bluuebunny/crossref_metadata_2025 huggingface dataset:
Programmable Metal Nanoclusters with Atomic Precision
Authors: Li Yingwei , Zhou Meng , Jin Rongchao
Published: May 2021

With the recent establishment of atomically precise nanochemistry, capabilities toward programmable control over the nanoparticle size and structure are being developed. Advances in the synthesis of atomically precise nanoclusters (NCs, 1–3 nm) have been made in recent years, and more importantly, their total structures (core plus ligands) have been mapped out by X‐ray crystallography. These ultrasmall Au nanoparticles exhibit strong quantum‐confinement effect, manifested in their optical absorption properties. With the advantage of atomic precision, gold‐thiolate nanoclusters (Aun(SR)m) are revealed to contain an inner kernel, Au–S interface (motifs), and surface ligand (‐R) shell. Programming the atomic packing into various crystallographic structures of the metal kernel can be achieved, which plays a significant role in determining the optical properties and the energy gap (Eg) of NCs. When the size increases, a general trend is observed for NCs with fcc or decahedral kernels, whereas those NCs with icosahedral kernels deviate from the general trend by showing comparably smaller Eg. Comparisons are also made to further demonstrate the more decisive role of the kernel structure over surface motifs based on isomeric Au NCs and NC series with evolving kernel or motif structures. Finally, future perspectives are discussed.
Metal–Organic Frameworks and Metal–Organic Gels for Oxygen Electrocatalysis: Structural and Compositional Considerations
Authors: Wang Hao , Chen Biao‐Hua , Liu Di‐Jia
Published: May 2021

Increasing demand for sustainable and clean energy is calling for the next‐generation energy conversion and storage technologies such as fuel cells, water electrolyzers, CO2/N2 reduction electrolyzers, metal–air batteries, etc. All these electrochemical processes involve oxygen electrocatalysis. Boosting the intrinsic activity and the active‐site density through rational design of metal–organic frameworks (MOFs) and metal–organic gels (MOGs) as precursors represents a new approach toward improving oxygen electrocatalysis efficiency. MOFs/MOGs afford a broad selection of combinations between metal nodes and organic linkers and are known to produce electrocatalysts with high surface areas, variable porosity, and excellent activity after pyrolysis. Some recent studies on MOFs/MOGs for oxygen electrocatalysis and their new perspectives in synthesis, characterization, and performance are discussed. New insights on the structural and compositional design in MOF/MOG‐derived oxygen electrocatalysts are summarized. Critical challenges and future research directions are also outlined.
Golden Vaterite as a Mesoscopic Metamaterial for Biophotonic Applications
Authors: Noskov Roman E. , Machnev Andrey , Shishkin Ivan I. , Novoselova Marina V. , Gayer Alexey V. , Ezhov Alexander A. , Shirshin Evgeny A. , German Sergei V. , Rukhlenko Ivan D. , Fleming Simon , Khlebtsov Boris N. , Gorin Dmitry A. , Ginzburg Pavel
Published: May 2021

Mesoscopic photonic systems with tailored optical responses have great potential to open new frontiers in implantable biomedical devices. However, biocompatibility is typically a problem, as engineering of optical properties often calls for using toxic compounds and chemicals, unsuitable for in vivo applications. Here, a unique approach to biofriendly delivery of optical resonances is demonstrated. It is shown that the controllable infusion of gold nanoseeds into polycrystalline sub‐micrometer vaterite spherulites gives rise to a variety of electric and magnetic Mie resonances, producing a tuneable mesoscopic optical metamaterial. The 3D reconstruction of the spherulites demonstrates the capability of controllable gold loading with volumetric filling factors exceeding 28%. Owing to the biocompatibility of the constitutive elements, “golden vaterite” paves the way to introduce designer‐made Mie resonances to cutting‐edge biophotonic applications. This concept is exemplified by showing efficient laser heating of gold‐filled vaterite spherulites at red and near‐infrared wavelengths, highly desirable in photothermal therapy, and photoacoustic tomography.
Towards Large‐Scale Fabrication of Self‐Healable Functional Hydrogel Coatings for Anti‐Fog/Frost Surfaces and Flexible Sensors
Authors: Yan Yonggan , Cui Jiuyu , Qiu Xiaoyong , Liu Hanlian , Liu Xiang , Yao Peng , Huang Jun , Cui Xin , Liang Xiubing , Huang Chuanzhen
Published: May 2021

Hydrogel coatings have drawn substantial research interest owing to their great potential in developing advanced flexible devices. However, most of them cannot meet the requirement of large‐scale application on diverse substrates and would lose their functionalities under harsh conditions. In this work, a large‐scale and surface‐independent multifunctional hydrogel coating is developed by directly painting and ultraviolet curing hybrid hydrogel precursor containing acrylamide (AM), branched polyethylenimine (PEI), CaCl2, and glycerol. Such a coating shows superior anti‐fog and anti‐frost properties owing to the hydrophilic nature and freezing‐tolerance of the hydrogel. Besides, the hydrogel coating possesses excellent self‐healing performance at both macro‐ and micro‐ scales because of the dynamic hydrogen bonds prevailing between the polymer chains in a gel network. Moreover, this hydrogel coating also exhibits electric conductivity due to the mobile ions present in the gel network. By patterning the hydrogel coating onto an elastic substrate, a foldable tape sensor is fabricated which can sensitively distinguish short‐time click (≈0.1–0.2 s) from long‐time press (≈1–2 s) and detect electrical signals corresponding to cyclic bending deformation. This work provides practical demonstration of hydrogel coatings for engineering applications where anti‐fog, anti‐frosting, self‐healing, and electrically conductive properties are needed.
Silver‐Catalyzed Oxyphosphorylation of Unactivated Alkynes
Authors: Liu Binbin , Song Qingmin , Liu Zhaohong , Wang Zikun
Published: May 2021

Here, we describe an application of hydroazidation in the instant activation of alkynes for achieving the oxyphosphorylation of unactivated alkynes with diarylphosphinoyl radicals under mild reaction conditions. This reaction provides a method for accessing β‐ketophosphine oxides and phosphorus‐containing pyrroles.

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Processable Thiophene‐Based Polymers with Tailored Electronic Properties and their Application in Solid‐State Electrochromic Devices Using Nanoparticle Films
Authors: Moreira Tiago , Maria Francesca Di , Zangoli Mattia , Fabiano Eduardo , Manet Ilse , Mazzaro Raffaello , Morandi Vittorio , Marinelli Martina , Gigli Giuseppe , Parola António Jorge , Laia César A. T. , Barbarella Giovanna
Published: May 2021

The development of semiconductor polymers for electronic applications requires tailored synthetic strategies to obtain materials with tunable electronic properties and morphology to enhance their properties. Towards this goal, here is reported the expedient synthesis of a novel class of thiophene‐based electrochromic polymers, processable in organic solvents and as nanoparticles (NPs) in water. Their characterization and application in flexible solid‐state electrochromic devices (ECDs) are described. All polymers have a repeat unit made of the same linear thienyl–phenyl–thienyl–thienyl fragment. The tuning of the electro‐optical properties is achieved by introducing alkyl or alkoxy substituents in thiophene and/or by the presence of either CHCH or CH2CH2 linkers connecting the repeat units and acting as conjugation modulators. The ECDs display a bright yellow or red/magenta color in the neutral state and dark blue in the oxidized state. Redox potentials, color contrast, switching time, and stability of the devices are reported, and it is demonstrated that the use of NPs films spray‐coated from water instead of cast films from chloroform significantly improves their performance. Density functional theory calculations allow to elucidate the relationship between polymer structure and electrochromic properties and shed light on electronic structure changes upon oxidation, in agreement with spectroelectrochemistry.
Closed‐loop dynamic real‐time optimization with stabilizing model predictive control
Authors: Ramesh Praveen Sundaresan , Swartz Christopher L. E. , Mhaskar Prashant
Published: May 2021

Dynamic real‐time optimization (DRTO) is a supervisory strategy at the upper level of the industrial process automation architecture that computes economically optimal set‐point trajectories that are in turn passed on to the lower‐level model predictive control (MPC) for tracking. The economically optimal solution, in several process industries, could lead to operating the plant at or around an unstable steady state. The present article accounts for this by developing a closed‐loop DRTO (CL‐DRTO) formulation that enables handling unstable operating points via an underlying MPC with stability constraints. To this end, a stabilizing MPC that handles trajectory tracking for unstable systems is embedded within the upper‐level DRTO. The resulting CL‐DRTO problem is reformulated by applying a simultaneous solution approach. The economic benefits realized by the proposed strategy are illustrated through applications to both linearized and nonlinear dynamic models for single‐input single‐output and multi‐input multi‐output continuous stirred tank reactor case studies.
Literature review: Genetic conditions or anomalies in artworks
Authors: Toriello Helga V.
Published: May 2021

This is a literature review of publications describing artworks that include depictions of individuals with suspected genetic conditions or congenital anomalies. Types of artwork described in the identified papers included drawings, paintings, sculptures, carvings, or pottery. The papers included in this review consisted of general reviews, reviews of depictions of specific conditions, reviews of individual artists who had portrayed subjects with genetic conditions or anomalies, and artwork that generated discussions on possible diagnoses. Papers describing a single work were not included in this review.
Mythological figures in art and genetics: Current perspectives on cyclopia and chimerism
Authors: Syrrou Maria , Batistatou Anna , Zoubouli Maria , Pampanos Andreas
Published: May 2021

Mythical figures have been part of human cultural tradition for centuries, worldwide. Some of them were totally imaginary, others were likely inspired by individuals with malformation syndromes, while others are composites of parts of different species. Various artists have created works of art based on these mythical or hybrid beings, such as cyclops and chimeras. The plethora of representations of artworks in ancient, but also contemporary art (statues, paintings, illustrations, photographs, installations) is proof that they still continue to be a source of inspiration, although their rendering and interpretation have changed over time. Contemporary medical genetic knowledge has revealed the underlying pathogenesis and causative molecular basis of malformation syndromes and delineates the corresponding phenotypes. Today, many figures once viewed as mythical are reflected in living humans with medical diagnoses. Ancient terms that arose in mythology—cyclopia, chimera/ism, and others—live on in the medical literature.
Can a Christ child have Down syndrome?
Authors: Skotko Brian G.
Published: May 2021

Virgin and Child, a painting attributed to a follower of Andrea Mantegna completed around 1460, is currently in storage at the Museum of Fine Arts in Boston. With special supervised permission, I have visited the painting three times to assess whether this Christ child might have Down syndrome. My conclusion evolved each time—as did my appreciation for the synergy between physicians and art historians.
Cross‐cultural representations of conjoined twins
Authors: Tekendo‐Ngongang Cedrik , Williams Keith J. , Williams Marc S.
Published: May 2021

Conjoined twinning is a rare birth defect estimated to occur in about 1 in 50,000 to 100,000 births. The mechanism of conjoined twinning is not proven. Different forms of conjoined twinning are observed with the thoracopagus form being the most common. The rate of conjoined twinning is similar across all major populations. A dramatic malformation of this type would be an extraordinary occurrence leading people to reflect on the spiritual or supernatural nature of such an event. Therefore, it is not surprising that artifacts that seem to depict different forms of conjoined twins are seen across diverse cultures. In this article, we present a survey of these cultural artifacts including anatomic classification based on external anatomy and an exploration of the cultural and spiritual contexts associated with the artifacts. A key finding is that the most common form of conjoined twinning in the artifacts is parapagus (both dicephalus and diprosopus) in contrast to thoracopagus, the most common form in epidemiologic studies. Potential reasons for this difference are discussed. Evidence is presented to support the speculation that these objects represent artistic impressions of actual conjoined twinning events.
Longitudinal CSF proteomics identifies NPTX2 as a prognostic biomarker of Alzheimer's disease
Authors: Libiger Ondrej , Shaw Leslie M. , Watson Mark H. , Nairn Angus C. , Umaña Kelly L. , Biarnes Michael C. , Canet‐Avilés Rosa M. , Jack Clifford R. , Breton Yannick‐André , Cortes Laetitia , Chelsky Daniel , Spellman Daniel S. , Baker Susan A. , Raghavan Nandini , Potter William Z. ,   Alzheimer's Disease Neuroimaging Initiative (ADNI),   Foundation for the National Institutes of Health (FNIH) Biomarkers Consortium, Longitudinal CSF Proteomics Project Team
Published: May 2021

Introduction: Biomarkers that reflect pathologic processes affecting neuronal function during preclinical and early stages of Alzheimer's disease (AD) are needed to aid drug development.

Methods: A targeted, stable isotope, quantitative mass spectrometry‐based investigation of longitudinal changes in concentrations of previously identified candidate biomarkers was performed in cerebrospinal fluid (CSF) of Alzheimer's Disease Neuroimaging Initiative participants who were classified as cognitively normal (CN; n = 76) or with mild cognitive impairment (MCI; n = 111) at baseline.

Results: Of the candidate biomarkers, the CSF concentration of neuronal pentraxin 2 (NPTX2), a protein involved in synaptic function, exhibited rates of change that were significantly different between three comparison groups (i.e., CN vs. MCI participants; AD pathology positive vs. negative defined by phosphorylated tau181/amyloid beta1‐42 ratio; and clinical progressors vs. non‐progressors). The rate of change of NPTX2 also significantly correlated with declining cognition.

Discussion: CSF NPTX2 concentration is a strong prognostic biomarker candidate of accelerated cognitive decline with potential use as a therapeutic target.
Health utility in preclinical and prodromal Alzheimer's disease for establishing the value of new disease‐modifying treatments—EQ‐5D data from the Swedish BioFINDER study
Authors: Gustavsson Anders , Raket Lars Lau , Lilja Mathias , Rutten‐Jacobs Loes , Fues Wahl Hanna , Bagijn Marloes , Stomrud Erik , Hansson Oskar , Palmqvist Sebastian
Published: May 2021

Quality of life and health utility are important outcomes for patients with Alzheimer's disease (AD) and central for demonstrating the value of new treatments. Estimates in biomarker‐confirmed AD populations are missing, potentially delaying payer approval of treatment. We examined whether health utility, assessed with the EuroQoL‐5 3‐level version (EQ‐5D‐3L), differed between individuals with a positive or negative amyloid beta (Aβ) biomarker in patients with mild cognitive impairment (MCI) and cognitively unimpaired (CU) participants from the Swedish BioFINDER study (n = 578). Participants with prodromal AD (Aβ‐positive MCI) reported better health utility (n = 79, mean = 0.81, 95% confidence interval [CI] 0.77–0.85) than Aβ‐negative MCI (mean = 0.71, 95% CI 0.64–0.78), but worse than controls (Aβ‐negative CU, mean = 0.87, 95% CI 0.86–0.89). Health utility in preclinical AD (Aβ‐positive CU; mean = 0.86, 95% CI 0.83–0.89) was similar to controls. This relatively good health utility in prodromal AD suggests a larger value of delaying progression to dementia than previously anticipated and a great value of delaying clinical progression in preclinical AD.
Towards clinical application of tau PET tracers for diagnosing dementia due to Alzheimer's disease
Authors: Ossenkoppele Rik , Hansson Oskar
Published: May 2021

The recent development of several tau positron emission tomography (PET) tracers represents a major milestone for the Alzheimer's disease (AD) field. These tau PET tracers bind tau neurofibrillary tangles, a key neuropathological characteristic of AD that is tightly linked to synaptic loss, brain atrophy, and cognitive decline. It is notable that these tau PET tracers show low uptake in most non‐AD tauopathies and other neurodegenerative disorders, resulting in a diagnostic specificity that is superior to that of amyloid beta (Aβ) PET and biofluid markers, especially at an older age when incidental Aβ pathology is common. Furthermore, tau PET tracers diagnostically outperform widely used MRI markers. Given its excellent diagnostic performance due to the combination of high sensitivity and specificity for detecting tau pathology in AD dementia, we hypothesize that tau PET can become an important diagnostic tool in specialized clinics for the differential diagnosis of dementia syndromes where AD is among the major possible underlying diseases.
Harmonizing neuropsychological assessment for mild neurocognitive disorders in Europe
Authors: Boccardi Marina , Monsch Andreas U. , Ferrari Clarissa , Altomare Daniele , Berres Manfred , Bos Isabelle , Buchmann Andreas , Cerami Chiara , Didic Mira , Festari Cristina , Nicolosi Valentina , Sacco Leonardo , Aerts Liesbeth , Albanese Emiliano , Annoni Jean‐Marie , Ballhausen Nicola , Chicherio Christian , Démonet Jean‐François , Descloux Virginie , Diener Suzie , Ferreira Daniel , Georges Jean , Gietl Anton , Girtler Nicola , Kilimann Ingo , Klöppel Stefan , Kustyniuk Nicole , Mecocci Patrizia , Mella Nathalie , Pigliautile Martina , Seeher Katrin , Shirk Steven D. , Toraldo Alessio , Brioschi‐Guevara Andrea , Chan Kwun C. G. , Crane Paul K. , Dodich Alessandra , Grazia Alice , Kochan Nicole A , de Oliveira Fabricio Ferreira , Nobili Flavio , Kukull Walter , Peters Oliver , Ramakers Inez , Sachdev Perminder S. , Teipel Stefan , Visser Pieter Jelle , Wagner Michael , Weintraub Sandra , Westman Eric , Froelich Lutz , Brodaty Henry , Dubois Bruno , Cappa Stefano F. , Salmon David , Winblad Bengt , Frisoni Giovanni B. , Kliegel Matthias ,   the Consortium for the Harmonization of Neuropsychological Assessment for Neurocognitive Disorders (https://nextcloud.dzne.de/index.php/s/EwXjLab9caQTbQe)
Published: May 2021

Introduction

Harmonized neuropsychological assessment for neurocognitive disorders, an international priority for valid and reliable diagnostic procedures, has been achieved only in specific countries or research contexts.

Methods

To harmonize the assessment of mild cognitive impairment in Europe, a workshop (Geneva, May 2018) convened stakeholders, methodologists, academic, and non‐academic clinicians and experts from European, US, and Australian harmonization initiatives.

Results

With formal presentations and thematic working‐groups we defined a standard battery consistent with the U.S. Uniform DataSet, version 3, and homogeneous methodology to obtain consistent normative data across tests and languages. Adaptations consist of including two tests specific to typical Alzheimer's disease and behavioral variant frontotemporal dementia. The methodology for harmonized normative data includes consensus definition of cognitively normal controls, classification of confounding factors (age, sex, and education), and calculation of minimum sample sizes.

Discussion

This expert consensus allows harmonizing the diagnosis of neurocognitive disorders across European countries and possibly beyond.
Body mass index in early adulthood and dementia in late life: Findings from a pooled cohort
Authors: Zeki Al Hazzouri Adina , Vittinghoff Eric , Hoang Tina , Golden Sherita H. , Fitzpatrick Annette L. , Zhang Adina , Grasset Leslie , Yaffe Kristine
Published: May 2021

Introduction

To examine the independent association of body mass index (BMI) in early adulthood with dementia incidence among men and women.

Methods

We studied 5104 older adults from the Cardiovascular Health Study (CHS) and the Health, Aging, and Body Composition (Health ABC) study. We imputed early adulthood and midlife BMI using a pooled parent cohort with complete adult lifespan coverage and previously established methods. Dementia was ascertained using criteria such as neuropsychological test battery, medical records, and dementia‐related drug use. Pooled logistic regression (PLR) models were used.

Results

Compared to women with normal BMI in early adulthood, the odds of dementia were higher among both overweight (odds ratio [OR] = 1.8; 95% confidence interval [CI] = 1.31 to 2.54) and obese (OR = 2.45; 95% CI = 1.47 to 4.06) women, independent of mid‐ and late‐life BMI. Similar relationship was observed in men.

Conclusions

With the growing obesity epidemic among US adults, efforts aimed at reducing dementia may need to begin obesity prevention and treatment early in the life course.
Surface‐Adsorbed Carboxylate Ligands on Layered Double Hydroxides/Metal–Organic Frameworks Promote the Electrocatalytic Oxygen Evolution Reaction
Authors: Li Cheng‐Fei , Zhao Jia‐Wei , Xie Ling‐Jie , Wu Jin‐Qi , Ren Qian , Wang Yu , Li Gao‐Ren
Published: May 2021

Metal–organic frameworks (MOFs) with carboxylate ligands as co‐catalysts are very efficient for the oxygen evolution reaction (OER). However, the role of local adsorbed carboxylate ligands around the in‐situ‐transformed metal (oxy)hydroxides during OER is often overlooked. We reveal the extraordinary role and mechanism of surface‐adsorbed carboxylate ligands on bi/trimetallic layered double hydroxides (LDHs)/MOFs for OER electrocatalytic activity enhancement. The results of X‐ray photoelectron spectroscopy (XPS), synchrotron X‐ray absorption spectroscopy, and density functional theory (DFT) calculations show that the carboxylic groups around metal (oxy)hydroxides can efficiently induce interfacial electron redistribution, facilitate an abundant high‐valence state of nickel species with a partially distorted octahedral structure, and optimize the d‐band center together with the beneficial Gibbs free energy of the intermediate. Furthermore, the results of in situ Raman and FTIR spectra reveal that the surface‐adsorbed carboxylate ligands as Lewis base can promote sluggish OER kinetics by accelerating proton transfer and facilitating adsorption, activation, and dissociation of hydroxyl ions (OH−).
H2O‐Built Proton Transfer Bridge Enhances Continuous Methane Oxidation to Methanol over Cu‐BEA Zeolite
Authors: Xu Ruinian , Liu Ning , Dai Chengna , Li Yan , Zhang Jie , Wu Bin , Yu Gangqiang , Chen Biaohua
Published: May 2021

Direct oxidation of methane to methanol (DMTM) is a big challenge in C1 chemistry. We present a continuous N2O‐DMTM investigation by simultaneously introducing 10 vol % H2O into the reaction system over Cu‐BEA zeolites. Combining a D2O isotopic tracer technique and ab initio molecular dynamics (AIMD) simulation, we for the first time demonstrate that the H2O molecules can participate in the reaction through a proton transfer route, wherein the H2O molecules can build a high‐speed proton transfer bridge between the generated moieties of CH3− and OH− over the evolved mono(μ‐oxo) dicopper ([Cu‐O‐Cu]2+) active site, thereby pronouncedly boosting the CH3OH selectivity (3.1→71.6 %), productivity (16.8→242.9 μmol gcat−1 h−1) and long‐term reaction stability (10→70 h) relative to the scenario of absence of H2O. Unravelling the proton transfer of H2O over the dicopper [Cu‐O‐Cu]2+ site would substantially contribute to highly efficient catalyst designs for the continuous DMTM.
Brazil's struggles and strengths in biomedical sciences and healthcare: A conversation with the former minister of health Nelson Teich
Authors: Teich Nelson , Curcio Daniella , Lucas Marcio , Laitman Jeffrey
Published: May 2021

This commentary is a summary of two conversations among Brazilian former Minister of Health and oncologist Nelson Teich; Brazilian thoracic surgeon, Marcio Lucas; and anatomists Jeffrey Laitman and Daniella Curcio. We discuss a number of topics in Medical Education, Biomedical Science, and Healthcare, including the different stages of the Brazilian response to the COVID‐19 pandemic. The discussions also explore: Brazil's and Brazilians strengths and struggles in the advancement of biomedicine; universal barriers to furthering advances; and problems specific to Brazil.
Prediction of Differential Pharmacologic Response in Chronic Pain Using Functional Neuroimaging Biomarkers and a Support Vector Machine Algorithm: An Exploratory Study
Authors: Ichesco Eric , Peltier Scott J. , Mawla Ishtiaq , Harper Daniel E. , Pauer Lynne , Harte Steven E. , Clauw Daniel J. , Harris Richard E.
Published: May 2021

Objective

There is increasing demand for prediction of chronic pain treatment outcomes using machine‐learning models, in order to improve suboptimal pain management. In this exploratory study, we used baseline brain functional connectivity patterns from chronic pain patients with fibromyalgia (FM) to predict whether a patient would respond differentially to either milnacipran or pregabalin, 2 drugs approved by the US Food and Drug Administration for the treatment of FM.

Methods

FM patients participated in 2 separate double‐blind, placebo‐controlled crossover studies, one evaluating milnacipran (n = 15) and one evaluating pregabalin (n = 13). Functional magnetic resonance imaging during rest was performed before treatment to measure intrinsic functional brain connectivity in several brain regions involved in pain processing. A support vector machine algorithm was used to classify FM patients as responders, defined as those with a ≥20% improvement in clinical pain, to either milnacipran or pregabalin.

Results

Connectivity patterns involving the posterior cingulate cortex (PCC) and dorsolateral prefrontal cortex (DLPFC) individually classified pregabalin responders versus milnacipran responders with 77% accuracy. Performance of this classification improved when both PCC and DLPFC connectivity patterns were combined, resulting in a 92% classification accuracy. These results were not related to confounding factors, including head motion, scanner sequence, or hardware status. Connectivity patterns failed to differentiate drug nonresponders across the 2 studies.

Conclusion

Our findings indicate that brain functional connectivity patterns used in a machine‐learning framework differentially predict clinical response to pregabalin and milnacipran in patients with chronic pain. These findings highlight the promise of machine learning in pain prognosis and treatment prediction.
The Value of Magnetic Resonance Imaging for Assessing Disease Extent and Prediction of Relapse in Early Peripheral Spondyloarthritis
Authors: Renson Thomas , Carron Philippe , De Craemer Ann‐Sophie , Deroo Liselotte , de Hooge Manouk , Krabbe Simon , Jans Lennart , Østergaard Mikkel , Elewaut Dirk , Van den Bosch Filip
Published: May 2021

Objective

This study was undertaken to assess the inflammatory burden in peripheral spondyloarthritis (SpA) by magnetic resonance imaging (MRI) of the legs in an early remission–induction strategy study of tumor necrosis factor (TNF) blockade. Furthermore, we sought to determine the value of MRI to predict disease relapse versus sustained remission after treatment discontinuation.

Methods

Thirty‐two patients with early peripheral SpA with involvement of the legs determined on clinical examination and confirmed by ultrasonography (US) participated in a remission‐induction trial of a TNF inhibitor (TNFi). Patients underwent MRI of the joints and entheses of the legs at baseline and at clinical remission, after which TNFi treatment was withdrawn. Images were evaluated for joint effusion, joint osteitis, entheseal soft tissue inflammation, and entheseal osteitis.

Results

Joint effusion and enthesitis on clinical examination and US correlated well with MRI abnormalities. In addition, a substantial amount of subclinical involvement was seen on MRI, mainly in the ankle joints and heel entheses. Inflammation scores were markedly lower in the subclinically involved joints and entheses versus those that were clinically involved (P values ranged from 0.01 to <0.001). Inflammatory load on MRI decreased significantly upon TNFi treatment (P < 0.001). Whereas 80% of the joints that were clinically involved at baseline showed no effusion on remission MRI, 2 of 3 entheses involved at baseline showed residual inflammation. In addition, patients who experienced a relapse after treatment discontinuation displayed more entheseal soft tissue inflammation on remission MRI compared to those who maintained drug‐free remission (P = 0.028).

Conclusion

Our findings delineate a differential response of synovitis and enthesitis, with enthesitis on MRI being less responsive to TNFi treatment. Furthermore, residual entheseal inflammation might be indicative of the need for continuous therapy.
Relationship Between Rheumatoid Arthritis and Pulmonary Function Measures on Spirometry in the UK Biobank
Authors: Prisco Lauren , Moll Matthew , Wang Jiaqi , Hobbs Brian D. , Huang Weixing , Martin Lily W. , Kronzer Vanessa L. , Huang Sicong , Silverman Edwin K. , Doyle Tracy J. , Cho Michael H. , Sparks Jeffrey A.
Published: May 2021

Objective

To investigate the independent relationship of rheumatoid arthritis (RA) to the type and severity of pulmonary patterns on spirometry compared to the pulmonary patterns in general population controls.

Methods

In this cross‐sectional study, we investigated the association of RA with pulmonary function measures on spirometry among subjects in the UK Biobank who underwent spirometry for research purposes. RA cases were identified based on self‐report and current disease‐modifying antirheumatic drug/glucocorticoid use. Controls were subjects without RA from the general population. Outcome measures included continuous forced expiratory volume in 1 second percent predicted (FEV1%) and forced vital capacity percent predicted (FVC%), type of spirometric pattern (restrictive or obstructive), and severity of the restrictive or obstructive pattern. We used multivariable regression to estimate the effects in RA cases compared to the effects in controls, adjusting for age, sex, body mass index, and smoking status/pack‐years.

Results

Among 350,776 analyzed subjects who underwent spirometry (mean age 56.3 years; 55.8% female; 45.5% ever smokers), we identified 2,008 cases of treated RA. In multivariable analyses, RA was associated with lower FEV1% (β = –2.93 [95% confidence interval (95% CI) –3.63, –2.24]), FVC% (β = –2.08 [95% CI –2.72, –1.45]), and FEV1/FVC (β = –0.008 [95% CI –0.010, –0.005]) compared to controls. RA was additionally associated with restrictive patterns (odds ratio [OR] 1.36 [95% CI 1.21, 1.52]) and obstructive patterns (OR 1.21 [95% CI 1.07, 1.37]) independent of confounders, and was most strongly associated with severe restrictive and obstructive patterns.

Conclusion

RA is associated with increased odds of restrictive and obstructive patterns, and this relationship is not explained by confounders, including smoking status. In addition to restrictive lung disease, clinicians should also be aware that airway obstruction may be a pulmonary manifestation of RA.
Recent advances in the microbial production of C4 alcohols by metabolically engineered microorganisms
Authors: Yoo Jee In , Sohn Yu Jung , Son Jina , Jo Seo Young , Pyo Jiwon , Park Su Kyeong , Choi Jong‐Il , Joo Jeong Chan , Kim Hee Taek , Park Si Jae
Published: May 2021

Background

The heavy global dependence on petroleum‐based industries has led to serious environmental problems, including climate change and global warming. As a result, there have been calls for a paradigm shift towards the use of biorefineries, which employ natural and engineered microorganisms that can utilize various carbon sources from renewable resources as host strains for the carbon‐neutral production of target products.

Purpose and Scope

C4 alcohols are versatile chemicals that can be used directly as biofuels and bulk chemicals and in the production of value‐added materials such as plastics, cosmetics, and pharmaceuticals. C4 alcohols can be effectively produced by microorganisms using DCEO biotechnology (tools to design, construct, evaluate, and optimize) and metabolic engineering strategies.

Summary of New Synthesis and Conclusions

In this review, we summarize the production strategies and various synthetic tools available for the production of C4 alcohols and discuss the potential development of microbial cell factories, including the optimization of fermentation processes, that offer cost competitiveness and potential industrial commercialization.
Reduce liability by planning ahead, treading carefully when enforcing pandemic‐related expectations
Authors: McCarthy Claudine
Published: May 2021

As you hurried to develop and implement pandemic‐ related expectations during the fast‐paced changes  of the past year, your main concerns centered on protecting the health and safety of your campus community. But now's the time to also ensure you're protecting your institution's legal liability when enforcing compliance with those expectations, according to legal experts who presented a virtual session of the Association for Student Conduct Administration's annual conference.
Consider how free speech case could impact disability discrimination complaint resolutions
Authors: Charmatz Marc
Published: May 2021

While it may be too early to fully comprehend the ramification of Uzuegbunam v. Preczewski, 592 U.S. ___ (2021), the United States Supreme Court 8–1 recent decision authored by Justice Clarence Thomas may have a profound impact on colleges and universities because students with disabilities, indeed all students, may now be entitled to sue for nominal damages even after a postsecondary institution eliminates a discriminatory policy.
Implementing solution‐focused brief therapy to facilitate hope and subjective well‐being among South African trauma survivors: A case study
Authors: Joubert Jolize , Guse Tharina
Published: May 2021

Positive psychology interventions have been shown to improve well‐being in various contexts. However, few studies have explored the use of these approaches in clinical settings. Considering the high prevalence of trauma and the pressure on public mental health services in South Africa, this study implemented and described solution‐focused brief therapy (SFBT) with South African trauma survivors in order to explore their experiences of hope and subjective well‐being (SWB), during and after exposure to SFBT. Using a multiple case study design, qualitative data were collected from therapeutic sessions and semi‐structured individual interviews with seven black female participants. Following thematic analysis, results indicated that SFBT contributed towards participants’ experiences of hope and SWB. In particular, the therapeutic conversation, empathy and acceptance in therapy, visualising a better future and focusing on strengths instead of the trauma facilitated these experiences. SFBT may thus be an appropriate intervention to facilitate hope and SWB among trauma survivors.
Ratiometric Detection of Glutathione Based on Disulfide Linkage Rupture between a FRET Coumarin Donor and a Rhodamine Acceptor
Authors: Zhang Yibin , Xia Shuai , Wan Shulin , Steenwinkel Tessa E. , Vohs Tara , Luck Rudy L. , Werner Thomas , Liu Haiying
Published: May 2021

Abnormal levels of glutathione, a cellular antioxidant, can lead to a variety of diseases. We have constructed a near‐infrared ratiometric fluorescent probe to detect glutathione concentrations in biological samples. The probe consists of a coumarin donor, which is connected through a disulfide‐tethered linker to a rhodamine acceptor. Under the excitation of the coumarin donor at 405 nm, the probe shows weak visible fluorescence of the coumarin donor at 470 nm and strong near‐infrared fluorescence of the rhodamine acceptor at 652 nm due to efficient Forster resonance energy transfer (FRET) from the donor to the acceptor. Glutathione breaks the disulfide bond through reduction, which results in a dramatic increase in coumarin fluorescence and a corresponding decrease in rhodamine fluorescence. The probe possesses excellent cell permeability, biocompatibility, and good ratiometric fluorescence responses to glutathione and cysteine with a self‐calibration capability. The probe was utilized to ratiometrically visualize glutathione concentration alterations in HeLa cells and Drosophila melanogaster larvae.
Real world outcomes using 20 mm balloon expandable SAPIEN 3/ultra valves compared to larger valves (23, 26, and 29 mm)–a propensity matched analysis
Authors: Eng Marvin H. , Abbas Amr E. , Hahn Rebecca T. , Lee James , Wang Dee Dee , Eleid Mackram F. , O'Neill William W.
Published: May 2021

Objective/Background

Small balloon expandable valves have higher echocardiographic transvalvular gradients and rates of prosthesis‐patient mismatch (PPM) compared to larger valves. However, the impact of these echocardiographic findings on clinical outcomes is unknown. We sought to determine the clinical outcomes of 20 mm SAPIEN 3 (S3 BEV) compared to larger S3 BEV in relation to echocardiographic hemodynamics.

Methods

Using the STS/ACC transcatheter valve registry, we performed a propensity‐matched comparison of patients undergoing treatment of native aortic valve stenosis using transfemoral, balloon‐expandable implantation of 20 mm and ≥ 23 mm S3 BEVs. Baseline and procedure characteristics, echocardiographic variables and survival were analyzed. Multivariable logistic regression was used to identify predictors of 1‐year mortality.

Results

After propensity matching of the 20 mm and ≥ 23 mm SAPIEN 3 valves, 3,931 pairs with comparable baseline characteristics were identified. Small valves were associated with significantly higher echocardiographic gradients at discharge (15.7 ± 7.1 mmHg vs. 11.7 ± 5.5 mmHg, p < 0.0001) and severe PPM rates (21.5% vs. 9.7%, p < 0.0001). There was no significant difference in 1‐year all‐cause mortality (20 mm: 13.0% vs. ≥23 mm: 12.7%, p = 0.72) or other major adverse event rates and outcomes between the two cohorts. Based on a multivariable analysis, elevated discharge mean gradient (>20 mmHg), severe PPM and the use of 20 mm versus ≥23 mm were not independent predictors of 1‐year mortality.

Conclusion

SAPIEN 3 20 mm valves were associated with higher echocardiographic gradients, and severe PPM rates compared to larger valves but these factors were not associated with significant differences in 1‐year all‐cause mortality or rehospitalization.
Calibration model fusion
Authors: Halberg Helene Fog Froriep , Holst Anette Yde , Kaufmann Niels , Bro Rasmus
Published: May 2021

Calibration model maintenance is often overlooked but is a significant part of successful use of multivariate calibration models, for example, in process monitoring and optimization. In some cases, companies are maintaining tens or even hundreds of calibration models. This could be partial least squares (PLS) calibration models pertaining to different recipes or raw materials or neural network based models covering different production sites. Maintaining such a high number of models is cumbersome and expensive. Sometimes, a solution presented for this problem is to merge all the models into one, but this often comes at the expense of significantly higher prediction errors. In this paper, we suggest a new approach for rationally merging calibration models in order to optimally balance the prediction error and maintenance workload. We do this by systematically merging models that lower the error as much as possible and hence provide a sort of optimal clustering or fusion of calibration models. We showcase the new approach on a case based on infrared spectroscopy applied to dairy production.
Synergistic Ir/Cu Catalysis for Asymmetric Allylic Alkylation of Oxindoles: Enantio‐ and Diastereoselective Construction of Quaternary and Tertiary Stereocenters
Authors: Wang Tianhong , Peng Youbin , Li Guanlin , Luo Yicong , Ye Yong , Huo Xiaohong , Zhang Wanbin
Published: May 2021

3,3‐Disubstituted oxindoles bearing quaternary and tertiary stereogenic centers are privileged structural motifs, which widely exist in pharmaceutical and natural products. Herein, a highly regio‐, enantio‐, and diastereoselective allylic alkylation of 3‐alkyl oxindoles through synergistic iridium and copper catalysis is described, which provides a series of 3,3‐disubstituted oxindole derivatives containing adjacent quaternary and tertiary stereogenic centers in excellent yields, enantiomeric excess, and diastereomeric ratio (for 30 examples, up to 97 % yield, >99 % ee, and >20 : 1 dr). This method provides exclusive branched selectivity, excellent enantio‐ and diastereoselectivities, and good functional compatibility. Control experiments suggested that the chiral copper catalyst is required for achieving high reactivities and diastereoselectivities under mild reaction conditions.
Rapid and Scalable Synthesis of Prussian Blue Analogue Nanocubes for Electrocatalytic Water Oxidation†
Authors: Sun Wenbin , Wei Zimeng , Qi Jindi , Kang Luyao , Li Jiechen , Xie Junfeng , Tang Bo , Xie Yi
Published: May 2021

Main observation and conclusion

Design and fabrication of earth‐abundant electrocatalysts for oxygen evolution reaction (OER) is essential in improving the overall efficiency of water electrolysis. In this work, we proposed a rapid and scalable synthesis route for fabricating Prussian blue analogue (PBA) nanocubes with tunable compositions and uniform particle size. With the structural benefits of abundant surface sites, facile charge transfer behavior and favorable Co2+‐to‐Co3+ pre‐oxidation reaction, fast generation and accumulation of the catalytically active Co3+ sites can be achieved for the CoCo PBA nanocubes, leading to remarkable OER activity with simultaneously achieved low overpotential, large anodic current density, small Tafel slope as well as outstanding intrinsic activity. Of note, by performing long‐term OER operation, the CoCo PBA nanocubes exhibit a remarkable 5.5‐folds performance enhancement, and obvious surface reconstruction and the accumulation of high‐valence Co species can be identified, proving the crucial role of pre‐oxidation process in boosting the OER catalysis. This work proposed a universal approach for the rapid, scalable and controllable fabrication of the PBA‐based materials, and the elucidation of the pre‐oxidation process in facilitating the OER catalysis may provide useful guidance for designing and optimizing advanced catalysts for energy‐related electro‐oxidation reactions in the future.
Comparative Study of Different Types of Hydrological Models Applied to Hydrological Simulation
Authors: Gui Hanliang , Wu Zhiguo , Zhang Chunping
Published: May 2021

The hydrological model is one of the key methods in hydrological research and management, which can be divided into physical model and mathematical model. In order to explore the applicability of different models in hydrological simulation, the physical model Hydrologic Simulation Program‐FORTRAN (HSPF), the mathematical models Autoregressive Integrated Moving Average (ARIMA) and Back Propagation Neural Network (BPNN) are built to simulate the hydrological process of Sanya River, China. First, the result shows that all three models have good performance, but the HSPF model has the best performance followed by the ARIMA and the BPNN model with the lowest performance. Next, the effect of time step on the performance of the BPNN and ARIMA models is obviously greater than for the HSPF model. Finally, the applicability of various models is discussed by combining the modeling process and data requirements of the model, and the applicability of the mathematical model in the hydrological simulation of watersheds with insufficient data is confirmed.
Polygenic Risk Scores
Authors: Osterman Michael D. , Kinzy Tyler G. , Bailey Jessica N. Cooke
Published: May 2021

As genome‐wide association studies have continued to identify loci associated with complex traits, the implications of and necessity for proper use of these findings, including prediction of disease risk, have become apparent. Many complex diseases have numerous associated loci with detectable effects implicating risk for or protection from disease. A common contemporary approach to using this information for disease prediction is through the application of genetic risk scores. These scores estimate an individual's liability for a specific outcome by aggregating the effects of associated loci into a single measure as described in the previous version of this article. Although genetic risk scores have traditionally included variants that meet criteria for genome‐wide significance, an extension known as the polygenic risk score has been developed to include the effects of more variants across the entire genome. Here, we describe common methods and software packages for calculating and interpreting polygenic risk scores. In this revised version of the article, we detail information that is needed to perform a polygenic risk score analysis, considerations for planning the analysis and interpreting results, as well as discussion of the limitations based on the choices made. We also provide simulated sample data and a walkthrough for four different polygenic risk score software. © 2021 Wiley Periodicals LLC.

This article was corrected on 28 July 2022. See the end of the full text for details.