bluuebunny/crossref_metadata_2025 huggingface dataset:
Usia dan Paritas Tidak Berhubungan dengan Ekspresi Estrogen Reseptor (ER) dan Progesteron Reseptor (PR) pada Kanker Payudara Invasif No Special Type (NST) di RSUD Abdul Wahab Sjahranie Samarinda
Authors: Fauziah Putri Chatamy  , Nurul Hasanah  , Hadi Irawiraman
Published: May 2022

Kanker payudara merupakan kanker yang paling banyak ditemui pada perempuan serta menjadi salah satu penyebab morbiditas dan mortalitas pada perempuan di seluruh dunia. Di Indonesia pada tahun 2020 terdapat kurang lebih 65.000 kasus baru, dengan perkiraan jumlah kasus dalam 5 tahun terakhir sejumlah 200.000 kasus. Status reseptor hormonal Estrogen Receptor (ER) dan Progesterone Receptor (PR) dipakai sebagai standar dalam menentukan prognosis dan prediksi terhadap respon dari suatu modalitas terapi tertentu pada kanker payudara invasif NST melalui pemeriksaan imunohistokimia. Faktor risiko terkait hormon yang mempengaruhi paparan estrogen dan progesteron diduga berkaitan dengan kanker payudara yang mengekspresikan ER/PR positif. Penelitian ini bertujuan untuk mengetahui hubungan usia dan paritas dengan ekspresi ER/PR pada kanker payudara invasif NST. Penelitian ini merupakan studi analitik cross sectional dengan menggunakan data sekunder yang diperoleh dari 82 sampel kanker payudara invasif NST di RSUD Abdul Wahab Sjahranie Samarinda periode 2019-2020 dengan teknik purposive sampling. Analisis hubungan pada semua variabel menghasilkan nilai p>0,05. Hubungan antara usia dan paritas dengan ekspresi ER/PR menghasilkan nilai p secara berurutan 0,344 dan 0,977. Tidak terdapat hubungan yang bermakna antara usia dan paritas dengan ekspresi ER/PR pada kanker payudara invasif NST di RSUD Abdul Wahab Sjahranie Samarinda.
Perbandingan Statin Terhadap Kejadian Efek Samping Terkait Myalgia
Authors: Mahwal Irene , Untari Eka Kartika , Nurmainah Nurmainah
Published: May 2022

Statin adalah golongan hiperlipidemia yang paling umum dilaporkan terkait kejadian myalgia dengan dosis 10-80 mg/hari. Kejadian myalgia yang diinduksi statin menjadi perhatian bagi peneliti, mengingat jumlah pasien hiperkolesterolemia yang menggunakan terapi statin cukup tinggi. Penelitian bertujuan untuk mengetahui golongan statin yang berpotensi menyebebkan kejadian myalgia serta untuk mengetahui tingkat keparahan myalgia akibat penggunaan statin, sehingga dapat meningkatkan kewaspadaan masyarakat dalam mengatasi kejadian efek samping akibat penggunaan statin. Metode penelitian menggunakan desain observasional analitik cross-sectional, dengan instrumen pengumpulan data menggunakan kuesioner FIQR dalam bentuk google form. Hasil penelitian menunjukkan kasus myalgia paling banyak ditemui pada responden yang berusia 36-45 tahun (26,08 %), dan kejadian paling sedikit terjadi pada pasien > 65 tahun (8,69 %). Hasil data distribusi jenis kelamin, perempuan memiliki prevalensi sebesar 56,52 % dan laki-laki sebesar 43,47 %. Golongan statin yang digunakan oleh responden penelitian adalah simvastatin dengan presentase sebesar 58,69 %, sedangkan responden yang menggunakan atorvastatin dengan presentase 41,30 %. Kejadian myalgia yang dialami oleh responden memiliki tingkat keparahan ringan dengan proporsi sebanyak 43 orang, hingga sedang dengan proporsi 3 orang. Kesimpulan dari penelitian ini adalah golongan statin yang berpotensi menyebabkan kejadian myalgia yaitu, simvastatin dan atorvastatin, dengan tingkat keparahan myalgia yaitu ringan hingga sedang.
Laporan Kasus: Terapi Covid-19 pada Pasien dengan Komorbid Hipertensi
Authors: Laily Putri Dina Mahera
Published: May 2022

Corona Virus Desease 2019 (COVID-19), is a disease caused by corona virus. According to the World Health Organization (WHO), COVID-19 is a tragedy in the world of global health. The main clinical manifestations are cough, fever, shortness of breath and in some cases can cause multiple organ failure, septic shock and metabolic acidosis which is difficult to correct. Where people who are elderly and have chronic disease generally have a poor prognosis. Prompt and appropriate therapy is expected to save patients. Until now, scientific evidence regarding the effectiveness and safety of these therapies is still very little. This study aims to evaluate the effectiveness and safety of COVID-19 therapy in COVID-19 patients with comorbid hypertension. The therapy used in this patient was azithromicin, ceftriaxone, levofloxacin and meropenem; Antiviral therapy was given hydroxychloroquine; symptomatic therapy for fever was given paracetamol; hypertension therapy was given amlodipine; Support therapy was given salbutamol and dexamethasone; Additional therapy was given vitamin C 1000 mg / 24 hours, and zinc. There was no worsening effect on the patient after receiving this therapy. Patients get treatment at RSUP Dr. Sardjito then was discharged after treatment without any complaints and with PCR swabs were negative results.

Keywords: Therapy, COVID-19, Comorbid, Hypertensi
Profil Penyakit Periodontal Pada Penderita Diabetes Melitus Berdasarkan Tipe Diabetes Melitus, Jenis Kelamin, dan Usia di RSUD dr. Kanujoso Djatiwibowo Pada Tahun 2016-2020
Authors: Aliyah Aanisah Nida , Listyawati Listyawati , Utami Nuryanni Dihin
Published: May 2022

Penyakit periodontal adalah suatu keadaan peradangan dan degenerasi dari jaringan lunak maupun tulang penyangga gigi. Etiologi utama penyakit periodontal adalah faktor lokal yakni kondisi rongga mulut yang meningkatkan kerentanan seseorang terhadap infeksi periodontal atau yang dapat merusak jaringan periodontal dan dapat diperparah dengan adanya faktor sistemik diantaranya penyakit diabetes melitus. Tujuan penelitian ini adalah untuk mengetahui profil penyakit periodontal yang disertai diabetes melitus berdasarkan jenis penyakit periodontal,  tipe diabetes melitus, jenis kelamin, dan usia di IRJA Publik Poliklinik Gigi dan Mulut RSUD dr. Kanujoso Djatiwibowo pada tahun 2016-2020. Penelitian ini merupakan deskriptif dengan sumber data sekunder berupa rekam medis pasien penyakit periodontal yang disertai diabetes melitus di IRJA Publik Poliklinik Gigi dan Mulut RSUD dr. Kanujoso Djatiwibowo pada tahun 2016-2020. Hasil penelitian didapatkan distribusi frekuensi pasien penyakit periodontal yang disertai diabetes melitus sebanyak 1 kasus. Jenis kelamin yang lebih dominan yakni perempuan sebanyak 3 pasien dan laki-laki sebanyak 1 pasien dengan jenis penyakit periodontal chronic periodontitis dengan DM tipe unspecified diabetes mellitus without complication. Pasien berjenis kelamin laki-laki dengan usia 63 tahun.
The Laboratory of Radiochemistry at Bern University and the Paul Scherrer Institute
Authors: Gäggeler Heinz W. , Krähenbühl Urs
Published: May 2022

Radiochemical research in Switzerland is pursued in a laboratory jointly financed by Bern University and the Paul Scherrer Institute. Presently, four groups – one at Bern University and three at the Paul Scherrer Institute – perform basic research in heavy element chemistry, atmospheric chemistry, paleoatmospheric studies, and geochemistry. While the first topic resembles frontier research in radiochemistry, the latter three activities involve the use of radiotracers in several environmental research fields. Most of the experiments require access to the accelerator systems and the spallation neutron source at the Paul Scherrer Institute. Some recent results of the four groups are summarized. They include the first ever chemical study of hassium (element 108), the application of the positron emitter 13N for atmospheric studies, the reconstruction of the pollution history over Europe and some radioanalytical studies with meteorites.
Sulfur Profiles of the Twentieth Century in Peat Bogs of the Swiss Midlands Measured by ICP-OES and by IC
Authors: Jeker Philipp , Krähenbühl Urs
Published: May 2022

The growth rates of ombrotrophic peat bogs are controlled solely by the atmospheric input of nutrients. Such systems serve as archives for the emission of anthropogenic pollutants close to urban centers. Goal of the present investigation was to unravel the history of the deposition of sulfur during the twentieth century. In two peat bogs of the Swiss Midlands peat cores were collected and dated using the lead isotope 210Pb. After a wet digestion of the sample material in pressure bombs by microwave excitation the resulting solutions were measured for their S concentrations by ICP-OES or by IC.The S concentrations vary between 1–5 g/kg of dry sample mass. The comparison with the estimated total sulfur emissions for Switzerland from the BUWAL shows an excellent correlation with two maximal values around the years 1960 and 1980, respectively. The fact that the same deposited amount of pollutant is determined in the two peat bogs situated 50 km apart indicates that the measured signals are not controlled by local sources.
Conformationally Restricted Oligonucleotide Analogues 'Made in Bern': A Mini Review
Authors: Leumann Christian J.
Published: May 2022

In our search for novel oligonucleotide analogues for use in therapy and DNA-based diagnostics we explored the concept of conformational preorganization as a means to improve duplex stability with complementary DNA and RNA. This research effort has led to a number of novel DNA analogues
and has contributed to a deeper understanding of the interrelation between the structure of nucleosides and the properties of corresponding oligonucleotides. Some of these analogues show interesting biological properties. This article is a short review summarizing the properties of bicyclo-DNA
and tricyclo-DNA, developed in our laboratory.
New High-Throughput Screening Assays for Biocatalysis
Authors: Reymond Jean-Louis
Published: May 2022

High-throughput screening for catalysis is a critical technology in all experiments aimed at modifying or creating enzymes by directed evolution, as well as for biodiversity mining for new catalysts. We have developed a series of enzyme assays based on fluorogenic substrates and on
fluorescent product sensors. These new assays offer the possibility to assay chemically non-activated functional groups within chiral molecules with unprecedented sensibility and selectivity. Assays are exemplified for alcohol dehydrogenases, aldolases, lipases and esterases, amidases and
acylases, phosphatases, and epoxide hydrolases. The assays can also be used to isolate catalytic antibodies by screening libraries produced by immunization with transition-state analogs. These assays are suitable for microtiter plate and higher miniaturization formats.
NMR Spectroscopy: Increased Sensitivity for Detecting Heteronuclear ¹H-¹³C Couplings through Multiple and Single Bonds
Authors: Burger Rémy , Schorn Christian , Bigler Peter
Published: May 2022

A new 20 pulse sequence HMSC (Heteronuclear Multiple- and Single-bond coupling Correlations) for the simultaneous detection of long-range and one-bond heteronuclear connectivities is proposed, which allows the two types of responses to be separated and the corresponding nJCH and 1JCH connectivity maps to be calculated. Unlike standard methods, designed to measure one single type of heteronuclear spin-spin interaction, and to efficiently suppress the other, both nJCH and 1JCH are measured simultaneously in a single experiment with the HMSC pulse sequence. Compared to the common strategy with two standard experiments applied one after the other, e.g. HMBC and HMQC, valuable measuring time may be saved with this single experiment approach. The efficiency of the new pulse sequence and the quality of the corresponding spectra is demonstrated and compared with the results obtained with the standard HMBC experiment using bacdanol.The attractive and unique single experiment approach together with its easy experimental set-up and straightforward data processing makes HMSC a valuable experimental alternative for the today's more time-consuming 'two-step' practice and makes it suitable for standard routine applications.
Neurotoxic Peptides in the Multicomponent Venom of the Spider Cupiennius Salei Part I. Primary Structure of Neurotoxic Peptides in Relation to their Biological Function
Authors: Schaller Johann , Kuhn-Nentwig Lucia , Schürch Stefan , Kämpfer Urs , Mülier Jürg , Nentwig Wolfgang
Published: May 2022

Beside other components, spider venom contains neurotoxically acting peptides which predominantly target a variety of different ion channels within the spider's prey. From the multicomponent venom of Cupiennius salei 13 toxic peptides (CSTX-1 – CSTX-13) were purified by a combination of gel filtration, cation-exchange chromatography, and reverse-phase HPLC. The amino acid sequence of two important neurotoxic peptides, CSTX-1 (74 residues, 8352.6 Da) and CSTX-9 (68 residues, 7530.9 Da), as well as CSTX-2a (61 residues, 6865.7 Da), a truncated form of CSTX-1, were determined by Edman degradation. Sequence comparison of CSTX-1 with CSTX-9 revealed an identity of 53% as well as identical positions of all eight cysteine residues. CSTX-1 and CSTX-9 share the same disulphide bridge pattern linking Cys1–Cys4, Cys2–Cys5, Cys3–Cys8 and Cys6–Cys7. This disulphide bridge pattern is also found in other spider toxins such as agatoxins and curtatoxins. CSTX-1 and CSTX-9 belong to the family of the ion channel toxins containing the inhibitor cystine knot structural motif with the consensus sequence: CX3-7CX3-10CX0-7CX1-8CX4-20C. CSTX-2a and CSTX-9, lacking the lysine-rich C-terminal tail of CSTX-1, exhibit a much lower toxicity for Drosophila melanogaster than CSTX-1, providing good evidence for the direct involvement of this lysine-rich C-terminal tail in the toxicity of CSTX-1.
Neurotoxic Peptides in the Multicomponent Venom of the Spider Cupiennius Salei Part II. Elucidation of the Disulphide-Bridge Pattern of the Neurotoxic Peptide CSTX-9 by Tandem Mass Spectrometry
Authors: Schürch Stefan , Schaller Johann , Kämpfer Urs , Kuhn-Nentwig Lucia , Nentwig Wolfgang
Published: May 2022

The disulphide-bridge pattern of the CSTX-9 polypeptide present in the multicomponent venom of the spider Cupiennius salei was determined de novo by nano-electrospray tandem mass spectrometry. Cleavage of native CSTX-9 with immobilized trypsin resulted in four disulphide-linked peptides with a mass of 2953.43 Da, which were subjected to low-energy collision-induced dissociation (CID) in a hybrid quadrupole time-of-flight (QqTOF) mass spectrometer. The product ion spectra not only provided sequence information of the peptides, the occurrence of characteristic fragment ions generated by cleavage of the peptide bonds adjacent to the bridged cysteines also allowed the disulphide-bridge pattern to be identified unambiguously. CSTX-9 was found to be a member of the neurotoxic polypeptide family incorporating the inhibitor cystine knot (ICK) structural motif. The results demonstrate the potential of modern analytical instrumentation for elucidation of complex molecular structures.
Aufbau komplementärer Kompetenzen am Beispiel der angewandten Rheologie
Authors: Aebischer Jean-Nicolas , Roth Thomas
Published: May 2022

In this article we present an example of how complementary know-how can be acquired in the field of applied physical chemistry at the School of Engineering of Fribourg. The acquisition of such complementary competence – in our case it was applied rheology - is financed by the
strategic reserve funds of the University of Applied Sciences of Western Switzerland. As one of the different results of the project, which was sponsored for one year, we present a lab course experiment dealing with rheokinetics (polymerization of acrylamide).
Es begann vor 100 Jahren: Kurzfassung der Geschichte der Schweizerischen Chemischen Gesellschaft
Authors: Kalvoda Jaroslav
Published: May 2022

On August 6th, 1901, the Swiss Chemical Society (SCS) was founded as the first independent association of Swiss chemists, to safeguard their professional interests and foster research in all fields of chemistry. From originally some 80 members in 1902 the Society grew to more than 2000
in the middle of the fifties. Four Nobel-Prize winners – Alfred Werner, Paul Karrer, Leopold Ruzicka, and Vladimir Prelog – served as presidents of the SCS. During the 90 years of its history, the Society represented members of academia as well as the research-oriented chemical
community in industry. In 1917 the SCS founded its own scientific journal 'Helvetica Chimica Acta', which eventually became an important mirror of Swiss chemistry. Three different types of prizes and medals were awarded to a large number of Swiss and foreign scientists for their valuable and
unique contributions to chemistry. At the end of the eighties, sections were formed to represent specific fields of chemistry (e.g. medicinal chemistry). At this time coordination discussions were taken up between the SCS and the 'Association of Swiss Chemists (ASC)' – a professional
body founded in 1920 and representing the scientific interests of more technologically and industrially oriented chemists. Finally, in March 1992, the two organizations merged, to form the 'New Swiss Chemical Society'. In March 2001 its name was changed to the 'Swiss Chemical Society' again.
Snapshots
Authors: Chen Peter
Published: May 2022

Reactive intermediates – their generation, characterization, and manipulation – is the central theme running through the research program in the Chen group. The range of chemical systems studied spans organic, organometallic, and physical chemistry. The inherently multidisciplinary
work leads to new insights in chemical reactivity, as well as applications in fields as diverse as drug discovery, homogeneous catalysis, and combustion chemistry.
Developing Catalytic Enantioselective Fluorination
Authors: Togni Antonio , Mezzetti Antonio , Barthazy Peter , Becker Claus , Devillers Ingrid , Frantz Richard , Hintermann Lukas , Perseghini Mauro , Sanna Maria
Published: May 2022

The background that led to the development ofthe first catalytic and enantioselective carbon-fluorine bond-forming reaction is presented. Two different approaches, i.e. the use of nucleophilic and electrophilic fluorinating agents, respectively, have been pursued. Well-defined RU(II) 16-electron systems of the type [RuF(PP)2]+ (where PP is a chelating diphosphine), as well as analogous complexes containing tetradentate PNNP ligands, were found to catalyze the halogen exchange reaction of activated alkyl chlorides, bromides, and iodides in the presence of TIF as the fluorine source. Isolable crystalline [TiCl2 (TADDOLato)] complexes are efficient catalysts in the enantioselective fluorination of 2-substituted 1,3-dicarbonyl compounds with Selectfluor® (also called F-TEDA; 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis{tetrafluoroborate}). Levels of enantioselectivity up to 90% ee were obtained.
Design and Synthesis of Functional Molecular Architecture
Authors: Diederich François
Published: May 2022

The central theme of the research conducted by the Diederich group is the creation of functional molecular architecture by design and advanced synthesis. Function is explored through interdisciplinary study, wherein national and international collaborations provide fertile grounds. Four areas of research are pursued: (i) In covalent fullerene chemistry, regio- and stereoselective templated synthesis protocols are developed to prepare three-dimensional building blocks for supramolecular construction and advanced materials such as electrochemical ion sensors. (ii) Advanced materials are also targeted by acetylenic scaffolding. Macrocyclic scaffolds of interest include perethynylated expanded radialenes featuring large π-conjugated all-carbon cores. Acyclic scaffolds such as monodisperse poly(triacetylene) (PTA)oligomers, with linear, π-conjugated allcarbon backbones expanding up to 18 nm length, are also actively investigated. Arylated tetraethynylethenes undergo photochemical cis→ trans and trans→ cis isomerization without competing thermal isomerization pathways – promising applications of these materials are foreseen in optical switching and memory storage devices. (iii) In supramolecular chemistry, dynamic receptors are developed with the potential to function as 'molecular grippers' on the single molecule level. Dendritic porphyrins are efficient models of hemoglobin and myoglobin and bind O2 strongly and reversibly. They are also ideal model systems to explore the influence of the protein shell on the redox potential ofthe FeIII/II couple in electron transfer proteins such as the cytochromes. (iv) Finally, the detailed understanding of molecular recognition principles generated in the studies with artificial receptors provides the basis for a modern medicinal chemistry program aimed at the structure-based de novo design of nonpeptidic enzyme inhibitors.
Flexible Synthetic Approaches to Monoterpene Indole Alkaloids
Authors: Frauenfelder Christine , Schmid Gavin A. , Vogelsang Thomas , Borschberg Hans-Jürg
Published: May 2022

Preliminary model studies have demonstrated that our novel synthetic approaches to the Iboga- and seco-Yohimbine alkaloid families represent viable concepts for flexible strategies towards these alkaloid classes. The key step in the iboga case consists of an intramolecular nitrone-olefin 1,3-dipolar cycloaddition reaction of a monocyclic intermediate to yield a tricyclic isoxazolidine derivative that contains all of the stereochemical information of the envisaged final targets. The novel approach to seco-yohimbines involves a Cope-rearrangement of an appropriately functionalized azacyclodeca-3,7-diene precursor to establish ring D of the alkaloid target. Mild thermal treatment of an (E,E)-model compound gave the expected trans-3,4-divinylpiperidine derivative in 83% yield as the only detectable representative out of four possible diastereoisomers. In the context of an envisaged biomimetic synthesis of the hexacyclic Aristotelia alkaloid aristone, the feasibility of thermally induced oxy-ene and of anionic oxy-ene reactions was investigated employing a variety of model compounds. As it turned out, such transformations can be performed under various reaction conditions in mostly good yields and with excellent diastereoselectivity.
NMR Study of the p-DNA Duplex [(4→?2')-3'-Desoxyribopyranosyl-(ᵐ⁵CGDDTTᵐ⁵CG)₂] and Comparison with its p-RNA Analogue
Authors: Ebert Marc-Olivier , Ackermann Damian , Pitsch Stefan , Jaun Bernhard
Published: May 2022

The determination of the solution structure of small non-natural oligopeptides and oligonucleotides by NMR, which is one of the main research topics of our group, is illustrated on the example of an 8-mer p-DNA duplex. p-DNA, the 3'-desoxy analogue of p-RNA, forms an highly selective
pairing system but its pairing strength is less than that of analogous p-RNA sequences. The NMR study reveals that the backbone of p-DNA corresponds more closely to the conformation predicted for pentapyranose nucleic acids by qualitative conformational analysis than p-RNA.
Chemical Analyses of Ancient Ceramics: What for?
Authors: Maggetti Marino
Published: May 2022

Several examples of the use of chemical methods to solve questions such as the effects of soil contamination, the use, the provenance, and the manufacturing of clay-based ceramics are presented. As illustrated by the element phosphorus, it is possible for chemical components to migrate
into and out of a broken pot during the burial stage. The analysis of food residues, such as crusts on or organic substances in the ceramic piece shows that the medieval population in England ate mainly cabbage, whereas the Indians of Manitoba (Canada) relied on a diet of fish and animal fats
during the 10th–16th centuries. The chemical analysis of the unusually large bricks produced by Cistercian monks in Switzerland during the 13th century gives evidence of the existence of other manufacturing places, such as Fraubrunnen and Frienisberg, in addition to the main factory
located at the monastery of St. Urban. Some 18th to 19th century Swiss fayences from the Matzendorf and Kilchberg-Schooren production sites are not easy to attribute to a specific center based on stylistic arguments alone, but they can be clearly differentiated in their chemical composition.
Furthermore, scientific evidence suggests that artisans moved from Kilchberg-Schooren to Matzendorf, and vice versa. As exemplified by the so-called 'glossy clay layer', surprising results show that not only the mineralogical and chemical composition of the clay layer, but also the
CaO content of the ceramic body, has a significant influence on the gloss – a fact that was well known to ancient Roman potters.
Mass Deacidification of Paper
Authors: Blüher Agnes , Vogelsanger Beat
Published: May 2022

Paper, the carrier of our written heritage, decays within a relatively short period of time mainly due to its acid content and the influence of air pollution. More than 50% of the records of our libraries and archives are already at risk. Mass deacidification allows this problem to
be counteracted by significantly slowing down the deterioration of paper and thereby prolonging its life span. An overview of all relevant mass deacidification methods is given. As it was found that the 'papersave' method was the most suitable to meet Swiss requirements, a plant using an optimised
version of this method was built and put into service in March 2000. Thanks to this optimisation, not only books and loose sheets but also documents in archival boxes could be mass-deacidified for the first time. Due to the necessity to analyse not only test papers but also original documents,
new non-destructive testing methods had to be developed. Findings of basic investigations regarding treatment effects as well as results of routine quality control turned out to be very satisfactory.
Felix Mendelssohn
Authors: Sühring Peter
Published: May 2022

Die kurze Darstellung von Leben und Musik des Komponisten, Pianisten und Dirigenten Felix Mendelssohn (1809–47) basiert auf einer langen Beschäftigung mit seinen auch unbekannteren Werken und versucht eine andere Sicht auf ihn, jenseits der Klischees von Oberflächlichkeit und Tiefe, handwerklicher Glätte und Gefühlsausdruck. Dies erfordert einige Gegendarstellungen zu kursierenden Legenden. Mendelssohns in sich vielfältige Einstellung zum Komponieren und Aufführen von Musik, seine Verankerung im deutschen Protestantismus, die ihn aber nicht dran hinderte, für alle Konfessionen zu komponieren, seine Hinwendung zur mosaischen Religion, sein produktives Anknüpfen an verschiedene geistesgeschichtliche und musikalische Traditionen, sein mutiges Voranschreiten in der Erfindung neuer musikalischer Formen und Harmonien - aus all diesen Erscheinungen wird hier die widersprüchliche Summe eines Musikerlebens gezogen. (Autor)
A Graph-Theoretic Generalization of the Least Common Subsumer and the Most Specific Concept in the Description Logic EL
Authors:   Theoretical Computer Science Dresden University of Technology, Baader Franz
Published: May 2022

In two previous papers we have investigates the problem of computing the least common subsumer (lcs) and the most specific concept (msc) for the description logic EL in the presence of terminological cycles that are interpreted with descriptive semantics, which is the usual first-order semantics for description logics. In this setting, neither the lcs nor the msc needs to exist. We were able to characterize the cases in which the lcs/msc exists, but it was not clear whether this characterization yields decidability of the existence problem. In the present paper, we develop a common graph-theoretic generalization of these characterizations, and show that the resulting property is indeed decidable, thus yielding decidability of the existence of the lcs and the msc. This is achieved by expressing the property in monadic second-order logic on infinite trees. We also show that, if it exists, then the lcs/msc can be computed in polynomial time.
Quantitative Temporal Logics: PSpace and below
Authors:   Institut für Theoretische Informatik TU Dresden, Lutz Carsten , Walther Dirk ,   Dept. of Computer Science, University of Liverpool, Wolter Frank ,   Dept. of Computer Science, University of Liverpool
Published: May 2022

Often the addition of metric operators to qualitative temporal logics leads to an increase of the complexity of satisfiability by at least one exponential. In this paper, we exhibit a number of metric extensions of qualitative temporal logics of the real line that do not lead to an increase in computational complexity. The main result states that the language obtained by extending since/until logic of the real line with the operators 'sometime within n time units', n coded in binary, is PSpace-complete even without the finite variability assumption. Without qualitative temporal operators the complexity of this language turns out to depend on whether binary or unary coding of parameters is assumed: it is still PSpace-hard under binary coding but in NP under unary coding.
Connecting many-sorted theories
Authors:   Institut für Theoretische Informatik TU Dresden, Baader Franz , Ghilardi Silvio ,   Dipartimento di Scienze dell'Informazione, Università degli Studi di Milano
Published: May 2022

Basically, the connection of two many-sorted theories is obtained by taking their disjoint union, and then connecting the two parts through connection functions that must behave like homomorphisms on the shared signature. We determine conditions under which decidability of the validity of universal formulae in the component theories transfers to their connection. In addition, we consider variants of the basic connection scheme.
PDL with Intersection and Converse is Decidable
Authors:   Institute of Theoretical Computer Science, Lutz Carsten
Published: May 2022

In its many guises and variations, propositional dynamic logic (PDL) plays an important role in various areas of computer science such as databases, artificial intelligence, and computer linguistics. One relevant and powerful variation is ICPDL, the extension of PDL with intersection and converse. Although ICPDL has several interesting applications, its computational properties have never been investigated. In this paper, we prove that ICPDL is decidable by developing a translation to the monadic second order logic of infinite trees. Our result has applications in information logic, description logic, and epistemic logic. In particular, we solve a long-standing open problem in information logic. Another virtue of our approach is that it provides a decidability proof that is more transparent than existing ones for PDL with intersection (but without converse).
Complexity and Succinctness of Public Announcement Logic
Authors:   Institut für Theoretische Informatik TU Dresden, Lutz Carsten
Published: May 2022

There is a recent trend of extending epistemic logic (EL) with dynamic operators that allow to express the evolution of knowledge and belief induced by knowledge-changing actions. The most basic such extension is public announcement logic (PAL), which is obtained from EL by adding an operator for truthful publix announcements. In this paper, we consider the computational complexity of PAL and show that it coincides with that of EL. This holds in the single- and multi-agent case, and also in the presence of common knowledge operators. We also prove that there are properties that can be expressed exponentially more succint in PAL than in EL. This shows that, despite the known fact that PAL and EL have the same expressive power, ther eis a benefit in adding the public announcement operator to EL: it exponentially increases the succinctness of formulas without having negative effects on computational complexity.
Evolutionary DRL Environment: Transfer Learning-Based Genetic Algorithm
Authors: Hirchoua Badr , Mountasser Imadeddine , Ouhbi Brahim , Frikh Bouchra
Published: May 2022

Stock markets trading has risen as a critical challenge for artificial intelligence research. The way stock markets are moving and changing pushes researchers to find more sophisticated algorithms and strategies to anticipate the market movement and changes. From the artificial intelligence perspective, such environments require artificial agents to coordinate and transfer their best experience through different generations of agents. However, the existing agents are trained using hand-crafted expert features and expert capabilities. Notwithstanding these refinements, no previous single system has come near to dominating the trading environment. We address the algorithmic trading problem utilising an evolutive learning method. Precisely, we train a multi-agent reinforcement learning algorithm that uses only self trades generated by different generations of agents. The evolution-based genetic algorithm operates as an evolutive environment that continually adapts the agent's internal strategies and tactics. Also, it pushes the system forward to generate creative behaviours for the next generations. Additionally, a deep recurrent neural network drives the mutation mechanism through the attention that dynamically encodes the memory mutation size. The winner, which is the last agent, achieved promising performances and surpassed traditional and intelligent baselines.
Simplified Specification of Data Requirements for Demand-Actuated Big Data Refinement
Authors: Stach Christoph , Bracker Julia , Eichler Rebecca , Giebler Corinna , Mitschang Bernhard
Published: May 2022

Data have become one of the most valuable resources in modern society. Due to increasing digitalization and the growing prevalence of the Internet of Things, it is possible to capture data on any aspect of today's life. Similar to physical resources, data have to be refined before they can become a profitable asset. However, such data preparation entails completely novel challenges: For instance, data are not consumed when being processed, whereby the volume of available data that needs to be managed increases steadily. Furthermore, the data preparation has to be tailored to the intended use case in order to achieve an optimal outcome. This, however, requires the knowledge of domain experts. Since such experts are typically not IT experts, they need tools that enable them to specify the data requirements of their use cases in a user-friendly manner. The goal of this data preparation is to provide any emerging use case with demand-actuated data.}{With this in mind, we designed a tailorable data preparation zone for Data Lakes called BARENTS\@. It provides a simplified method for domain experts to specify how data must be pre-processed for their use cases, and these data preparation steps are then applied automatically. The data requirements are specified by means of an ontology-based method which is comprehensible to non-IT experts. Data preparation and provisioning are realized resource-efficient by implementing BARENTS as a dedicated zone for Data Lakes. This way, BARENTS is seamlessly embeddable into established Big Data infrastructures.}{This article is an extended and revised version of the conference paper ``Demand-Driven Data Provisioning in Data Lakes: BARENTS\,---\,A Tailorable Data Preparation Zone'' by Stach~et~al.~\cite{Stach2021}. In comparison to our original conference paper, we take a more detailed look at related work in the paper at hand. The emphasis of this extended and revised version, however, is on strategies to improve the performance of BARENTS and enhance its functionality. To this end, we discuss in-depth implementation details of our prototype and introduce a novel recommender system in BARENTS that assists users in specifying data preparation steps.
Hybrid Metadata Classification in Large-scale Structured Datasets
Authors: Pavia Sophie , Piraino Nick , Islam Kazi , Pyayt Anna , Gubanov Michael
Published: May 2022

Metadata location and classification is an important problem for large-scale structured datasets. For example, Web tables \cite{wt_corpus} have hundreds of millions of tables, but often have missing or incorrect labels for rows (or columns) with attribute names. Such errors \cite{wtitles} significantly complicate all data management tasks such as {\em query processing, data integration, indexing}, etc. Different sources or authors position metadata rows/columns differently inside a table, which makes its reliable identification challenging.In this work we describe our scalable, hybrid two-layer Deep- and Machine-learning based ensemble, combining Long Short Term Memory (LSTM) and Naive Bayes Classifier to accurately identify Metadata-containing rows or columns in a table. We have performed an extensive evaluation on several datasets, including an ultra large-scale dataset containing more than 15 million tables coming from more than 26 thousands of sources to justify scalability and resistance to variety, stemming from a large number of sources. We observed superiority of this two-layer ensemble, compared to the recent previous approaches and report an impressive 95.73\text{\%} accuracy at scale with our ensemble model using regular LSTM.
Deterministic algorithms for the hidden subgroup problem
Authors: Nayak Ashwin
Published: May 2022

We present deterministic algorithms for the Hidden Subgroup Problem. The first algorithm, for abelian groups, achieves the same asymptotic worst-case query complexity as the optimal randomized algorithm, namely~$ \Order(\sqrt{ n}\, )$, where~$n$ is the order of the group. The analogous algorithm for non-abelian groups comes within a~$\sqrt{ \log n}$ factor of the optimal randomized query complexity. The best known randomized algorithm for the Hidden Subgroup Problem has \emph{expected\/} query complexity that is sensitive to the input, namely~$ \Order(\sqrt{ n/m}\, )$, where~$m$ is the order of the hidden subgroup. In the first version of this article~\cite[Sec.~5]{Nayak21-hsp-classical}, we asked if there is a deterministic algorithm whose query complexity has a similar dependence on the order of the hidden subgroup. Prompted by this question, Ye and Li~\cite{YL21-hsp-classical} present deterministic algorithms for \emph{abelian\/} groups which solve the problem with~$ \Order(\sqrt{ n/m }\, )$ queries, and find the hidden subgroup with~$ \Order( \sqrt{ n (\log m) / m} + \log m ) $ queries. Moreover, they exhibit instances which show that in general, the deterministic query complexity of the problem may be~$\order(\sqrt{ n/m } \,)$, and that of \emph{finding\/} the entire subgroup may also be~$\order(\sqrt{ n/m } \,)$ or even~$\upomega(\sqrt{ n/m } \,) $.}We present a different deterministic algorithm for the Hidden Subgroup Problem that also has query complexity~$ \Order(\sqrt{ n/m }\, )$ for abelian groups. The algorithm is arguably simpler. Moreover, it works for non-abelian groups, and has query complexity~$ \Order(\sqrt{ (n/m) \log (n/m) }\,) $ for a large class of instances, such as those over supersolvable groups. We build on this to design deterministic algorithms to find the hidden subgroup for all abelian and some non-abelian instances, at the cost of a~$\log m$ multiplicative factor increase in the query complexity.
An exact quantum hidden subgroup algorithm and applications to solvable groups
Authors: Imran Muhammad , Ivanyos Gabor
Published: May 2022

We present a polynomial time exact quantum algorithm for the hidden subgroup problem in $\Z_{m^k}^n$. The algorithm uses the quantum Fourier transform modulo $m$ and does not require factorization of $m$. For smooth $m$, i.e., when the prime factors of $m$ are of size $(\log m)^{O(1)}$, the quantum Fourier transform can be exactly computed using the method discovered independently by Cleve and Coppersmith, while for general $m$, the algorithm of Mosca and Zalka is available. Even for $m=3$ and $k=1$ our result appears to be new. We also present applications to compute the structure of abelian and solvable groups whose order has the same (but possibly unknown) prime factors as $m$. The applications for solvable groups also rely on an exact version of a technique proposed by Watrous for computing the uniform superposition of elements of subgroups.
Metric properties of alternative fidelities
Authors: Khoi Vu The , Toan Ho Minh
Published: May 2022

On the space of mixed quantum states, several alternative fidelities have been proposed besides the standard Uhlmann-Jozsa fidelity. It has been known that several properties of the Uhlmann-Jozsa fidelity still hold true for these alternative fidelities. The aim of this paper is to give positive answers to some questions about the metric properties of functionals of alternative quantum fidelities raised by Y. C. Liang {\it et al.} in \cite{LYM}. Our method is to use the non-negativity of the Gram determinant of three vectors constructed from the quantum states to prove the triangle inequality for the modified Bures angle.
Quantum circuit learning to predict experimental chemical properties
Authors: Hatakeyama-Sato Kan , Igarashi Yasuhiko , Kashikawa Takahiro , Kimura Koichi , Oyaizu Kenichi
Published: May 2022

We introduce quantum circuit learning (QCL) as an emerging regression algorithm for chemo- and materials-informatics. The supervised model, functioning on the rule of quantum mechanics, can learn various linear and non-linear functions from small datasets (< 100 records). Its prediction process is studied by analyzing and visualizing the complex latent variables. We also show that the QCL model was powerful in predicting values in extrapolating regions. The advantage is demonstrated with several experimental chemical databases. The superior accuracies against conventional models (random forest, support vector machine, and linear algorithms) promise a new possibility of exploring new materials, breaking the traditional performance limits.
Solid-phase synthesis of cereblon-recruiting selective histone deacetylase 6 degraders (HDAC6 PROTACs) with anti-leukemic activity
Authors: Sinatra Laura , Yang Jing , Schliehe-Diecks Julian , Dienstbier Niklas , Vogt Melina , Gebing Philip , Bachmann Luisa M. , Sönnichsen Melf , Lenz Thomas , Stühler Kai , Schöler Andrea , Borkhardt Arndt , Bhatia Sanil , Hansen Finn K.
Published: May 2022

Selective histone deacetylase 6 (HDAC6) inhibitors are useful tools to study the function of the second catalytic domain of HDAC6, but they cannot interfere with (non)-enzymatic functions of HDAC6, which are mediated via the first catalytic domain or the ubiquitin binding domain. In this work, we utilized the proteolysis targeting chimera (PROTAC) technology to achieve the chemical knock-down of HDAC6. Two series of cereblon-recruiting PROTACs were synthesized via a solid-phase parallel synthesis approach, which allowed the rapid preparation of two HDAC6 degrader mini libraries. The PROTACs were either based on an unselective vorinostat-like HDAC ligand or derived from a selective HDAC6 inhibitor. Notably, both PROTAC series demonstrated selective degradation of HDAC6 in leukemia cell lines. The best degraders from each series (denoted A6 and B4) were capable of degrading HDAC6 via ternary complex formation and the ubiquitin−proteasome pathway, with DC50 values of 3.7 and 13.3 nM, respectively. Moreover, HDAC6 degradation of A6 and intracellular (nucleocytoplasmic) localization of a fluorescein-labelled PROTAC (A7) was determined by fluorescence microscopy. PROTAC A6 demonstrated promising antiproliferative activity via inducing apoptosis in myeloid leukemia cell lines. These findings highlight the potential of this series of degraders as effective pharmacological tools for the targeted degradation of HDAC6.
Ab Initio Molecular Dynamics Study of Heterogeneity at Amorphous Silica/Water Interface
Authors: Joutsuka Tatsuya
Published: May 2022

We study the surface heterogeneity of the amorphous silica/water interface by ab initio molecular dynamics simulations. The structure of bulk amorphous silica produced by thermal annealing and the silanol (Si-OH) density at the silica surface reproduce the experiment. The angular probability distribution of silanol OH groups along the surface normal direction is quite broad, and the computed pKa strongly depends on the silanol species. All computed properties show large heterogeneity of the interface.
Selective phosphorylation of RNA- and DNA-nucleosides under prebiotically plausible conditions
Authors: Bechtel Maximilian , Hümmer Eva , Trapp Oliver
Published: May 2022

Nucleotides play a fundamental role in organisms, from adenosine triphosphate (ATP), the body's main source of energy, to cofactors of enzymatic reactions (e.g. coenzyme A), to nucleoside monophosphates as essential building blocks of deoxyribonucleic acid (DNA) and ribonucleic acid (RNA). Although nucleotides play such an elemental role, there is no pathway to date for the selective formation of nucleoside 5'-monophosphates. Here we demonstrate a selective reaction pathway for 5’ mono-phosphorylation for all canonical purine and pyrimidine bases under exceptionally mild prebiotic relevant conditions in water and without using a condensing agent. The pivotal reaction step involves activated imidazolidine-4-thione phosphates. The selective formation of non-cyclic mono-phosphorylated nucleosides represents a novel and unique route to nucleotides and opens exciting perspectives in the study of the origins of life.
Progressive Alignment of Crystals: Reproducible and Efficient Assessment of Crystal Structure Similarity
Authors: Nessler Aaron , Okada Okimasa , Hermon Mitchell , Nagata Hiroomi , Schnieders Michael
Published: May 2022

During in silico crystal structure prediction of organic molecules, millions of candidate structures are often generated. These candidates must be compared to remove duplicates prior to further analysis (e.g., optimization with electronic structure methods) and ultimately compared with structures determined experimentally. The agreement of predicted and experimental structures forms the basis of evaluating the results from the Cambridge Crystallographic Data Centre (CCDC) blind assessment of crystal structure prediction, which further motivates the importance of rigorous alignments. Evaluating crystal structure packings in a reproducible manner requires not only calculating a coordinate root-mean-square deviation (RSMD) for N molecules (or N asymmetric units), but we argue should also include metrics to describe the shape of the compared molecular clusters to account for alternative approaches used to prioritize selection of molecules. Here we describe a flexible algorithm called Progressive Alignment of Crystals (PAC) to evaluate crystal packing similarity using coordinate RMSD and introduce radius of gyration (Rg) as a metric to quantify the shape of the superimposed clusters. We show that the absence of metrics to describe cluster shape adds ambiguity to the results of the CCDC blind assessments because it is not possible to determine whether the superposition algorithm prioritized tightly packed molecular clusters (i.e., to minimize Rg) or prioritized reduced RMSD (i.e., via possibly elongated clusters with relatively larger Rg). For example, we show that when the PAC algorithm described here uses “single linkage” to prioritize molecules for inclusion in the superimposed clusters, our results are nearly identical to those calculated by the widely used program COMPACK. However, we favor the lower Rg values obtained by use of “average linkage” for molecule prioritization because the resulting RMSDs more equally reflect the importance of packing along each dimension. We conclude by showing that the PAC algorithm is faster than COMPACK when using a single process, demonstrate its utility for biomolecular crystals, and finally present parallel scaling up to 64 processes in the open-source code Force Field X.
La fibra óptica: "Canales de luz" Una revolución en comunicaciones
Authors: Schwarz Max
Published: May 2022

No presenta resumen.
El Consejo Nacional de Facultades y Escuelas de Ingeniería Industrial
Authors: Fernández Velázquez Bernardo
Published: May 2022

En esta convención se formuló los siguientes planteamientos que fueron acogidos con entusiasmo por todos los asistentes.
Nueva Planta de la Cervecería Backus y Johnson S.A.
Authors: Pardo Boza Jorge
Published: May 2022

No presenta resumen.
El Programa Bolívar y la formación de cuadros gerenciales en calidad y productividad
Authors: Urrunaga Díaz Víctor , Quevedo-De-la-Cruz Isaías
Published: May 2022

No presenta resumen.
Física nuclear y partículas. Diagramas de Feynman
Authors: Ordoñez Ortiz Manuel Jenaro
Published: May 2022

Se muestra una formulación matemática conocida como los Diagramas de Feynman para visualizar un proceso de interacción entre las partículas elementales.