bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Oxidation of 5‐Hydroxymethylfurfural to 2,5‐Diformylfuran by Visible Light‐Driven Photocatalysis over In Situ Substrate‐Sensitized Titania
Authors: Khan Ayesha , Goepel Michael , Kubas Adam , Łomot Dariusz , Lisowski Wojciech , Lisovytskiy Dmytro , Nowicka Ariadna , Colmenares Juan Carlos , Gläser Roger 
Published: January 2021

AbstractSolar energy‐driven processes for biomass valorization are priority for the growing industrialized society. To address this challenge, efficient visible light‐active photocatalyst for the selective oxidation of biomass‐derived platform chemical is highly desirable. Herein, selective oxidation of 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) was achieved by visible light‐driven photocatalysis over titania. Pristine titania is photocatalytically inactive under visible light, so an unconventional approach was employed for the visible light (λ=515 nm) sensitization of titania via a formation of a visible light‐absorbing complex of HMF (substrate) on the titania surface. Surface‐complexation of HMF on titania mediated ligand‐to‐metal charge transfer (LMCT) under visible light, which efficiently catalyzed the oxidation of HMF to DFF. A high DFF selectivity of 87 % was achieved with 59 % HMF conversion after 4 h of illumination. The apparent quantum yield obtained for DFF production was calculated to be 6.3 %. It was proposed that the dissociative interaction of hydroxyl groups of HMF and the titania surface is responsible for the surface‐complex formation. When the hydroxyl groups of titania were modified via surface‐fluorination or calcination the oxidation of HMF was inhibited under visible light, signifying that hydroxyl groups are decisive for photocatalytic activity.
An output capacitor‐less low‐dropout regulator with wide load capacitance and current ranges
Authors: Zhang Zhang , Xu Shu , Wu Hongyuan , Xie Guangjun , Cheng Xin 
Published: January 2021

SummaryThis paper presents an output capacitor‐less low‐dropout regulator (LDO) with wide load capacitance and current ranges. A new Miller compensation technique called multipath double‐nested Miller compensation with Q‐reduction circuit is introduced to extend the ranges of the load capacitance and current. Besides, a multiple small‐gain stages technology is applied to improve the loop gain of the LDO, achieving better management accuracy. The proposed LDO was fabricated in a 130‐nm CMOS process. The measured maximum load capacitance can be extended to 4.7 nF, and the maximum load current is 80 mA. Moreover, the measured line regulation and load regulation are 4 mV/V and 0.154 mV/mA, respectively.
The neural correlates of paternal consoling behavior and frustration in response to infant crying
Authors: Rilling James K. , Richey Lynnet , Andari Elissar , Hamann Stephan 
Published: January 2021

AbstractHuman fathers often form strong attachments to their infants that contribute to positive developmental outcomes. However, fathers are also the most common perpetrators of infant abuse, and infant crying is a known trigger. Research on parental brain responses to infant crying have typically employed passive listening paradigms. However, parents usually engage with crying infants. Therefore, we examined the neural responses of 20 new fathers to infant cries both while passively listening, and while actively attempting to console the infant by selecting soothing strategies in a video game format. Compared with passive listening, active responding robustly activated brain regions involved in movement, empathy and approach motivation, and deactivated regions involved in stress and anxiety. Fathers reporting more frustration had less activation in basal forebrain areas and in brain areas involved with emotion regulation (e.g., prefrontal cortex and the supplementary motor area). Successful consolation of infant crying activated regions involved in both action‐outcome learning and parental caregiving (anterior and posterior cingulate cortex). Overall, results suggest that active responding to infant cries amplifies activation in many brain areas typically activated during passive listening. Additionally, paternal frustration during active responding may involve a combination of low approach motivation and low engagement of emotion regulation.
Hydrologic classification of Tanzanian rivers to support national water resource policy
Authors: Olden Julian D. , Messager Mathis L. , Tharme Rebecca E. , Kashaigili Japhet J. , Munkyala David , Zielinski Lauren , Warner Andrew 
Published: January 2021

AbstractClassifying rivers into homogeneous categories based on hydrological and/or environmental attributes supports the implementation of environmental flows to sustain aquatic ecosystems and support the resource needs of society. Hydrological classifications provide decision‐makers with a pragmatic number of water management units by grouping individual rivers or river segments expected to exhibit similar biophysical responses to flow alteration. Such classifications are particularly useful across broad geographies and in data‐limited contexts, such as in Tanzania, where the legal requirement to implement environmental flows for all major waterbodies remains constrained by scant data. We present a two‐level hydrological classification of all Tanzanian basins and the Rufiji River Basin. For the Rufiji River Basin, the largest river basin in the country, we performed an inductive classification based on the availability of long‐term time series of daily average discharge. We clustered 28 gauging stations into seven classes according to ecologically relevant hydrological metrics and used boosted classification trees to predict the hydrological class of all 95,909 river segments in the basin based on environmental attributes that influence flow regimes. In the absence of consistent, readily‐available gauged flow data, we conducted a deductive classification of all Tanzanian rivers whereby segments were directly grouped by multivariate similarity using the same environmental attributes. This analysis revealed 10 river classes reflecting the diversity of ecohydrological conditions characterizing the 486,681 river segments draining in and out of Tanzania. The new hydrological classifications presented here provide the foundation to guide implementation of management practices within the water policy framework of Tanzania.
A COMINRES‐QLP method for solving complex symmetric linear systems
Authors: Liu Lijun , Sekiya Kazuaki , Ogino Masao , Masui Koki 
Published: January 2021

AbstractSolving complex symmetric systems efficiently is a significantly important issue in the applications of electromagnetics since the discretization of the numerical model using the finite element method results in complex symmetric systems when computing the electromagnetic field. However, such complex symmetric systems are usually much more difficult to be solved because of the property of non‐Hermitian. Therefore, efficient numerical methods for the solution of complex symmetric systems are demanded. In this study, we proposed an iterative method called COMINRES‐QLP which is specially designed for complex symmetric linear systems. Moreover, we proposed a new stopping criterion which could be very useful in practical computations when the condition number of the coefficient matrix is unknown.
The multiple faces of autoimmune/immune‐mediated myocarditis in children: a biopsy‐proven case series treated with immunosuppressive therapy
Authors: Marcolongo Renzo , Rizzo Stefania , Cerutti Alessia , Reffo Elena , Castaldi Biagio , Baritussio Anna , Basso Cristina , Di Salvo Giovanni , Caforio Alida L.P. 
Published: January 2021

AbstractThe role of immunosuppressive therapy (IT) in paediatric autoimmune/immune‐mediated myocarditis remains poorly defined. To explore its role, we present a series of three consecutive paediatric patients with biopsy‐proven, virus negative, autoimmune/immune‐mediated myocarditis, with distinct clinical and pathological features, who have been successfully treated with IT, a 14‐year‐old boy with Loeffler's fibroblastic parietal endomyocarditis, a 6‐year‐old child with celiac disease with chronic active lymphocytic myocarditis, and a 13‐year‐old boy with long‐standing heart failure and active lymphocytic myocarditis. Patients started IT and entered follow‐up between July 2017 and September 2019; the first patient completed IT. IT was associated with a substantial and sustained recovery of cardiac function in our patients, regardless of their heterogeneous clinical and pathological features. Combination IT was well tolerated and enabled tapering and weaning off steroids.
Electrocardiographic features and their echocardiographic correlates in peripartum cardiomyopathy: results from the ESC EORP PPCM registry
Authors: Mbakwem Amam C. , Bauersachs Johann , Viljoen Charle , Hoevelmann Julian , van der Meer Peter , Petrie Mark C. , Mebazaa Alexandre , Goland Sorel , Karaye Kamilu , Laroche Cécile , Sliwa Karen ,   Peripartum Cardiomyopathy Investigators Group
Published: January 2021

AbstractAimsIn peripartum cardiomyopathy (PPCM), electrocardiography (ECG) and its relationship to echocardiography have not yet been investigated in large multi‐centre and multi‐ethnic studies. We aimed to identify ECG abnormalities associated with PPCM, including regional and ethnic differences, and their correlation with echocardiographic features.Methods and resultsWe studied 411 patients from the EURObservational PPCM registry. Baseline demographic, clinical, and echocardiographic data were collected. ECGs were analysed for rate, rhythm, QRS width and morphology, and QTc interval. The median age was 31 [interquartile range (IQR) 26–35] years. The ECG was abnormal in > 95% of PPCM patients. Sinus tachycardia (heart rate > 100 b.p.m.) was common (51%), but atrial fibrillation was rare (2.27%). Median QRS width was 82 ms [IQR 80–97]. Left bundle branch block (LBBB) was reported in 9.30%. Left ventricular (LV) hypertrophy (LVH), as per ECG criteria, was more prevalent amongst Africans (59.62%) and Asians (23.17%) than Caucasians (7.63%, P < 0.001) but did not correlate with LVH on echocardiography. Median LV end‐diastolic diameter (LVEDD) was 60 mm [IQR 55–65] and LV ejection fraction (LVEF) 32.5% [IQR 25–39], with no significant regional or ethnic differences. Sinus tachycardia was associated with an LVEF < 35% (OR 1.85 [95% CI 1.20–2.85], P = 0.006). ECG features that predicted an LVEDD > 55 mm included a QRS complex > 120 ms (OR 11.32 [95% CI 1.52–84.84], P = 0.018), LBBB (OR 4.35 [95% CI 1.30–14.53], P = 0.017), and LVH (OR 2.03 [95% CI 1.13–3.64], P = 0.017).ConclusionsPPCM patients often have ECG abnormalities. Sinus tachycardia predicted poor systolic function, whereas wide QRS, LBBB, and LVH were associated with LV dilatation.
Cardiogenic shock teams and centres: a contemporary review of multidisciplinary care for cardiogenic shock
Authors: Moghaddam Nima , van Diepen Sean , So Derek , Lawler Patrick R. , Fordyce Christopher B. 
Published: January 2021

AbstractCardiogenic shock (CS) portends high morbidity and mortality in the contemporary era. Despite advances in temporary mechanical circulatory supports (MCS), their routine use in CS to improve outcomes has not been established. Delays in diagnosis and timely delivery of care, disparities in accessing adjunct therapies such revascularization or MCS, and lack of a systematic approach to care of CS contribute to the poor outcomes observed in CS patients. There is growing interest for developing a standardized multidisciplinary team‐based approach in the management of CS. Recent prospective studies have shown feasibility of CS teams in improving survival across a spectrum of CS presentations. Herein, we will review the rationale for CS teams focusing on evidence supporting its use in streamlining care, optimizing revascularization strategies, and patient identification and MCS selection. The proposed structure and flow of CS teams will be outlined. An in‐depth analysis of four recent studies demonstrating improved outcomes with CS teams is presented. Finally, we will explore potential implementation hurdles and future directions in refining and widespread implementation of dedicated cross‐specialty CS teams.
Molecular Systems Combining Porphyrinoids and N‐Heterocyclic Carbenes
Authors: Longevial Jean‐François , Rose Clémence , Poyac Ludivine , Clément Sébastien , Richeter Sébastien 
Published: January 2021

AbstractPorphyrins and N‐heterocyclic carbenes (NHCs) are both relevant ligands in the fields of coordination and organometallic chemistry. Despite evident structural differences, porphyrins and NHCs have a lot in common such as their ability to form strong metal‐ligand bonds and their use in catalysis, materials science and biomedicine. During the last decade, several molecular systems combining porphyrins and NHC ligands were reported in the literature. The present review gathers relevant examples where NHC ligands are either axially bonded to metalloporphyrins or covalently attached to the porphyrin cores. Structural diversity, electronic interplay between porphyrins and NHCs and some relevant applications in catalysis and biomedicine are notably described. Finally, molecular systems combining NHCs with other original porphyrinoids such as N‐confused porphyrins, subporphyrins and norcorroles are also presented.
Synthesis, Self‐Assembly, and Nucleic Acid Recognition of an Acylhydrazone‐Conjugated Cationic Tetraphenylethene Ligand
Authors: Coste Maëva , Kotras Clément , Bessin Yannick , Gervais Virginie , Dellemme David , Leclercq Maxime , Fossépré Mathieu , Richeter Sébastien , Clément Sébastien , Surin Mathieu , Ulrich Sébastien 
Published: January 2021

AbstractSupramolecular polymers are of interest in the pursuit of multivalent nucleic acids recognition. However, their formation often relies on non‐covalent forces that are also at play in the interaction with nucleic acids. In this work, we designed a novel compound (TPE‐Gir) combining a tetraphenylethene aromatic core tethered to four quaternary ammoniums through acylhydrazone spacers, and we investigated in detail its self‐assembly and interaction with different types of nucleic acids. The spectroscopic analyses indicate the self‐assembly of regular fluorescent nanoparticles (observed by DLS and TEM) in the absence of nucleic acids, the strong propensity to intercalate into single‐stranded DNA, the ability to bind into the minor groove of double‐stranded DNA, and the selective binding to G‐quadruplex (G4) structures by fitting within a wide G4‐groove. Those recognition events are quantified by isothermal titration calorimetry and the proposed binding models are supported by docking simulations.
Novel, Chiral, and Enantiopure C2‐Symmetric Thioureas Promote Asymmetric Protio‐Pictet‐Spengler Reactions by Anion‐Binding Catalysis
Authors: Retini Michele , Bartoccini Francesca , Zappia Giovanni , Piersanti Giovanni 
Published: January 2021

AbstractAlthough anion‐binding processes are well‐known for their crucial role in molecular recognition, they have only recently been utilized for catalysis. Herein, a new class of chiral, enantiopure C2‐symmetrical thioureas that, in combination with 4‐methoxybenzoic acid, promotes the enantioselective protio‐Pictet‐Spengler reaction to provide unprotected tetrahydro‐β‐carbolines in good yields (40–93 %) and moderate‐to‐high enantioselectivities (34–95 % ee) in one step from tryptamine and aldehyde derivatives is described. The formation of a chiral catalyst‐anion complex was explored by1H NMR.
Non‐Canonical Reactivity of Gold Carbene with Alkyne: An Overview of the Mechanistic Premise
Authors: Sancheti Shashank P. , Patil Nitin T. 
Published: January 2021

AbstractThe unique nature of gold carbene and its synchronous counterpart gold‐stabilized carbocation, is mainly responsible for the non‐canonical reactivity profile that it demonstrates in comparison to any other transition metal carbene. Being an important subset to this class, reactions of gold carbene with alkyne sponsor products far more diverse than cyclopropenation as canonically expected in case of other transition metal carbenes. These gold‐catalyzed reactions have largely been proposed to follow either a [1,n]‐carbene transfer process or an alternate pathway involving a direct interception of the β‐gold vinyl cation with a nucleophile at the cationic carbon. Despite of a clear distinction in structure, bonding and energy of a vinyl gold carbene and β‐gold vinyl cation; they have been found to exhibit identical reactivities like cyclopropenation, C(sp2)–H insertion, etc. making it extremely difficult to “experimentally” investigate and validate a mechanistic pathway. It is because of lack of conclusive experimental evidence, in addition to the limited number of detailed computational studies, that multiple pathways have been proposed simultaneously to rationalize the product formation. As an effort to shed light on the mechanisms of these reactions, herein, documentation of these reactions with a focus on their mechanistic premise has been presented.
A Novel and Practical Continuous Flow Chemical Synthesis of Cannabidiol (CBD) and its CBDV and CBDB Analogues
Authors: Chiurchiù Elena , Sampaolesi Susanna , Allegrini Pietro , Ciceri Daniele , Ballini Roberto , Palmieri Alessandro 
Published: January 2021

AbstractCannabidiol is one of the main non‐psychoactive cannabinoids present in Cannabis sativa and, in the last decade, it is gaining great interest among the scientific community for its pharmaceutical, nutraceutical, and cosmetic applications. Herein, we report the first continuous flow chemical synthesis of cannabidiol (CBD) and its analogues cannabidivarin (CBDV) and cannabidibutol (CBDB). This approach permits to synthesize products in very good yields (55–59 %), limiting the formation of psychoactive and illegal cannabinoids such as tetrahydrocannabinol (THC).
Stereoselective Synthesis of (2S,6R)‐Diamino‐(5R,7)‐dihydroxy‐heptanoic Acid (DADH): An Unusual Amino Acid from Streptomyces sp. SANK 60404
Authors: Okamura Hironori , Yasuno Yoko , Nakayama Atsushi , Takikawa Hirosato , Shinada Tetsuro 
Published: January 2021

AbstractStereoselective synthesis of (2S,6R)‐diamino‐(5R,7)‐dihydroxy‐heptanoic acid (DADH), a biosynthetic precursor of vazabitide A, isolated from Streptomyces sp. SANK 60404 was achieved for the first time. Three stereogenic centers of DADH were constructed by the chemical manipulation on Garner's aldehyde as a chiral source and DuPHOS‐Rh‐catalyzed asymmetric hydrogenation of a dehydroamino acid ester. The synthetic advantage of the present method was demonstrated by the flexible synthesis of the DADH stereoisomers from Garner's aldehyde.
Klyflaccilins B‐T, Polyoxgenated Eunicellins from the Soft Coral Klyxum flaccidum
Authors: Li Geng , Sun Li‐Li , Dickschat Jeroen S. , Guo Yue‐Wei 
Published: January 2021

AbstractNineteen polyoxygenated eunicellin diterpenoids, named klyflaccilins B‐T (1–19), were isolated from the South China Sea soft coral Klyxum flaccidum. Their structures were established by extensive spectroscopic analysis and for several of the isolated compounds the absolute configurations were determined by X‐ray diffraction analysis.
The Electrochemiluminescent Immunosensors for Point‐of‐Care Testing of Methamphetamine Using a Portable Meter
Authors: Tan Rong , Shen Yi , Li Dongning , Yang Ya , Tu Yifeng 
Published: January 2021

AbstractThe crowd of methamphetamine (METH) abuse has obviously increased during past decades, their physical and mental health are seriously jeopardized. It compelled growing worry worldwide so that there is an anxious requirement to develop the accurate, sensitive, rapid, and convenient detection techniques to tackle the problem. In regard to this matter, we reported two sensors for METH with synergistical alliance of sensitive electrochemiluminescence (ECL) quantification and specifically immune recognition. These sensors are applicable for point‐of‐care testing when equipped a portable ECL meter with outstanding performance, makes the feasibility of on‐spot analysis. The dual‐way analysis of immunosensors can be carried on, both exhibit unprecedented sensitivity toward METH. Here, AuNPs functioned indium tin oxide (ITO) coated polyethylene terephthalate (PET) is used as the basal electrode, providing excellent ECL background and supporting the sensing matrix. The real sample identification demonstrated the practicability and accuracy which met the requirement of forensic judgement and clinical treatment. This work provides a viable methodology and technology for a rapid and reliable analysis of hard drug abuser's samples.
Electrokinetic actuation of an uncharged polarizable dielectric droplet in charged hydrogel medium
Authors: Barman Sirsendu Sekhar , Bhattacharyya Somnath , Dutta Prashanta 
Published: January 2021

AbstractElectrokinetic transport of an uncharged nonconducting microsized liquid droplet in a charged hydrogel medium is studied. Dielectric polarization of the liquid drop under the action of an externally imposed electric field induces a non‐homogeneous charge density at the droplet surface. The interactions of the induced surface charge of the droplet with the immobile charges of the hydrogel medium generates an electric force to the droplet, which actuates the drop through the charged hydrogel medium. A numerical study based on the first principle of electrokinetics is adopted. Dependence of the droplet velocity on its dielectric permittivity, bulk ionic concentration, and immobile charge density of the gel is analyzed. The surface conduction is significant in presence of charged gel, which creates a concentration polarization. The impact of the counterion saturation in the Debye layer due to the dielectric decrement of the medium is addressed. The modified Nernst–Planck equation for ion transport and the Poisson equation for the electric field is considered to take into account the dielectric polarization. A quadrupolar vortex around the uncharged droplet is observed when the gel medium is considered to be uncharged, which is similar to the induced charge electroosmosis around an uncharged dielectric colloid in free‐solution. We find that the induced charge electrokinetic mechanism creates a strong recirculation of liquid within the droplet and the translational velocity of the droplet strongly depends on its size for the dielectric droplet embedded in a charged gel medium.