conditions, the mitochondrial function of BMSCs is disrupted, which accelerates senescence and apoptosis of BMSCs, ultimately leading to poor efficacy. Therefore, improving mitochondrial function and enhancing the antioxidative stress capacity of BMSCs may be an effective way of improving the survival rate and curative effect of BMSCs. In the present study, we have confirmed that overexpression of nicotinamide mononucleotide adenylyl transferase 3 (NMNAT3) improves mitochondrial function and resistance to stress-induced apoptosis in BMSCs. We further revealed the mechanism of NMNAT3-mediated resistance to stress-induced apoptosis in BMSCs. We increased the level of nicotinamide adenine dinucleotide (NAD+) by overexpressing NMNAT3 in BMSCs and found that it could significantly increase the activity of silent mating type information regulation 2 homolog 3 (Sirt3) and significantly decrease the acetylation levels of Sirt3-dependent deacetylation-related proteins isocitrate dehydrogenase 2 (Idh2) and Forkhead-box protein O3a (FOXO3a). These findings show that NMNAT3 may increase the activity of Sirt3 by increasing NAD+ levels. Our results confirm that the NMNAT3-NAD+-Sirt3 axis is a potential mechanism for improving mitochondrial function and enhancing antioxidative stress capacity of BMSCs. In the present study, we take advantage of the role of NMNAT3 in inhibiting stress-induced apoptosis of BMSCs and provide new methods and ideas for breaking through the bottleneck of transplantation efficacy of BMSCs in the clinic.
H2O2 down-regulates SIRT7’s protective role of endothelial premature dysfunction via microRNA-335-5p
Authors: Liu Yixin , Yang Jinyu , Yang Xi , Lai Peng , Mou Yi , Deng Juelin , Li Xinyi , Wang Hui , Liu Xiaolei , Zhou Lixing , Deng Linghui , Xu Ziqi , Xiao Chun , Dong Birong
Published: January 2022

Endothelial senescence is believed to constitute the initial pathogenesis of the atherosclerotic cardiovascular disease (ASCVD). MicroRNA-335-5p (miR-335-5p) expression is significantly up-regulated in oxidative stress-induced endothelial cells (ECs). Sirtuin7 (SIRT7) is considered to prevent EC senescence, yet data on its response to ASCVD risk factors are limited. The present study analyzed the elevated levels of miR-335-5p and the decreased levels of SIRT7 in human umbilical vein endothelial cells (HUVECs), and found that high glucose, tumor necrosis factor-α (TNF-α), and H2O2 are the three contributing factors that induced cellular senescence. The current study also assessed premature endothelial senescence and decreased proliferation, adhesion, migration, and nitric oxide (NO) secretion in HUVECs with these risk factors together with SIRT7–siRNA transfection. It found that the miR-335-5p inhibitor attenuated the down-regulation of SIRT7 expression induced by oxidative stress in HUVECs, and SIRT7 overexpression exerts a rescue effect against miR-335-5p-induced endothelial dysfunction. Furthermore, the direct binding of miR-335-5p to SIRT7 was observed in human embryonic kidney cells 293T (HEK 293T). Therefore, it can be inferred that miR-335-5p down-regulates the expression of SIRT7 in human cells. Current findings may provide deeper insights into the underlying mechanisms of endothelial senescence and potential therapeutic targets of ASCVD as well as other age-related diseases.
Tandem mass tag-based proteomics analysis of type 2 diabetes mellitus with non-alcoholic fatty liver disease in mice treated with acupuncture
Authors: Wang Guan , Li Mengyuan , Yu Shuo , Guan Mengqi , Ma Shiqi , Zhong Zhen , Guo Yihui , Leng Xiangyang , Huang Haipeng
Published: January 2022

Objective: To explore the proteomics profiles of hepatocytes of mice treated with acupuncture for type 2 diabetes mellitus (T2DM) with non-alcoholic fatty liver disease (NAFLD). Methods: We used a Tandem mass tag (TMT)-based quantitative proteomics approach to identify proteins with potential molecular mechanisms associated with acupuncture interventions for T2DM with NAFLD. Results: Acupuncture effectively improved body weight, blood glucose, and insulin levels in T2DM with NAFLD mouse models and reversed steatosis within hepatocytes. Quantitative TMT-based proteomics analysis identified a total of 4710 quantifiable proteins and 1226 differentially expressed proteins (DEPs) in the model control group (MCG) compared with the normal control group (NCG). The Acupuncture Treatment Group (ATG) presented in 122 DEPs was compared with the MCG group. We performed a bioinformatics analysis, which revealed that DEPs enriched in the KEGG pathway after acupuncture treatment were mainly involved in the PPAR signaling pathway, fatty acid biosynthesis, fatty acid metabolism, fatty acid elongation, fat digestion and absorption. We used parallel reaction monitoring (PRM) technology to explore the association of aldehyde oxidase 1 (Aox1), acyl-coenzyme A thioesterase 2 (Acot2), perilipin-2 (Plin2), acetyl-CoA carboxylase 1 (Acc), NADP-dependent malic enzyme (Me1), fatty acid synthase (Fasn), ATP-citrate synthase (Acly), fatty acid-binding protein, intestinal (Fabp2) with lipid synthesis, fatty acid oxidation, and hepatocyte steatosis. Conclusions: Our results show that acupuncture can regulate the protein expression of T2DM in the NAFLD mice model, and can effectively improve hepatocyte steatosis, and has potential benefits for the clinical treatment of this disease.
Determining the Relationship Between Hyoid Bone Kinematics and Airway Protection in Swallowing
Authors: Smaoui Sana , Peladeau-Pigeon Melanie , Steele Catriona M.
Published: January 2022

Purpose:

Research remains equivocal regarding the links between hyoid movement and penetration–aspiration. The aims of this study were (a) to explore associations between hyoid parameters, laryngeal vestibule closure (LVC) parameters, and penetration–aspiration on thin liquids; and (b) to determine which of these parameters are the strongest predictors of penetration–aspiration.

Method:

This study involved retrospective analysis of an existing videofluoroscopy data set, collected in 305 participants (152 males) with noncongenital/nonsurgical/non-oncological risk for dysphagia. We extracted data for six thin liquid swallows per participant, and obtained measures of hyoid movement (peak position, speed) and LVC (complete/incomplete, timing, duration). Resulting values were coded as typical/atypical relative to healthy reference data. Relationships were explored using chi-square tests and odds ratios (a) for the entire data set and (b) for the subset of data with complete LVC. Hierarchical logistic regression models determined the strongest predictors of penetration–aspiration.

Results:

Significant associations were found between penetration–aspiration and incomplete LVC, prolonged time-to-most-complete-LVC, short LVC duration, reduced anterior hyoid peak position, and reduced hyoid speed. Hyoid measures were also significantly associated with LVC parameters. In the first regression model, incomplete LVC and prolonged time-to-most-complete-LVC were the only significant predictors of penetration–aspiration. For cases with complete LVC, the only significant predictor was prolonged time-to-most-complete-LVC.

Conclusions:

Although reduced anterior hyoid peak position and speed are associated with penetration–aspiration on thin liquids, these measures do not independently account for penetration–aspiration when considered in conjunction with measures of LVC. When identifying mechanisms explaining penetration–aspiration, clinicians should focus on LVC (complete/incomplete) and timeliness of LVC.
AMICO galaxy clusters in KiDS-DR3: Cosmological constraints from counts and stacked weak lensing
Authors: Lesci G. F. , Marulli F. , Moscardini L. , Sereno M. , Veropalumbo A. , Maturi M. , Giocoli C. , Radovich M. , Bellagamba F. , Roncarelli M. , Bardelli S. , Contarini S. , Covone G. , Ingoglia L. , Nanni L. , Puddu E.
Published: January 2022

Aims.We present a cosmological analysis of abundances and stacked weak lensing profiles of galaxy clusters, exploiting the AMICO KiDS-DR3 catalogue. The sample consists of 3652 galaxy clusters with intrinsic richnessλ* ≥ 20, over an effective area of 377 deg2, in the redshift rangez ∈ [0.1,  0.6].

Methods.We quantified the purity and completeness of the sample through simulations. The statistical analysis has been performed by simultaneously modelling the co-moving number density of galaxy clusters and the scaling relation between the intrinsic richnesses and the cluster masses, assessed through stacked weak lensing profile modelling. The fluctuations of the matter background density, caused by super-survey modes, have been taken into account in the likelihood. Assuming a flat Λ cold dark matter (ΛCDM) model, we constrained Ωm,σ8,S8 ≡ σ8(Ωm/0.3)0.5, and the parameters of the mass-richness scaling relation.

Results.We obtained Ωm = 0.24−0.04+0.03,σ8 = 0.86−0.07+0.07, andS8 = 0.78−0.04+0.04. The constraint onS8is consistent within 1σwith the results from WMAP and Planck. Furthermore, we got constraints on the cluster mass scaling relation in agreement with those obtained from a previous weak lensing only analysis.
Past and present dynamics of the circumbinary moons in the Pluto-Charon system
Authors: Giuppone Cristian A. , Rodríguez Adrián , Michtchenko Tatiana A. , de Almeida Amaury A.
Published: January 2022

Context. The Pluto-Charon (PC) pair is usually thought of as a binary in a dual synchronous state, which is the endpoint of its tidal evolution. The discovery of the small circumbinary moons, Styx, Nix, Kerberos, and Hydra, placed close to the mean motion resonances (MMRs) 3/1, 4/1, 5/1, and 6/1 with Charon, respectively, reveals a complex dynamical system architecture. Several formation mechanisms for the PC system have been proposed.

Aims. Assuming the hypothesis of an in situ formation of the moons, our goal is to analyse the past and current orbital dynamics of the satellite system. We plan to elucidate on in which scenario the small moons can survive a rapid tidal expansion of the PC binary.

Methods. We study the past and current dynamics of the PC system through a large set of numerical integrations of the exact equations of motion, accounting for the gravitational interactions of the PC binary with the small moons and the tidal evolution, modelled by the constant time lag approach. We construct stability maps in a pseudo-Jacobian coordinate system. In addition, considering a more realistic model that accounts for the zonal harmonic, J2, of Pluto’s oblateness and the ad hoc accreting mass of Charon, we investigate the tidal evolution of the whole system.

Results. Our results show that, in the chosen reference frame, the current orbits of all satellites are nearly circular, nearly planar, and nearly resonant with Charon, which can be seen as an indicator of the convergent dissipative migration experienced by the system in the past. We verify that, under the assumption that Charon completes its formation during the tidal expansion, the moons can safely cross the main MMRs without their motions being strongly excited and consequently ejected.

Conclusions. In the more realistic scenario proposed here, the small moons survive the tidal expansion of the PC binary without the hypothesis of resonant transport having to be invoked. Our results indicate that the possibility of finding additional small moons in the PC system cannot be ruled out.
The dynamics and observability of circularly polarized kink waves
Authors: Magyar N. , Duckenfield T. , Van Doorsselaere T. , Nakariakov V. M.
Published: January 2022

Context. Kink waves are routinely observed in coronal loops. Resonant absorption is a well-accepted mechanism that extracts energy from kink waves. Nonlinear kink waves are know to be affected by the Kelvin-Helmholtz instability. However, all previous numerical studies consider linearly polarized kink waves.

Aims. We study the properties of circularly polarized kink waves on straight plasma cylinders, for both standing and propagating waves, and we compare them to the properties of linearly polarized kink waves.

Methods. We used the code MPI-AMRVAC to solve the full 3D magnetohydrodynamic equations for a straight magnetic cylinder, excited by both standing and propagating circularly polarized kink (m = 1) modes.

Results. The damping due to resonant absorption is independent of the polarization state. The morphology or appearance of the induced resonant flow is different for the two polarizations; however, there are essentially no differences in the forward-modeled Doppler signals. For nonlinear oscillations, the growth rate of small scales is determined by the total energy of the oscillation rather than the perturbation amplitude. We discuss possible implications and seismological relevance.
Evaluation of patient outcomes after operative treatment of intra-articular calcaneus fractures
Authors: Steelman Kevin , Bolz Nicholas , Feria-Arias Enrique , Meehan Robert
Published: January 2022

Background: Percutaneous reduction with fixation and open reduction internal fixation are often used to treat intra-articular calcaneus fractures with no consensus on the preferred method. Open techniques have been associated with an increased risk of wound complications, while percutaneous techniques may result in inferior reduction capabilities. These injuries pose a challenge to patients as they often result in poor patient outcomes. We retrospectively analyzed patient outcomes of a single surgeon’s experience in treating these injuries at a busy urban Level 1 trauma center. Methods: Patients with intra-articular calcaneus fractures managed operatively over 10 years with a minimum six-month follow-up were included. Patients were divided into two cohorts based on operative technique: closed reduction and percutaneous fixation (CRPF) or open reduction internal fixation (ORIF). Descriptive analysis of each cohort included postoperative infection, the need for repeat operations, development of post-traumatic subtalar arthritis, and reduction capabilities as assessed by Bohler’s angle. Results: Sixty-two patients were included in this study, with 33 patients in the CRPF group and 29 patients in the ORIF group. Infection requiring a return to the operating room occurred in 1 (3%) CRPF and 7 (24%) ORIF patients. Instrumentation was removed in 23 (70%) CRPF and 9 (31%) ORIF patients. Clinical subtalar arthritis developed in 10 (30%) CRPF and 7 (24%) ORIF patients, requiring arthrodesis in 2 (6%) and 5 (17%) patients, respectively. Both techniques had acceptable restoration of Bohler’s angle immediately postoperatively and at final follow-up. Conclusions: Percutaneous reduction with fixation and open reduction internal fixation may both be considered for the surgical treatment of intra-articular calcaneal fractures. Indications for each technique may vary between surgeons, and each has its own set of risk factors and complications, however, both have been shown to result in an acceptable reduction. Level of Evidence: Level IV.
Tests zur Beurteilung der Bewegungsqualität nach ligamentären Verletzungen des Kniegelenks: eine systematische Übersichtsarbeit
Authors: Keller Matthias , Diemer Frank , Kurz Eduard
Published: January 2022

Hintergrund Rupturen der kapsuloligamentären Strukturen dominieren die Verletzungsstatistik am Kniegelenk. Die Beurteilung posttraumatischer Defizite oder Dysfunktionen bei dynamischen Bewegungsmustern erfolgt sowohl quantitativ als auch qualitativ. Ziel dieser Übersichtsarbeit war es, Werkzeuge, die zur Bewertung der Bewegungsqualität nach einer Kniebandverletzung bei Erwachsenen eingesetzt werden, zusammenzutragen.

Methode In folgenden Primärquellen wurde eine systematische Suche nach Originalarbeiten durchgeführt: Ovid, PubMed, Scopus, Web of Science. Sowohl die konservativen als auch die operativen Therapieoptionen wurden berücksichtigt. PROSPERO Registrierung des Studienprotokolls: CRD42020175359.

Ergebnisse Insgesamt wurden 1153 Arbeiten identifiziert. In diese Arbeit wurden 11 Originalarbeiten aus 4 verschiedenen Arbeitsgruppen eingeschlossen. In allen Arbeiten wurde die Bewegungsqualität bei Erwachsenen nach einer Ruptur des vorderen Kreuzbandes beurteilt. Insgesamt wurden in den eingeschlossenen Studien 348 (70 nicht operiert, 278 rekonstruiert) Patienten nach einer Verletzung des vorderen Kreuzbandes und 119 Erwachsene mit intaktem vorderem Kreuzband untersucht.

Schlussfolgerung In der Praxis ist es möglich, die Bewegungsqualität nach einer Kniebandverletzung mit geringem zeitlichem und technischem Aufwand zu erfassen. Die erfassten Veränderungen resultieren in einem funktionellen Valgus, dessen Ausmaß basierend auf den Ergebnissen der einzelnen Arbeiten in einen isolierten Knievalgus, in einen medialen Kollaps oder einen posturalen Kollaps weiter differenziert werden kann.
Novel Insight into the Mechanism of Metabolic Surgery Causing the
Diversity in Glycemic Status in Type 2 Diabetes
Authors: Zhou Mengxiao , Wang Lijuan , Zhou Lujin , Chang Xiaotong , Zhu Xiaobo
Published: January 2022

Metabolic surgery results in diverse glycemic status in patients with type 2
diabetes (T2D), including hyperglycemia without remission, significant
amelioration of hyperglycemia with partial remission, complete restoration of
euglycemia, or with prolonged remission, hyperglycemia recurrence in relapses
after remission, or post-bariatric hypoglycemia. Unfortunately, it is not known
how metabolic surgery leads to this diverse consequence. Here, we discuss the
diversity of glycemic status associated with metabolic surgery and the potential
mechanisms of T2D remission. We also highlight the relationship between the
change in low-grade inflammation and T2D remission after metabolic surgery. We
hypothesize that the level of inflammatory and anti-inflammatory cytokines
controls the efficacy of metabolic surgery in patients with T2D. This hypothesis
may provide further insight into the mechanism of the beneficial effects of
metabolic surgery patients with T2D.
Mimicking Enzymes: Taking Advantage of the Substrate-Recognition Properties of Metalloporphyrins in Supramolecular Catalysis
Authors: Gramage-Doria Rafael , Abuhafez Naba , Perennes Antoine
Published: January 2022

The present review describes the most relevant advances dealing with supramolecular catalysis in which metalloporphyrins are employed as substrate-recognition sites in the second coordination sphere of the catalyst. The kinetically labile interaction between metallo­porphyrins (typically, those derived from zinc) and nitrogen- or oxygen-containing substrates is energetically comparable to the non-covalent interactions (i.e., hydrogen bonding) found in enzymes enabling substrate preorganization. Much inspired from host–guest phenomena, the catalytic systems described in this account display unique activities, selectivities and action modes that are difficult to reach by applying purely covalent strategies.
Transition-Metal-Catalyzed Enantioselective Synthesis of Indoles from 2-Alkynylanilines
Authors: Ye Zhi-Shi , Li Jin-Chen , Wang Gang
Published: January 2022

Optically active indole derivatives are ubiquitous in natural products and are widely recognized as privileged components in pharmacologically relevant compounds. Therefore, developing catalytic asymmetric approaches for constructing indole derivatives is highly desirable. In this short review, we summarize methods for the transition-metal-catalyzed enantioselective synthesis of indoles from 2-alkynyl­anilines.

1 Introduction

2 Aminometalation-Triggered Asymmetric Cross-Coupling Reactions/Insertion

2.1 Asymmetric Cross-Coupling Reactions

2.2 Asymmetric Insertion of C=O, C=C and C≡N Bonds

3 Asymmetric Relay Catalysis

4 Conclusion
Enantioselective C–H Functionalization toward Silicon-Stereogenic Silanes
Authors: He Chuan , Yuan Wei
Published: January 2022

In recent years, transition-metal-catalyzed enantioselective C–H bond functionalization has emerged as a powerful and attractive synthetic approach to access silicon-stereogenic centers, which provides impetus for the innovation of chiral organosilicon chemistry. This short review summarizes recent advances in the construction of silicon-stereogenic silanes via transition-metal-catalyzed enantioselective C–H functionalization. We endeavor to highlight the great potential of this methodology and hope that this review will shed light on new perspectives and inspire further research in this emerging area.

1 Introduction

2 Enantioselective C–H Functionalization Induced by Oxidative Addition­ of an Aryl-OTf Bond

3 Enantioselective C–H Functionalization Induced by Oxidative Addition­ of a Silacyclobutane

4 Directing-Group-Assisted Enantioselective C–H Functionalization

5 Enantioselective Dehydrogenative C–H/Si–H Coupling

5.1 Enantioselective C(sp2)–H Silylation

5.2 Enantioselective C(sp3)–H Silylation

6 Summary and Outlook
Tuning StackPhim Ligands: Applications in Enantioselective Borylation and Alkynylation
Authors: Aponick Aaron , Dahiya Gaurav , Abboud Khalil A.
Published: January 2022

Here we present a new stack ligand with a modified imidazoline backbone prepared from cyclohexanediamine. This new stack ligand­, Cy-StackPhim, has been found to complement the parent StackPhim ligand in an enantioselective borylation reaction. Additionally, a correlation between the nature of substituents on the imidazoline ring and the substituents on the electrophile is also discussed.
Copper-Catalyzed Allylation of Amines with Cyclopropyldiphenylsulfonium Trifluoromethanesulfonate
Authors: Zhang Cheng-Pan , Ma Yu , Tian Ze-Yu , Zheng Shuang-Yang
Published: January 2022

Cyclopropyldiphenylsulfonium salt, a famous ylide precursor previously extensively employed in the preparation of cyclic compounds, has been successfully utilized as an efficient allylation reagent in this work. The copper-catalyzed reactions of cyclopropyldiphenylsulfonium trifluoromethanesulfonate with amines in the presence of an appropriate ligand provided the N-allylated products in good yields. Aliphatic/aromatic amines and primary/secondary amines were all converted under mild reaction conditions. This protocol was also applicable to N-functionalization of drug molecules, supplying the corresponding N-allylated compounds in satisfactory yields. The reaction, which showed good functional group tolerance with a wide range of substrates and excellent chemoselectivity, offers an interesting method for the synthesis of N-allyl amines.
Convenient and General Synthesis of C-3-Substituted Het(aryl)indole C-Nucleoside Analogues from Sugar Alkynes
Authors: Zhang Fuyi , Zhou Xiang , Cao Zhaoxin , Chen Qianxia , Zhao Yufen
Published: January 2022

The synthesis of C-3-substituted het(aryl)indole C-nucleoside analogues bearing structurally diverse sugar moieties has been achieved by Sonogashira coupling of terminal sugar alkynes with het(aryl) iodides followed by heteroannulation of the corresponding sugar/het(aryl) alkynes with substituted 2-iodoanilines. This method is simple and general and is suitable for structurally diverse sugars and various het(aryl) iodides. The terminal sugar alkynes include furanosides, pyranosides, and acyclic sugars with sensitive groups and bulky substituents. The het(aryl) iodides involve iodobenzene, iodothiophene, iodobenzothiophene, and iodobenzofuran. Thirty-one examples are presented and the corresponding 2-het(aryl)indole C-nucleoside analogues are obtained in moderate to excellent yields.
Room Temperature, Metal-Free, Regioselective Arylselenation of Anilines Using Diselenides as Selenium Source
Authors: Bai Rekha , Dabaria Kamlesh Kumar , Badsara Satpal Singh
Published: January 2022

A metal-free direct C–H selenation of aniline derivatives via an iodine-catalyzed C–Se bond formation using diselenides as a selenium source at ambient temperature is described. A variety of aniline derivatives underwent regioselective C–H selenation with different diselenides to afford the corresponding aryl selenoethers in good to excellent yields.
Total Synthesis of Cryptopleurine and Its Analogues
Authors: Yamaoka Yousuke , Takasu Kiyosei , Yamakawa Takuro , Tateishi Kaito
Published: January 2022

Total synthesis of phenanthroquinolizidine alkaloid cryptopleurine was achieved in 8 steps from commercially available 2-pyridinecarboxaldehyde and the epoxide derived from methyleugenol. The key intermediate vinyl triflate enables the divergent synthesis of crypto­pleurine derivatives by late-stage installation of various substituents on the C-ring.
Pharmacodynamic Profiles of Dual-Pathway Inhibition with or without Clopidogrel versus Dual Antiplatelet Therapy in Patients with Atherosclerotic Disease
Authors: Galli Mattia , Franchi Francesco , Rollini Fabiana , Been Latonya , Jaoude Patrick Abou , Rivas Andrea , Zhou Xuan , Jia Sida , Maaliki Naji , Lee Chang Hoon , Pineda Andres M. , Suryadevara Siva , Soffer Daniel , Zenni Martin M. , Geisler Tobias , Jennings Lisa K. , Bass Theodore A. , Angiolillo Dominick J.
Published: January 2022

Aim Inhibition of thrombin-mediated signaling processes using a vascular dose of rivaroxaban in adjunct to antiplatelet therapy, known as dual-pathway inhibition (DPI), reduces atherothrombotic events in patients with stable atherosclerotic disease. However, there are limited data on the pharmacodynamic (PD) effects of this strategy and how it compares to standard dual antiplatelet therapy (DAPT).

Methods and Results This investigation was conducted in selected cohorts of patients (n = 40) with stable atherosclerotic disease—enrolled within a larger prospective, open-label, parallel-group PD study—who were treated with either aspirin plus clopidogrel (DAPT), aspirin plus rivaroxaban 2.5 mg/bid (DPI), or DAPT plus rivaroxaban 2.5 mg/bid. Multiple PD assays providing a comprehensive assessment of markers of thrombosis were used. PD endpoints included platelet-mediated global thrombogenicity measured by light transmittance aggregometry (LTA) following stimuli with CATF (collagen-related peptide + adenosine diphosphate [ADP] + tissue factor [TF]), markers of P2Y12 reactivity, markers of platelet aggregation using LTA following several stimuli (arachidonic acid, ADP, collagen, TF, and thrombin receptor-activating peptide [TRAP]), thrombin generation, and thrombus formation. There was no difference in platelet-mediated global thrombogenicity between groups. Rivaroxaban significantly reduced thrombin generation and was associated with a trend toward reduced TF-induced platelet aggregation. Clopidogrel-based treatments reduced markers of P2Y12 signaling and TRAP-induced platelet aggregation. There were no differences between groups on markers of cyclooxygenase-1-mediated activity.

Conclusion Compared with DAPT, DPI does not result in any differences in platelet-mediated global thrombogenicity, but reduces thrombin generation. These PD observations suggest that modulating thrombin generation—by means of factor Xa inhibition—in adjunct to antiplatelet therapy provides effective antithrombotic effects, supporting the efficacy and safety findings of a DPI strategy observed in clinical trials.
Chiron Approach for the Total Synthesis of Brevipolide M
Authors: Liu Jun , Du Yuguo , Liu Yang , Zhao Ziyang , Hu Chao , Zhao Chuanfang
Published: January 2022

An efficient stereoselective synthesis of brevipolide M was established in 13 linear steps and 17.8% overall yields based on chiron approach. The key steps of our synthesis involved tandem Wittig olefination–tetrahydrofuran cyclization and sequential ring-closing metathesis (RCM)–double-bond migration in one-pot processes.
Extending the Indications of 5-Aminolevulinic Acid for Fluorescence-Guided Surgery for Different Central Nervous System Tumors: A Series of 255 Cases in Latin America
Authors: Silva Jr Erasmo Barros da , Ramina Ricardo , Coelho Neto Maurício , Machado Guilherme Augusto de Souza , Cavalcanti Marcella Santos , Silva Joseph Franklin Chenisz da
Published: January 2022

Introduction Fluorescence guidance with 5-aminolevulinic acid (5-ALA) is a safe and reliable tool in total gross resection of intracranial tumors, especially malignant gliomas and cases of metastasis. In the present retrospective study, we have analyzed 5-ALA-induced fluorescence findings in different central nervous system (CNS) lesions to expand the indications of its use in differential diagnoses.

Objectives To describe the indications and results of 5-ALA fluorescence in a series of 255 cases.

Methods In 255 consecutive cases, we recorded age, gender, intraoperative 5-ALA fluorescence tumor response, and 5-ALA postresection status, as well the complications related to the method. Postresection was classified as ‘5-ALA free’ or ‘5-ALA residual’. The diagnosis of histopathological tumor was established according to the current classification of the World Health Organization (WHO).

Results There were 195 (76.4%) 5-ALA positive cases, 124 (63.5%) of whom underwent the ‘5-ALA free’ resection. The findings in the positive cases were: 135 gliomas of all grades; 19 meningiomas; 4 hemangioblastomas; 1 solitary fibrous tumor; 27 metastases; 2 diffuse large B cell lymphomas; 2 cases of radionecrosis; 1 inflammatory disease; 2 cases of gliosis; 1 cysticercosis; and 1 immunoglobulin G4-related disease.

Conclusion Fluorescence with 5-ALA can be observed in lesions other than malignant gliomas or metastases, including meningiomas, hemangioblastomas, pilocytic astrocytomas, and lymphomas. Although there is need for further evidence for the use of 5-ALA beyond high-grade gliomas, it may be a safe and reliable tool to improve resection in positive tumors or to guide the histopathologic analysis in biopsies.
Reducing VNS stimulation parameters: Is it safe?
Authors: Oliveira Tatiana Von Hertwig Fernandes de , Chaves Jennyfer Paulla Galdino , Silva Thiago Teixeira , Francisco Alexandre Novicki , Stebel Sérgio Leandro
Published: January 2022

Introduction Vagal nerve stimulation (VNS) is an adjuvant therapy used in the treatment of patients with refractory epilepsy who are not candidates for resective surgery or who have limited results after surgical procedures. Currently, there is enough evidence to support its use in patients with various types of epilepsy. Therefore, the present study was conducted to explore the possibility of optimizing therapy by reducing the consumption of the system's battery.

Methods The prospective and double-blind analysis consisted in the evaluation of 6 patients submitted to VNS implantation for 3 months, followed by adjustment of the stimulation settings and continuity of follow-up for another month. The standard protocol was replaced by another with a frequency value of 20 Hz instead of 30 Hz to increase battery life. The safety of this procedure was evaluated through the assessment of two main variables: seizures and side effects.

Results The stimulation at 20 Hz showed 68% reduction in the incidence of seizures (p = 0.054) as well as low incidence of side effects.

Conclusion The present study suggests that the reduction of the stimulation frequency from 30 to 20 Hz is a safe procedure, and it does not compromise the effectiveness of therapy.
The Relationship between the Injury Mechanism and the Incidence of ACL Avulsions in Schatzker Type IV Tibial Plateau Fractures: A 3D Quantitative Analysis Based on Mimics Software
Authors: Liu Zihao , Wang Shuai , Tian Xiaochen , Peng Aqin
Published: January 2022

Introduction Tibial plateau fractures are often accompanied with ligamental and meniscal injuries. Among which, the combined existence of Schatzker type IV fracture with anterior cruciate ligament (ACL) avulsion has been reported rarely. The purpose of this study was to determine the injury mechanism of Schatzker type IV fracture with ACL avulsion based on Mimics software.

Methods Ninety-nine Schatzker type IV tibial plateau fractures were retrospectively analyzed by quantitative three-dimensional measurements. ACL avulsions were diagnosed through the data of computed tomography and magnetic resonance imaging. We simulated the knee posture when an injury occurred and defined different injury patterns. The chi-square test was used for determining the main mechanism which causes Schatzker type IV fractures associated with ACL avulsions.

Results There were more ACL avulsions and more displaced ACL avulsions associated with the knee in flexion in the setting of Schatzker type IV fracture (p < 0.05). More ACL avulsions were found in the injury pattern of flexion-valgus than the other injury patterns of the same level (p < 0.05). The rotation of the tibial showed no significant difference in producing ACL avulsion fractures.

Conclusion This study found that a flexed knee at the occurrence of a Schatzker type IV tibial plateau fracture is a high-risk factor for causing associated ACL avulsion and producing more displaced avulsions. Flexion-valgus pattern was the main cause of Schatzker type IV fractures associated with ACL avulsions. The findings will help orthopedists understand the injury mechanism and enhance their awareness of such injuries to avoid unfavorable prognosis.
Preoperative Factors Associated with Press Ganey Patient Satisfaction Scores after Anterior Cruciate Ligament Reconstruction
Authors: Perraut Gregory T. , Zhang Tina , Weir Tristan B. , Schneider Matheus B. , Aneizi Ali , Leong Natalie L. , Packer Jonathan D. , Meredith Sean J. , Henn R Frank
Published: January 2022

Patient satisfaction is increasingly used as a metric to evaluate the quality of healthcare services and to determine hospital and physician compensation. The aim of this study was to identify preoperative factors associated with Press Ganey Ambulatory Surgery (PGAS) satisfaction scores, and to evaluate the effect of each PGAS domain score on the total PGAS score variability in patients undergoing anterior cruciate ligament reconstruction (ACLR). A review of a Press Ganey (PG) database at a single center was performed for patients undergoing ACLR between 2015 and 2019. Ninety-nine patients completed the PGAS survey and 54 also completed preoperative demographic and patient-reported outcome measures (PROMs) for an orthopaedic registry. PGAS scores were calculated and bivariate analysis was performed. Multivariable linear regression determined the effect of each of the six PGAS domains on the total PGAS score variability. In the total cohort of 99 patients, no factors were significantly associated with the total PGAS score or any domain scores. For the 54 patients who also participated in the orthopaedic registry, none of the preoperative PROMs were significantly correlated with total PGAS score. However, having a college degree (89 vs. 95 or 97 points; p = 0.02) and continuous femoral nerve catheter (92 vs. 100 points; p = 0.04) was associated with lower personal issue domain scores, while patients with a greater number of prior surgeries had worse registration domain scores (ρ = -0.27; p = 0.049). For the entire cohort, the registration and facility domains contributed the most variability to the total PGAS score, while the physician domain contributed the least. Few preoperative factors are associated with PGAS scores, and total PGAS scores do not significantly correlate with baseline PROMs. Surgeons may have limited ability to improve their PGAS scores given most of the variability in total scores stems from systemic aspects of the patient experience.
Noninvasive Respiratory Support during Pediatric Critical Care Transport: A Retrospective Cohort Study
Authors: Hutton Hayley , Sherif Ahmed , Ari Abhijit , Ramnarayan Padmanabhan , Jones Andrew
Published: January 2022

Noninvasive respiratory support (NRS) including high flow nasal cannula (HFNC), continuous positive airway pressure (CPAP), and bilevel positive airway pressure (BiPAP) is increasingly used for children with respiratory failure requiring interhospital transport by pediatric critical care transport (PCCT) teams. In this retrospective observational study of children receiving NRS on transport between January 1st, 2017 and December 31st, 2019 by a single PCCT service in England, we describe a cohort of children, looking at patient characteristics, journey logistics, adverse events, and failure of NRS (as defined by emergency intubation on transport or within 24 hours of arriving on the pediatric intensive care unit), and to attempt to identify risk factors that were associated with NRS failure. A total of 3,504 patients were transported during the study period. Three hundred and seventeen (9%) received NRS. Median age was 4.9 months (IQR: 1.0–18.2); median weight was 5.1 kg (IQR: 3.1–13). The primary diagnostic category was cardiorespiratory in 244/317 (77%) patients. Comorbidities were recorded in 189/317 (59.6%) patients. Median Pediatric Index of Mortality-3 (PIM3) score was 0.024 (IQR: 0.012–0.045). Median stabilization time was 80 minutes while median patient journey time was 40 minutes. Nineteen adverse events were described (clinical deterioration, equipment failure/interface issues) affecting 6% of transports. The incidence of NRS failure was 6.6%. No risk factors associated with NRS failure were identified. We concluded that NRS can be considered safe during pediatric transport for children with a wide range of diagnoses and varying clinical severity, with a low rate of adverse events and need for intubation on transport or on the PICU.
Quantifying abstraction in neural networks to increase understanding of human brain processing
Authors: Cockshott Anne
Published: January 2022

Training simple neural networks to form abstract representations valuable for neural systems, machine learning, artificial intelligence
An alternative hypothesis for the deformation of a cell nucleus
Authors: Thompson Avery
Published: January 2022

An innovative model builds on recently collected data to explain how the cell controls and deforms the shape of its nucleus.
Compact, tunable polarization transforming reflector for quasi-optical devices used in terahertz science
Authors: Chen Jeson , Maly Thorsten
Published: January 2022

We describe the design, fabrication, and characterization of a compact polarization transforming reflector (PTR). The device can be easily tuned over a broad frequency range, has very little insertion losses, and can easily be integrated into quasi-optical systems that are based on a half-cube design. By varying the distance between the wire grid and a flat mirror, the polarization state of an arbitrary polarized Gaussian incident beam can be set to an output Gaussian beam in either linear or circular polarization. In addition, by varying the orientation of the wire grid, the PTR can be used as a universal polarizer, a property that has not been discussed or demonstrated in the literature. The ability to control the electric field polarization at Terahertz (THz) frequencies is essential for many applications, such as THz spectroscopy and high-field electron paramagnetic resonance spectroscopy.
The influence of modulated magnetic field on light absorption in SERF atomic magnetometer
Authors: Yin Yan , Zhou Binquan , Wang Yaxiang , Ye Mao , Ning Xiaolin , Han Bangcheng , Fang Jiancheng
Published: January 2022

A single-beam spin-exchange relaxation-free atomic magnetometer is ultra-sensitive in the zero field, which has great potential for the detection of a magnetoencephalogram. The addition of a modulated magnetic field is an important approach to achieve high sensitivity for devices of this kind. In this study, we discovered that the amplitude and frequency of the modulated magnetic field (modulation index 0–3) both influence the light absorption. We defined this effect into a function by combining theoretical analysis and the results of experiments. It is discovered that the transmission intensity decreases with an increase in the modulation index. This effect is weakened under the application of a high modulation index. In addition, the transmission intensity and bias magnetic field no longer follow a strict Lorentz curve, while a high degree of fit can be achieved by applying the numerical solution of the Bloch function. A compact magnetometer with a volume of 10 cm3 and a sensitivity of 20 fT/Hz is developed based on the single beam scheme for the proof of concept. Our study is crucial in two aspects: (1) Obtaining high sensitivity through a short measurement period and (2) alignment of the scale factor of the individual magnetometer in a detection array, which further pave the way for improvement in a magnetometer’s performance under a variety of optics platforms.