bluuebunny/crossref_metadata_2025 huggingface dataset:
Medulläres Schilddrüsenkarzinom
Authors: Kroiss Matthias , Koehler Viktoria Florentine , Spitzweg Christine
Published: November 2021

Was ist neu?

Diagnose und Prognose Calcitonin ist ein sensitiver und spezifischer Tumormarker zur Früherkennung und Verlaufskontrolle des MTC. Daneben kommt dem Ultraschall der Schilddrüse eine entscheidende Rolle zu.

Rolle des RET-Proto-Onkogens Das medulläre Schilddrüsenkarzinom (MTC) nimmt seinen Ursprung aus den parafollikulären Calcitonin-produzierenden C-Zellen. Es macht nur ca. 3–8 % aller Schilddrüsenkarzinome aus. Aktivierende Mutationen im RET (rearranged during transfection)-Gen liegen bei etwa 25 % der Patienten in der Keimbahn vor, werden aber auch beim sporadischen MTC als somatische Mutationen in ca. 60 % der Fälle beobachtet. Bei metastasierter Erkrankung findet sich in 90 % eine RET-Mutation. RET-Mutationen gelten als Treibermutationen und schließen weitere Treibermutationen weitestgehend aus. Seltener sind somatische Mutationen der RAS-Gene.

Chirurgische Therapie Die chirurgische Resektion ist bis heute der einzige kurative Therapieansatz. Entscheidend für eine frühzeitige Diagnosestellung ist die Bestimmung des Serum-Calcitonins bei Nachweis von Schilddrüsenknoten. Die chirurgische Therapie steht auch bei der Behandlung lokoregionärer Rezidive oder lokal angehbarer Metastasen im Zentrum.

Systemtherapie Bei irresektabel fortgeschrittener und progredienter Erkrankung mit signifikanter Tumorlast kann eine systemische Therapie erforderlich werden. Neuerdings ist die Kenntnis einer RET-Mutation im Tumorgewebe therapeutisch relevant, da mit den selektiven RET-Inhibitoren Selpercatinib und zukünftig Pralsetinib neue, effektive und gut verträgliche Systemtherapien zur Verfügung stehen. Ihr Einsatz ist nach Vortherapie mit einem der Multityrosinkinase-Inhibitoren Vandetanib oder Cabozantinib zugelassen und wird derzeit in der Erstlinientherapie in klinischen Studien untersucht.
COVID-19 und rheumatische Erkrankungen – bisherige Erkenntnisse der Pandemie
Authors: Hasseli Rebecca , Ladner Ulf Müller
Published: November 2021

Was ist neu?

COVID-19 bei Patienten mit entzündlich-rheumatischen Erkrankungen Eine erhöhte Entzündungsaktivität bei Patienten mit entzündlich-rheumatischen Erkrankungen ist mit schwereren COVID-19-Verläufen assoziiert. Der Einsatz von Glukokortikoiden (mehr als 5 mg Prednisolon/Tag) kann einen schwereren Verlauf von COVID-19 begünstigen. Glukokortikoide von > 10 mg über einen längeren Zeitraum müssen angesichts zahlreicher steroidsparender Alternativen sehr gut begründet sein.*

COVID-19 und Immunmodulation Bereits frühe Fallberichte deuteten auf einen negativen Einfluss von Rituximab auf den Verlauf von COVID-19 hin. Mittlerweile konnten in mehreren Arbeiten höhere Raten von Hospitalisierungen und COVID-19-assoziiertem Tod nachgewiesen werden. Ob ein vergleichbarer Effekt auch unter der Therapie mit Januskinase-Inhibitoren bei Patienten mit rheumatoider Arthritis besteht, wird derzeit untersucht.

COVID-19-Impfungen Alle in Deutschland zur Verfügung stehenden Impfstoffe gegen COVID-19 weisen bisher ein sehr gutes Sicherheitsprofil sowie kein relevant erhöhtes Risiko für Krankheitsschübe auf. Es wird keine generelle Pausierung oder Reduktion der Immunmodulation zum Erzielen einer besseren Impfantwort empfohlen. Eine Ausnahme stellt die Therapie mit Rituximab dar.
Stationsäquivalente psychiatrische Behandlung für Patienten mit schweren Zwangserkrankungen in Zeiten von COVID-19 – ein Fallbericht
Authors: Jahn Ina , Meixensberger Carla , Herzog Thomas , Stengler Katarina
Published: November 2021

Die stationsäquivalente Behandlung (StäB) stellt in Deutschland eine aufsuchende, intensive Behandlungsform dar und bietet Patienten mit insbesondere schweren und/oder langjährig chronifizierten Krankheitsverläufen die Möglichkeit, eine leitlinienorientierte Behandlung in Anspruch zu nehmen.

Mit der vorliegenden Fallbeschreibung soll aufgezeigt werden, inwieweit diese Form der gemeindenahen Versorgung – mit psychiatrischer als auch psychotherapeutischer Behandlung im vertrauten häuslichen Kontext – bei Patienten mit schweren Zwangserkrankungen nicht nur in Zeiten der COVID-19-Pandemie als Behandlungsoption mit in Betracht gezogen werden sollte.
Klinischer Nutzen von Tocilizumab und anderen immunmodulatorischen Substanzen bei COVID-19
Authors: Hornuss Daniel , Giesen Roland , Biever Paul , Kern Winfried V.
Published: November 2021

Was ist neu?

Immunologischer Verlauf der COVID-19-Erkrankung Der pathogenetische Verlauf der COVID-19-Erkrankung lässt sich in eine replikative und eine hyperinflammatorische Phase unterteilen. Da bei schweren Verläufen die Hyperinflammation von zentraler Bedeutung ist, nehmen Immunmodulatoren aktuell eine immer größere Rolle in der Behandlung von COVID-19 ein. So gehört Dexamethason mittlerweile zur empfohlenen Therapie bei drohendem schwerem Verlauf. Weitere Immunmodulatoren wie Tocilizumab und JAK-Inhibitoren erscheinen ebenfalls vielversprechend in der Behandlung von COVID-19.

Wirkungsweise von Tocilizumab und Baricitinib Tocilizumab greift als IL-6-Rezeptor-Antagonist in zentrale Schlüsselpositionen der proinflammatorischen Signalkaskade ein und wird seit einigen Jahren erfolgreich bei rheumatologischen Krankheitsbildern eingesetzt. Baricitinib ist ein JAK-1/2-Inhibitor und wird gegenwärtig zur Behandlung der rheumatoiden Arthritis eingesetzt. Neben der immunmodulatorischen Wirkung durch Inhibition der Janus-Kinasen im Bereich der Inflammations-Kaskade werden auch direkte antivirale Effekte diskutiert.

Bisherige Studienlage zu direkten Immunmodulatoren bei COVID-19 Mehrere Studien zu Tocilizumab zeigten einen potenziellen positiven Effekt bei schwerer COVID-19-Erkrankung. Daten einer kürzlich veröffentlichten Meta-Analyse über 9 randomisierte kontrollierte Studien konnten kumulativ eine Mortalitätsreduktion durch Tocilizumab nachweisen. Der Einsatz im Rahmen der intensivmedizinischen Behandlung bei schweren Verläufen von COVID-19 wird daher empfohlen. Die Behandlung mit JAK-Inhibitoren scheint bei Patienten mit leichter COVID-19 Erkrankung ebenfalls einen positiven Effekt zu haben. Jedoch ist die Datenlage zu JAK-Inhibitoren und anderen Immunmodulatoren wie Anakinra im Vergleich zu Tocilizumab gegenwärtig noch uneinheitlich und bedarf weiterer Studien. Nach Therapie mit JAK-Inhibitoren wird die Gabe von Tocilizumab bei klinischer Verschlechterung aufgrund der fehlenden Datenlage derzeit nicht empfohlen.
Thorakolumbaler Rückenschmerz als führendes Symptom einer ausgeprägten COVID-19-Pneumonie
Authors: Jaeger Julia , Hammer Jörg , Ehrengut Constantin , Frille Armin , Krasselt Marco
Published: November 2021

Anamnese Ein 49-jähriger Mann stellte sich in der chirurgischen Notfallsprechstunde mit seit neun Tagen progredienten, thorakolumbalen Rückenschmerzen vor. Symptome eines respiratorischen Infektes zeigte er nicht, insbesondere lagen weder Fieber noch Husten vor.

Untersuchungen Bei der Untersuchung fiel im Rahmen der Entkleidung eine Dyspnoe auf, die sich bei genauerem Nachfragen etwa im selben Zeitraum progredient zeigte, den Patienten subjektiv aber nicht sehr beeinträchtigte. Zudem bestand ein deutlicher Gewichtsverlust. Ein daraufhin ambulant erfolgtes Röntgen des Thorax zeigte bilaterale, ubiquitär verteilte, feinfleckig konfluierende Verschattungen. Die im Anschluss durchgeführte PCR des Nasopharynxabstriches war positiv für SARS-CoV-2.

Therapie und Verlauf Bei progredienter Dyspnoe erfolgte noch am selben Tag eine stationäre Einweisung. Hier wurden im Zuge einer zunehmenden hypoxämischen, respiratorischen Insuffizienz sowie kompromittierter Atemmechanik mit drohender muskulärer Erschöpfung die intermittierende nichtinvasive Beatmung sowie eine nasale High-Flow-Therapie notwendig. Probatorisch erfolgte eine virostatische Therapie mit Remdesivir. Zudem wurde aufgrund des Verdachts auf eine bakterielle Superinfektion eine antibiotische Therapie notwendig. Nach 13 Tagen stationärer Behandlung konnte der Patient entlassen werden. Die Rückenschmerzen sistierten im Verlaufe der stationären Behandlung spontan und ohne spezifische Therapie.

Schlussfolgerungen Rückenschmerzen können ein Symptom von COVID-19 sein, im vorliegenden Kasus waren sie sogar der einzige Grund für die ärztliche Vorstellung. Auch wenn Rückenschmerzen im ärztlichen Alltag sehr häufig vorkommen, sollten auch seltene bzw. ungewöhnliche Differenzialdiagnosen bedacht werden.
AMNOG Arbitral Awards: Analysis of the Decisions of the Arbitration Board Ten Years after AMNOG Implementation
Authors: Dorff Fabian , Matusiewicz David , Thielscher Christian
Published: November 2021

Aim The analysis investigates the arbitral awards of the last ten years with regards to the characteristics of pharmaceuticals, contractual details and decisions of the arbitration board.

Method Arbitral awards until end of 2020 were considered for the analysis. Data were gathered from the arbitral awards, the corresponding G-BA resolutions and the Lauer-Taxe.

Results Nearly 50 % of the arbitral awards were based on an additional benefit. Besides the reimbursement price the duration of the contract, sales volume and redemption of the manufacturer’s discount were most commonly set by the arbitration board. Rebates set by the arbitration board seem to be higher than overall AMNOG rebates and appear to vary depending on the extent of the additional benefit.

Conclusion While the arbitral awards show a strong variability and individuality a few patterns can be identified.
Concise Synthesis of the Terpene Core Structure of Suaveolindole through a Time-Economic Route
Authors: Tanimoto Hiroki , Tojo Kazuki , Morimoto Tsumoru , Kakiuchi Kiyomi
Published: November 2021

The terpene core structure of suaveolindoles was synthesized through a concise route in a time-economical manner. A scalable synthetic route from pulegone delivered the desired α,β,γ,δ-unsaturated ester in a brief period. By way of Eschenmoser–Claisen rearrangement, carbon side-chain moiety at the crowded double-allylic position was introduced stereoselectively.
A Rare Occurrence of Scalp Metastasis in Hepatocellular Carcinoma: Case Report
Authors: Chaudry Samreen Javed , Ranjha Fajar Rafi , Butt Sumera , Nawaz Samaha
Published: November 2021

Hepatocellular carcinoma (HCC) is the most prevalent primary liver malignancy and the fifth most common cancer worldwide. Extrahepatic spread in this type of cancer is most commonly seen in the lungs and lymph nodes and less commonly in the skeletal system. Skull metastases are exceedingly rare, with an incidence of 0.5 to 1.6% reported to date. We report a similar case of a middle-aged Asian male patient with parietal scalp swelling that was initially diagnosed as meningioma. Surgical resection was performed at a local facility. The abdominal computed tomography scan did not reveal any primary or metastatic lesion. After much deliberation, multiparametric magnetic resonance imaging was requested that showed multiple lesions in the liver. Metastatic scalp lesion should be considered a differential diagnosis in HCC regardless of liver symptoms.
Selinexor—A Drug Review
Authors: Jayamohanan Hridya , Venniyoor Vaibhav , Pavithran Keechilat
Published: November 2021

Selinexor developed by Karyopharm Therapeutics is the first orally available small-molecule inhibitor of exportin-1 (XPO1). XPO-1 is a protein transporter responsible for the export of macromolecules such as tumor suppressor proteins and oncoprotein mRNAs from the nucleus to the cytoplasm; its inhibition results in blocking of multiple oncogenic pathways. Overexpression of XPO1 is seen in multiple myeloma and various other malignancies and is a poor prognostic marker. Pivotal positive trials have resulted in the approval of selinexor for use in refractory or relapsed diffuse large B cell lymphoma and multiple myeloma. In this review, we briefly cover the drug development, mechanism of action, indications, and toxicities of the drug, and the major pivotal trials.
One-Pot, Catalyst-Free Synthesis of Nitriles from Aldehydes Using Aminating Reagent MsONH3OTf
Authors: Gatera Tharcisse , Zhuang Daijiao , Yan Rulong
Published: November 2021

An eco-friendly protocol to synthesize nitriles from their corresponding aromatic and aliphatic aldehydes in excellent yields has been developed. This is a catalyst-free protocol which employs an aminating reagent (MsONH3OTf) under mild conditions. The hydroxylamine triflic acid salts (MsONH3OTf) acted as the N source for this protocol. Our protocol proved to be easy to perform and presented good functional group tolerance.
Condylar Dislocation for Intracranial Fossa: a Review of the Last 10 Years
Authors: Rodrigues Cristóvão Marcondes de Castro , Nascimento Jessika Mata do
Published: November 2021

O deslocamento do côndilo mandibular para dentro da fossa craniana é um evento pouco comum; quando ocorre, existe a necessidade de intervenção cirúrgica imediata e multidisciplinar. Devido ao seu advento raro, ainda não existe uma dinâmica consolidada de atendimento, visto que tal condição ainda não se mostra descrita de forma sedimentada nos bancos de dados literárias. No presente artigo fizemos uma revisão de literatura de luxação condilar para fossa intracraniana descritas nos últimos 10 anos nas bases de busca PubMed e Lilacs.
Buckling of the Ligamentum Flavum as a Rare Complication of Anterior Cervical Corpectomy and Fusion: A Case Report
Authors: Jbarah Omar F. , Jarrar Sultan , Abushukair Hassan M. , Syaj Sebawe S.
Published: November 2021

Introduction and Importance Neurological deterioration due to buckling of the ligamentum flavum (LF) is an uncommon complication after anterior cervical corpectomy or discectomy with fusion.

Case Presentation In this report, we present the case of a 66-year-old male who underwent anterior cervical partial corpectomy of C5 and discectomy of prolapsed C5-C6 with fusion. Postsurgery, the patient displayed signs of neurological deterioration. Upon immediate cervical magnetic resonance imaging (MRI), posterior canal stenosis and severe compression with cord signal due to LF buckling were detected. A posterior laminectomy procedure and canal decompression at the C5-C6 level with bone fusion were performed.

Clinical Discussion Patient presented with walking difficulty, then walking disability, followed by bilateral upper and lower limb paresthesia with burning sensation. Examination showed ⅘ muscle strength in both handgrips. Further investigation showed brisk deep tendon reflexes, positive Hoffman sign unilaterally, equivocal Babinski sign, and progressive quadriparesis. Magnetic resonance imaging showed mild and diffuse building of some cervical discs, with spinal cord progression. We performed an anterior cervical corpectomy and fusion (ACCF) and anterior cervical discectomy and fusion (ACDF); a titanium mesh with plates and screws was used for fusion, with removal of a calcified and herniated subligamentous disc. Postoperatively, upper and lower limb strength deteriorated; immediate cervical and thoracic MRI showed LF buckling, which caused canal stenosis and severe compression. Urgent posterior laminectomy and canal decompression with bone fusion was scheduled on the same day. The patient underwent physiotherapy and regained upper and lower limb strength and his ability to walk.

Conclusion This indicates the possibility of neurological deterioration as a result of LF buckling, which may be a result of LF thickening accompanied by hyperextension in the cervical region. In this regard, immediate imaging following signs of neurological complications after anterior cervical corpectomy or discectomy warrants early detection, which results in a better prognosis.
Management and Outcome of a Neurologically Intact Infant with Pierre Robin Sequence and Dandy-Walker Variant Diagnosed with Large Hemispheric Brain Abscess – Case Report
Authors: Jamous Mohammad A. , Alomari Amer A. , Jbarah Omar F.
Published: November 2021

Pierre Robin sequence (PRS) is a condition consisting of three essential components: micrognathia or retrognathia, cleft palate, and glossoptosis. It can be part of multiple congenital anomalies. We present the case and outcome of a 3-month-old clinically stable patient who has PRS with Dandy-Walker variant – which is a rare presentation in the literature – with a large right hemispheric brain abscess, treated with multiple minimally-invasive surgical drainage procedures with adjuvant antibiotics.
A Complicated Course of Brain Tumor Resection in a Patient with a Left Ventricular Assist Device
Authors: Patel Nimesh , Fayed Mohamed , Ahmed Ahmed , Rao Akshatha G. , Williams Derrick , Sanders Joseph A.
Published: November 2021

Left ventricular assist devices (LVAD) are mechanical pumps that have become a standard treatment for end-stage heart failure. As patients with LVAD are living longer, the number of noncardiac surgeries performed in these patients is rising. However, these patients present a unique set of risk factors, some of which include acquired coagulopathies, anticoagulation status, and hemodynamic instability. Thus, performing noncardiac surgeries in patients with an LVAD requires a precise and complex surgical strategy with optimal communication among the surgical team. Therefore, knowledge of best perioperative approaches for patients with LVAD is urgently needed. Here, we present a detailed perioperative surgical approach in the case of a brain tumor resection for a 62-year-old patient with an LVAD whose course was complicated with a brain hematoma. Critical details include key aspects of monitoring patient hemodynamic stability and handling of anesthesia, patient positioning, and antiplatelet and anticoagulation drug therapy. This case highlights the importance for anesthesiologists to be well informed about perioperative LVAD management, as well as common complications that they may encounter.
The First Case of Multisystem Inflammatory Syndrome in Children Successfully Treated with Combined Therapies Including Extracorporeal Membrane Oxygenation and Plasmapheresis
Authors: Konca Capan , Anil Ayse B. , Isik Onur , Kulluoglu Emine P. , Luleyap Doga , Dogruoz Aysenur O. , Akyuz Muhammed , Mercan Ilker , Bakiler Ali R. , Durak Fatih , Demir Belde K. , Oncel Eda
Published: November 2021

Multisystem inflammatory syndrome in children (MIS-C) is a severe disease that can lead to death. There is no definitive treatment for MIS-C yet. It has been reported that intravenous immunoglobulin, intravenous methylprednisolone, fluid supplements, antibiotics, inotropics, extracorporeal membrane oxygenation (ECMO), plasmapheresis, biological therapy, and anticoagulation therapy can be used for treatment. In this article, we presented an 8-year-old girl child patient who survived due to timely administered ECMO and combined therapies including plasmapheresis without any sequela despite her life-threatening condition due to MIS-C.
The Physical Abilities and Mobility Scale as a New Measure of Functional Progress in the PICU
Authors: Weatherly Allison J. , Wang Li , Lindsell Christopher J. , Martin Elizabeth N. , Hedden Katherine , Heider Camille , Pearson Jennifer E. , Betters Kristina A.
Published: November 2021

Assessing functional motor changes and their relationship to discharge needs in the pediatric intensive care unit (PICU) population is difficult given challenges quantifying small functional gains with current tools. Therefore, we compared the Physical Abilities and Mobility Scale (PAMS) to the Functional Status Scale (FSS) in PICU patients to assess correlation and differences and association with discharge needs. This study was a retrospective chart review of all patients (2–18 years old) admitted to the PICU and cardiac PICU for over 9 months who received early mobility services, including PAMS and FSS scoring. Correlation between scales, relationship of scores to disposition, and logistic regression model of changes in PAMS in relation to disposition were determined. Data were obtained for 122 patients. PAMS and FSS scores strongly negatively correlated (Spearman's ρ =  − 0.85), but with a nonlinear relationship, as the PAMS more readily differentiated among patients with higher functional status. The median FSS at discharge was 12.5 for those recommended an inpatient rehabilitation facility (IRF) (n = 24), versus 9 for those recommended discharge home (n = 83, Δ 3.5, 95% confidence interval [CI]: 1–6, around one-tenth of FSS scale). The corresponding median PAMS were 42 and 66 (Δ 24, 95% CI: 10–30, one-fourth of PAMS scale). Although not statistically significant, a logistic regression model was consistent with patients who showed modest change in PAMS across hospitalization but persistent deficits (PAMS < 60) were more likely to be recommended an IRF. The PAMS correlates to the FSS, but appears more sensitive to small functional changes, especially in higher functioning patients. It may be useful in prognosticating discharge needs.
Clinical Applications of Additive Manufacturing Models in Neurosurgery: a Systematic Review
Authors: Leal André Giacomelli , Ramina Ricardo , Aguiar Paulo Henrique Pires de , Fernandes Beatriz Luci , Souza Mauren Abreu de , Nohama Percy
Published: November 2021

Introduction Three-dimensional (3D) printing technologies provide a practical and anatomical way to reproduce precise tailored-made models of the patients and of the diseases. Those models can allow surgical planning, besides training and surgical simulation in the treatment of neurosurgical diseases.

Objective The aim of the present article is to review the scenario of the development of different types of available 3D printing technologies, the processes involved in the creation of biomodels, and the application of those advances in the neurosurgical field.

Methods We searched for papers that addressed the clinical application of 3D printing in neurosurgery on the PubMed, Ebsco, Web of Science, Scopus, and Science Direct databases. All papers related to the use of any additive manufacturing technique were included in the present study.

Results Studies involving 3D printing in neurosurgery are concentrated on three main areas: (1) creation of anatomical tailored-made models for planning and training; (2) development of devices and materials for the treatment of neurosurgical diseases, and (3) biological implants for tissues engineering. Biomodels are extremely useful in several branches of neurosurgery, and their use in spinal, cerebrovascular, endovascular, neuro-oncological, neuropediatric, and functional surgeries can be highlighted.

Conclusions Three-dimensional printing technologies are an exclusive way for direct replication of specific pathologies of the patient. It can identify the anatomical variation and provide a way for rapid construction of training models, allowing the medical resident and the experienced neurosurgeon to practice the surgical steps before the operation.
Effects of tubular daylight guidance systems on the daylighting performance and energy savings in office buildings under different climate zones
Authors: Li Hanlin , Wu Dan , Zhou Jinzhi
Published: November 2021

Over the recent years, the energy use of artificial lighting has been gradually increasing in office buildings. Tubular daylight guidance system (TDGS) is an innovative daylighting technology, which is used to transport daylight into the core of a building. In this study, the effects of the tube radius of TDGSs, window-to-wall ratio (WWR), and window orientation on the indoor illuminance, artificial lighting electricity consumption, and heating/cooling loads of an office room are investigated for the five climate zones in China by both numerical simulations and experiments. The model is developed using Radiance and Ecotect, and its feasibility is validated by comparing the simulated indoor illuminance distributions with the field measurements. The results demonstrate that the increase in the tube radius and the decrease in the WWR and the utilization of a north-facing window can improve the daylighting performance and energy savings of the TDGSs. In general, the TDGSs can reduce the artificial lighting electricity consumption and heating load while increasing the cooling load of the office room. Due to the implementation of TDGSs, the maximum potential energy savings (on the lighting energy use and the heating/cooling energy use) are 27.6% in Kunming (moderate climate), 13.5% in Chengdu (hot summer and cold winter), 10.6% in Guangzhou (hot summer and warm winter), 10.3% in Beijing (cold), and 5.0% in Harbin (severe cold).
Design of a solar concentrator system for a green community—A dual-objective stochastic optimization model
Authors: Wang Kung-Jeng , Yang Shu-Hua , Dung Nguyen Dang Tien
Published: November 2021

The solar concentrator consisting of prisms is a promising solution for clean energy collection. Concentrator design and allocation play a key role for efficient solar energy collection. This study investigates a green community with many houses. A solar concentrator is installed on the roof of each house to receive sunlight. Several types of solar concentrators are delivered by a manufacturer who fabricates the solar concentrators to maximize its own profit while maintaining a level of collected energy that is acceptable to the community. A novel dual-objective model is proposed. Given uncertain energy demand, a trade-off between maximizing the manufacturer's profit and the community's energy collected is achieved when designing and allocating such a solar concentrator system. A revised genetic algorithm with chance constrained technique is proposed to seek the best resource portfolio and allocation plan for the solar concentrator system and the corresponding optimal layouts for individual solar concentrators. Pareto frontier analysis for the dual objectives is further given to highlight the proposed compromised solution. Experiments indicate that the proposed method significantly improves both energy collection efficiency and profits earned. The compromised solution is mutually accepted by the two parties. The impact of the variation of demand to profit is examined so that demand information can be quantified. This study contributes simultaneously to resolving the optimal resource portfolio and allocation of solar concentrators at a system level and to optimizing solar concentrator layout at the individual concentrator level.
Review of adaptive decomposition-based data preprocessing for renewable generation rich power system applications
Authors: Das Satyabrata , Prusty B Rajanarayan , Bingi Kishore
Published: November 2021

Time series decomposition is extensively used recently for time series forecasting. The obtained set of relevant monocomponents using an adaptive decomposition method are potential candidates for predictions using point and probabilistic forecasting frameworks. Time series decomposition has been widely applied to the volatile time series of input variables of various power system analyses. This paper comprehensively represents computational steps for different adaptive decomposition methods and enlists open issues for each family of methods. The attributes of the decomposition method are reviewed in detail. Furthermore, the metrics for their characterization are formulated, and the significances are highlighted. The applications of time series decomposition to various data preprocessing activities are discussed. Finally, the solutions adopted in the literature in selecting appropriate parameter(s)/function(s) associated with decomposition methods, suppressing undesirable effects due to a method, and solutions to reduce the computational complexity in decomposition are summarized. This comprehensive review is expected to provide a clearer picture of existing decomposition methods and research scopes for a novice reader in time series decomposition.
Forecasting nonadiabatic dynamics using hybrid convolutional neural network/long short-term memory network
Authors: Wu Daxin , Hu Zhubin , Li Jiebo , Sun Xiang
Published: November 2021

Modeling nonadiabatic dynamics in complex molecular or condensed-phase systems has been challenging, especially for the long-time dynamics. In this work, we propose a time series machine learning scheme based on the hybrid convolutional neural network/long short-term memory (CNN-LSTM) framework for predicting the long-time quantum behavior, given only the short-time dynamics. This scheme takes advantage of both the powerful local feature extraction ability of CNN and the long-term global sequential pattern recognition ability of LSTM. With feature fusion of individually trained CNN-LSTM models for the quantum population and coherence dynamics, the proposed scheme is shown to have high accuracy and robustness in predicting the linearized semiclassical and symmetrical quasiclassical mapping dynamics as well as the mixed quantum-classical Liouville dynamics of various spin-boson models with learning time up to 0.3 ps. Furthermore, if the hybrid network has learned the dynamics of a system, this knowledge is transferable that could significantly enhance the accuracy in predicting the dynamics of a similar system. The hybrid CNN-LSTM network is thus believed to have high predictive power in forecasting the nonadiabatic dynamics in realistic charge and energy transfer processes in photoinduced energy conversion.
Molecular beam scattering experiments on noble gas–propylene oxide: Total integral cross sections and potential energy surfaces of He– and Ne–C3H6O
Authors: Palazzetti Federico , Cappelletti David , Coletti Cecilia , Falcinelli Stefano , Pirani Fernando
Published: November 2021

The interactions of He and Ne with propylene oxide have been investigated with the molecular beam technique by measuring the total (elastic + inelastic) integral cross section as a function of collision velocity. Starting from the analysis of these experimental data, potential energy surfaces, formulated as a function of the separation distance and orientation of propylene oxide with respect to the interacting partners, have been built: The average depth of potential wells (located at intermediate separation distances) has been characterized by analyzing the observed “glory” quantum effects, and the strength of long-range attractions has been obtained from the magnitude and the velocity dependence of the smooth component of measured cross sections. The surfaces, tested and improved against new ab initio calculations of minima interaction energies at the complete basis set level of theory, are defined in the full space of relative configurations. This represents a crucial condition to provide force fields useful to carry out, in general, important molecular property simulations and to evaluate, in the present case, the spectroscopic features and the dynamical selectivity of weakly bound complexes formed by propylene oxide, a prototype chiral species, during collisions in interstellar clouds and winds, in the space and planetary atmospheres. The adopted formulation of the interaction can be readily extended to similar systems, involving heavier noble gases or diatomic molecules (H2, O2, and N2) as well as to propylene oxide dimers.
Single-particle studies on plasmon enhanced photoluminescence of monolayer MoS2 by gold nanoparticles of different shapes
Authors: Garai Monalisa , Zhu Ziyu , Shi Jia , Li Shisheng , Xu Qing-Hua
Published: November 2021

Plasmon–exciton interactions between noble metal nanostructures and two-dimensional transition metal dichalcogenides have drawn great interest due to their significantly enhanced optical properties. Plasmon resonance of noble metal nanoparticles and plasmon–exciton interactions are strongly dependent on the particle morphology. Single-particle spectroscopic studies can overcome the ensemble average effects of sample inhomogeneity to unambiguously reveal the effects of the particle morphology. In this work, plasmon modulated emission of MoS2 in various plasmon–MoS2 hybrid structures has been studied on the single-particle level. Gold (Au) nanoantennas of different shapes including nanosphere, nanorod, nanocube, and nanotriangle with similar overall dimensions, which have different sharp tips and contact areas with MoS2, have been chosen to explore the particle shape effects. Different extent of enhancement in photoluminescence (PL) of MoS2 was observed for Au nanoantennas of different shapes. It was found that Au nanotriangles gave the highest enhancement factor, while Au nanospheres gave the lowest enhancement factor. The numerical simulation results show that the dominant contribution arises from an increased quantum yield, while enhanced excitation efficiency just plays a minor role. The quantum yield enhancement is affected by both the sharp tips and contact mode of the Au nanoantenna with MoS2. Polarization of the MoS2 emission was also found to be modulated by the plasmon mode of the Au nanoantenna. These single-particle spectroscopic studies allow us to unambiguously reveal the effects of the particle morphology on plasmon enhanced PL in these nanohybrids to provide a better understanding of the plasmon–exciton interactions.
Probing ultrafast hot charge carrier migration in MoS2 embedded CdS nanorods
Authors: Goswami Tanmay , Bhatt Himanshu , Yadav Dharmendra Kumar , Saha Ramchandra , Babu K. Justice , Ghosh Hirendra N.
Published: November 2021

Efficient utilization of hot charge carriers is of utmost benefit for a semiconductor-based optoelectronic device. Herein, a one-dimensional (1D)/two-dimensional (2D) heterojunction was fabricated in the form of CdS/MoS2 nanorod/nanosheet composite and migration of hot charge carriers was being investigated with the help of transient absorption (TA) spectroscopy. The band alignment was such that both the electrons and holes in the CdS region tend to migrate into the MoS2 region following photoexcitation. The composite system is composed of optical signatures of both CdS and MoS2, with the dominance of CdS nanorods. In addition, the TA signal of MoS2 is substantially enhanced in the heterosystem at the cost of the diminished CdS signal, confirming the migration of charge carrier population from CdS to MoS2. This migration phenomenon was dominated by the hot carrier transfer. The hot carriers in the high energy states of CdS are preferentially migrated into the MoS2 states rather than being cooled to the band edge. The hot carrier transfer time for a 400 nm pump excitation was calculated to be 0.21 ps. This is much faster than the band edge electron transfer process, occurring at 2.0 ps time scale. We found that these migration processes are very much dependent on the applied pump photon energy. Higher energy pump photons are more efficient in the hot carrier transfer process and place these hot carriers in the higher energy states of MoS2, further extending charge carrier separation. This detailed spectroscopic investigation would help in the fabrication of better 1D/2D heterojunctions and advance the optoelectronic field.
Predicting atomic-level reaction mechanisms for SN2 reactions via machine learning
Authors: Meng Fanbin , Li Yan , Wang Dunyou
Published: November 2021

Identifying atomic-level reaction mechanisms is an essential step in chemistry. In this study, we develop a joint-voting model based on three parallel machine-learning algorithms to predict atomic-level and dynamical mechanisms trained with 1700 trajectories. Three predictive experiments are carried out with the training trajectories divided into ten, seven, and five classes. The results indicate that, as the number of trajectories in each class increases from the ten- to five-class model, the five-class model converges the fastest and the prediction success rate increases. The number of trajectories in each experiment to get the predictive models converged is 100, 100, and 70, respectively. The prediction accuracy increases from 88.3% for the ten-class experiment, to 91.0% for the seven-class, and to 92.0% for the five-class. Our study demonstrates that machine learning can also be used to predict elementary dynamical processes of structural evolution along time, that is, atomic-level reaction mechanisms.
HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations
Authors: Ziogos Orestis George , Kubas Adam , Futera Zdenek , Xie Weiwei , Elstner Marcus , Blumberger Jochen
Published: November 2021

A new molecular dataset called HAB79 is introduced to provide ab initio reference values for electronic couplings (transfer integrals) and to benchmark density functional theory (DFT) and density functional tight-binding (DFTB) calculations. The HAB79 dataset is composed of 79 planar heterocyclic polyaromatic hydrocarbon molecules frequently encountered in organic (opto)electronics, arranged to 921 structurally diverse dimer configurations. We show that CASSCF/NEVPT2 with a minimal active space provides a robust reference method that can be applied to the relatively large molecules of the dataset. Electronic couplings are largest for cofacial dimers, in particular, sulfur-containing polyaromatic hydrocarbons, with values in excess of 0.5 eV, followed by parallel displaced cofacial dimers. V-shaped dimer motifs, often encountered in the herringbone layers of organic crystals, exhibit medium-sized couplings, whereas T-shaped dimers have the lowest couplings. DFT values obtained from the projector operator-based diabatization (POD) method are initially benchmarked against the smaller databases HAB11 (HAB7-) and found to systematically improve when climbing Jacob’s ladder, giving mean relative unsigned errors (MRUEs) of 27.7% (26.3%) for the generalized gradient approximation (GGA) functional BLYP, 20.7% (15.8%) for hybrid functional B3LYP, and 5.2% (7.5%) for the long-range corrected hybrid functional omega-B97X. Cost-effective POD in combination with a GGA functional and very efficient DFTB calculations on the dimers of the HAB79 database give a good linear correlation with the CASSCF/NEVPT2 reference data, which, after scaling with a multiplicative constant, gives reasonably small MRUEs of 17.9% and 40.1%, respectively, bearing in mind that couplings in HAB79 vary over 4 orders of magnitude. The ab initio reference data reported here are expected to be useful for benchmarking other DFT or semi-empirical approaches for electronic coupling calculations.
Cumulants as the variables of density cumulant theory: A path to Hermitian triples
Authors: Misiewicz Jonathon P. , Turney Justin M. , Schaefer Henry F.
Published: November 2021

We study the combination of orbital-optimized density cumulant theory and a new parameterization of reduced density matrices in which the variables are the particle–hole cumulant elements. We call this combination OλDCT. We find that this new Ansatz solves problems identified in the previous unitary coupled cluster Ansatz for density cumulant theory: the theory is now free of near-zero denominators between occupied and virtual blocks, can correctly describe the dissociation of H2, and is rigorously size-extensive. In addition, the new Ansatz has fewer terms than the previous unitary Ansatz, and the optimal orbitals delivered by the exact theory are the natural orbitals. Numerical studies on systems amenable to full configuration interaction show that the amplitudes from the previous ODC-12 method approximate the exact amplitudes predicted by this Ansatz. Studies on equilibrium properties of diatomic molecules show that even with the new Ansatz, it is necessary to include triples to improve the accuracy of the method compared to orbital-optimized linearized coupled cluster doubles. With a simple iterative triples correction, OλDCT outperforms other orbital-optimized methods truncated at comparable levels in the amplitudes, as well as coupled cluster single and doubles with perturbative triples [CCSD(T)]. By adding four more terms to the cumulant parameterization, OλDCT outperforms CCSDT while having the same O(V5O3) scaling.
A BGO set-up for the direct measurement of the D(p,γ)3He fusion cross section at LUNA
Authors: Mossa Viviana
Published: November 2021

The Big Bang Nucleosynthesis (BBN) describes the production of light nuclides occurred during the first minutes of cosmic time. It started with the accumulation of deuterium, whose primordial abundance is sensitive to the universal baryon density and to the amount of relativistic particles. Currently the main source of uncertainty to an accurate theoretical deuterium abundance evaluation is due to the poor knowledge of the D(p, γ)3He cross section at BBN energies.

The present work wants to describe one of the two experimental approaches proposed by the LUNA collaboration, whose goal is to measure with unprecedented precision, the reaction cross section in the energy range 30 < Ecm[keV] < 300.
Mappings by the complex exponential function
Authors: Triana J G , Fuentes J A , Ramirez P
Published: November 2021

In mathematics, engineering, and physics, some problems can be solved through complex functions; in many cases, with geometric inconveniences or complicated domains. Conformal mappings are essential to transform a complicated analytic domain onto a simple domain. Physical approaches to visualization of complex functions can be used to represent conformal mappings, here we use the transformation of regions of the complex plane. This paper provides a graphical overview of the transformation of a set of regions by the complex exponential function.
Scientific skills in the physics learning process. A pilot study in secondary education
Authors: Hernández-Suárez C A , Gamboa-Suárez A A , Avendaño-Castro W R
Published: November 2021

The objective of this article is to identify the competencies of students studying the subject of natural sciences - physics at the high school level, in accordance with the curricular guidelines of the Ministerio de Educación Nacional de Colombia. Methodologically, it was based on a quantitative design, using a student perception survey. The results show, from the students’ point of view, that the teachers have knowledge of their discipline, but the follow-up and improvement of their pedagogical practice at the curricular, didactic and evaluation levels is questioned. It is questioned that the processes related to research and the scientific method are not linked to their classes, so that the students’ level of competences is not the ideal one according to what is established from the curricular orientations at a national level.
Effect of the pitch particle size on the thermal property of carbon foams
Authors: Xia Jing , Liu Junqing , Liang Wenbin
Published: November 2021

In this research, the influence of the pitch particle size on the thermal diffusivity of the carbon foam was studied. The results indicate that the thermal diffusivity increases from 12.3 mm2/s to 23.09 mm2/s with an increasing pitch particle size from <500 mesh to 100-200 mesh, because the carbon foam produced by using larger pitch particle has highly aligned graphitic structures with less cracks and folded texture and its degree of graphitization is higher.
Institutional Systems In Planning And Strategy For Oyster Mushroom Business Development
Authors: Jafar Rayhana , Nuddin A , Khaerunnisa  , Machmuddin Nurlela
Published: November 2021

The development of oyster mushroom business has not been able to meet the increasing consumer demand both in terms of quality and quantity. This happened because of limited funds and application of technology, limited skilled workers, and institutional optimization. Therefore the study aims to analyze: factors that affect the weak coordination function, and Strategic programs in the development of oyster mushroom business. The study was conducted in Enrekang District, South Sulawesi Province. Data were collected by descriptive research through an expert system approach using survey methods. Interpretative Structural Modeling (ISM) used to analyze a strategic program in the development of the oyster mushroom business. The results showed that, Factors causing the weak coordination function in the planning and development of oyster mushroom businesses are Weak formation/training, Institutional disengagement from the start, and Weak Organizing; More strategic programs in planning and developing the oyster mushroom business are Provision/access to capital resources, Oyster Mushroom Price Guarantee, Increasing farmers’ knowledge and skills, and Effectiveness of counseling in the field.
The Effect Of Covid-19 On Demand And Supply Of Animal Food Of Livestock
Authors: Laela Rahmah Ulfa Indah , Yuliandri Lili Adam
Published: November 2021

The Coronavirus that is present in society in 2020 is attracting attention. The visible impact does not only affect public health but also affects the country’s economy. Even today the world economy is under heavy pressure due to this virus. The topic this time will discuss the global impact of the presence of the coronavirus or its scientific name is referred to as COVID-19. The research method used is descriptive qualitative by describing the phenomena and existing literature. The results of this study indicate that seeing economic developments and influences is not limited to the scope of the economy itself. However, the economy can also be affected by culture and health. This is evidenced by the spread of the Coronavirus which has harmed the world economy.
Racial/Ethnic and Gender Differences in Risk of Injury and Life-Course Drinking Patterns: Data from US National Alcohol Surveys
Authors: Cherpitel Cheryl J , Ye Yu , Kerr William C
Published: November 2021

Aims

To estimate risk of injury associated with frequency of drinking and heavy drinking (5+ drinks on occasion) by gender and race/ethnicity in the US population.

Methods

Data were from a merged sample of two National Alcohol Surveys (telephone and web-based) (2014–2015 and 2019–2020) on 16,639 respondents, and analyzed using Cox proportional hazards models with age as the timescale in a retrospective cohort design. Life-course drinking was determined by age of onset and questions on any drinking and heavy drinking by decade of life. The outcome measure was having had an injury from a serious accident at a certainage.

Results

Frequent heavy drinking (5+ daily, weekly and monthly) was significantly predictive of injury with hazard ratios (HRs) of 2.40, 1.81 and 1.50, respectively, while frequent light drinking (alcohol at least weekly and 5+ yearly or less) was also significant for women (HR = 1.73). For White respondents, 5+ at least weekly was significant for both men (HR = 1.74) and women (HR = 2.42). Among Hispanic respondents, 5+ at least weekly and 5+ monthly were both significant for men (HR = 2.81 and 2.49, respectively) and women (HR = 2.81 and 3.48, respectively). Among Black women, risk was significant for 5+ monthly (HR = 2.90) and for any alcohol ≥ weekly (HR = 2.72), but neither frequency of any drinking or 5+ was significant for Blackmen.

Conclusions

Data suggest a greater risk of injury from a serious accident for frequent heavy drinkers among all White and Hispanic respondents, and Black women, but not for Blackmen.