Doris E. Braun, Volker Kahlenberg, Thomas Gelbrich, J. Ludescher, Ulrich J. Griesser,
The study describes the solid state behaviour, and the thermal and structural features of four monosolvates of cinacalcet hydrochloride with acetic acid, chloroform, 1,4-dioxane, and tetrachloromethane, and summarises the transformation and production pathways of the seven crystal forms of this promising drug compound (calcimimetic). The solvates were identified and characterised by hot-stage microscopy, differential scanning calorimetry, thermogravimetric analysis, FT-infrared and Raman spectroscopy, ...
Tópico(s): Chemical Thermodynamics and Molecular Structure
2008 - Royal Society of Chemistry | CrystEngComm
S.-M. Thomas, Monika Koch‐Müller, Volker Kahlenberg, Rainer Thomas, Dieter Rhede, Richard Wirth, Bernd Wunder,
To gain insight into hydroxyl solubilities and possible hydration mechanisms of mantle silicates, as well as to test the utility of germanium analog models in studies of water-related defects, our present work is focused on the protonation of germanium analogs of silicates.
Tópico(s): Crystal Structures and Properties
2008 - Mineralogical Society of America | American Mineralogist
Michael Hummel, Gerhard Laus, A. Schwarzler, G. Bentivoglio, Egon Rubatscher, Holger Kopacka, Klaus Wurst, Volker Kahlenberg, Thomas Gelbrich, Ulrich J. Griesser, Thomas Röder, Hedda K. Weber, Herwig Schottenberger, Herbert Sixta,
This article gives a comprehensive overview of the relevant literature with respect to recent developments and potential uses of halide-containing and, preferably, halide-free ionic liquids (ILs) in the field of polysaccharide chemistry and engineering, and then proceeds to forthcoming concepts in industrial processing of (ligno)cellulosic materials. In addition, selected new halide-free ILs are described.
Tópico(s): Biochemical and biochemical processes
2010 - American Chemical Society | ACS symposium series
Volker Kahlenberg, Thomas Langreiter, Erik Arroyabe,
Abstract The crystal structure of sodium pyrosilicate (Na 6 Si 2 O 7 ) was solved from single crystal diffraction data and refined to an R index of 0.051 for 17034 independent reflections. The compound is triclinic with space group P ( a = 5.8007(8) Å, b = 11.5811(15) Å, c = 23.157(3) Å, α = 89.709(10)°, β = 88.915(11)°, γ = 89.004(11)°, V = 1555.1(4) Å 3 , Z = 8, D x = 2.615 g · cm –3 , μ (Mo‐ K α ) = 7.94 cm –1 ). A characteristic feature of the crystals is a twinning by reticular pseudo‐merohedry, which simulates a much larger monoclinic ...
Tópico(s): Zeolite Catalysis and Synthesis
2010 - Wiley | Zeitschrift für anorganische und allgemeine Chemie
Volker Kahlenberg, Thomas Messner,
This category provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Submissions should follow the standard format given in J. Appl.
Tópico(s): Scientific Computing and Data Management
2001 - Wiley | Journal of Applied Crystallography
Kevin G. Billingsley, Lawrence E. Stern, Andrew M. Lowy, Morton S. Kahlenberg, Charles R. Thomas,
The neoplasms of the anus discussed in this article are uncommon, and therefore lack a consistent diagnostic and treatment algorithm derived from prospective clinical trial datasets. There may be an opportunity to design prospective Phase II clinical trials, with established uniform surgical pathology, surgical technique guidelines, and endpoints. The American College of Surgeons Oncology Group may have an opportunity to design and carry out controlled clinical trials for select rare anal neoplasms. ...
Tópico(s): Soft tissue tumor case studies
2004 - Elsevier BV | Surgical Oncology Clinics of North America
Elke Schwertz, Franka Kahlenberg, Ulrich Sack, Thomas Richter, Martin Stern, Karsten Conrad, Klaus‐Peter Zimmer, Thomas Mothes,
Celiac disease (CD) is induced by wheat gliadins and related cereal proteins. Anti-gliadin antibodies (AGAs) are present in the serum of CD patients, but these antibodies have lower diagnostic specificity and sensitivity than autoantibodies [anti-endomysium antibodies (AEmAs) and anti-tissue transglutaminase antibodies (AtTGAs)]. Recently, AGAs from CD patients were found to recognize deamidated gliadin peptides, probably formed by the action of tissue transglutaminase.We synthesized several gliadin ...
Tópico(s): Celiac Disease Research and Management
2004 - American Association for Clinical Chemistry | Clinical Chemistry
Gerhard Laus, Volker Kahlenberg, Klaus Wurst, Thomas Müller, Holger Kopacka, Herwig Schottenberger,
Two methods (MeOH/K 2 CO 3 , pyridine/Et 3 N) were assessed for the introduction of sulfur into the 2-position of 1,3-disubstituted quaternary imidazolium salts 1-9 (Cl, I, BF 4 , PF 6 , CH 3 OSO 3 were used as anions) to yield nine 1,3-disubstituted imidazoline-2-thiones 10-18 (1, 10: R 1 = CH 3 , R 2 = CH 3 ; 2, 11: R 1 = OCH 2 Ph, R 2 = CH 3 ; 3, 12: R 1 = OCH 3 , R 2 = CH 3 ; 4, 13: R 1 = OCH 3 , R 2 = OCH 3 ; 5, 14: R 1 = NH 2 , R 2 = CH 2 Ph; 6, 15: R 1 = NCHPh, R 2 = CH 3 ; 7, 16: R 1 = NH 2 , R 2 = CH 3 ; 8, 17: R 1 = NCHPh, R 2 = NCHPh; 9, 18: R 1 = ...
Tópico(s): Synthesis and Characterization of Heterocyclic Compounds
2013 - De Gruyter | Zeitschrift für Naturforschung B
A. Schwarzler, Gerhard Laus, Volker Kahlenberg, Klaus Wurst, Thomas Gelbrich, Christoph Kreutz, Holger Kopacka, Günther K. Bonn, Herwig Schottenberger,
Quaternary salts were prepared by reaction of 4-amino-1,2,4-triazole and 4-amino-3,5-dialkyl- 1,2,4-triazoles (alkyl = Me, Et) with dimethyl and diethyl sulfate at ambient temperature. Subsequent ion metathesis gave hexafluorophosphates and bis(trifluoromethylsulfonyl)imides as crystalline derivatives or ionic liquids.Methylation at 100 ◦ C gave the 4-(dimethylamino)-1-methyl-1,2,4- triazolium salt, a precursor for a new carbene ligand which was incorporated into Ag and Rh complexes. The synthesis of ...
Tópico(s): Asymmetric Hydrogenation and Catalysis
2009 - De Gruyter | Zeitschrift für Naturforschung B
Robert Salchner, Volker Kahlenberg, Thomas Gelbrich, Klaus Wurst, Martin Rauch, Gerhard Laus, Herwig Schottenberger,
Crystal structures of five hexaethylguanidinium salts (PF6− 1, FeCl4− 2, CuCl42−·H2O 3, CoBr42−/Br−·H2O 4, bistriflimide 5) were determined. Short interionic contacts were identified. Cyclic voltammetry of 2 revealed an electrochemical window from +1.0 to −1.5 V with a single Fe(III)/Fe(II) redox event at −0.27 V on a gold electrode versus Ag/AgCl.
Tópico(s): Polyoxometalates: Synthesis and Applications
2014 - Multidisciplinary Digital Publishing Institute | Crystals
Cynthia A. Kahlenberg, Ethan C. Krell, Thomas P. Sculco, Jeffrey N. Katz, Joseph Nguyen, Mark P. Figgie, Peter K. Sculco,
Aims Many patients undergoing total knee arthroplasty (TKA) have severe osteoarthritis (OA) in both knees and may consider either simultaneous or staged bilateral TKA. The implications of simultaneous versus staged bilateral TKA for return to work are not well understood. We hypothesized that employed patients who underwent simultaneous bilateral TKA would have significantly fewer days missed from work compared with the sum of days missed from each operation for patients who underwent staged bilateral ...
Tópico(s): Orthopaedic implants and arthroplasty
2021 - British Editorial Society of Bone & Joint Surgery | The Bone & Joint Journal
Steven R. Alberts, Daniel J. Sargent, Suresh Nair, Michelle R. Mahoney, Margaret Mooney, Stephen N. Thibodeau, Thomas C. Smyrk, Frank A. Sinicrope, Emily Chan, Sharlene Gill, Morton S. Kahlenberg, Anthony F Shields, James T. Quesenberry, Thomas A. Webb, Gist H. Farr, Barbara A. Pockaj, Axel Grothey, Richard M. Goldberg,
Context Leucovorin, fluorouracil, and oxaliplatin (FOLFOX) is the standard adjuvant therapy for resected stage III colon cancer. Adding cetuximab to FOLFOX benefits patients with metastatic wild-type KRAS but not mutated KRAS colon cancer. Objective To assess the potential benefit of cetuximab added to the modified sixth version of the FOLFOX regimen (mFOLFOX6) in patients with resected stage III wild-type KRAS colon cancer. Design, Setting, and Participants A randomized trial of 2686 patients aged 18 years ...
Tópico(s): Gastric Cancer Management and Outcomes
2012 - American Medical Association | JAMA
Doris E. Braun, Thomas Gelbrich, Volker Kahlenberg, Gerhard Laus, J. Wieser, Ulrich J. Griesser,
This work highlights the structural and thermochemical differences of two modifications of the NK1receptor antagonist aprepitant. Form I° is the stable polymorph and crystallises in the orthorhombic space groupP212121 whereas the metastable form II is monoclinic (space groupP21). The monotropically related polymorphs show only minor differences in melting point and heat of fusion (Tfus,I = 253.6, ΔfusHI = 53.7 kJ mol−1, Tfus,II = 253.0 °C, ΔfusHII = 52.4 kJ mol−1) and often crystallise concomitantly. The forms ...
Tópico(s): Molecular Sensors and Ion Detection
2008 - Royal Society of Chemistry | New Journal of Chemistry
Doris E. Braun, Thomas Gelbrich, Volker Kahlenberg, Richard Tessadri, J. Wieser, Ulrich J. Griesser,
A comprehensive characterization (thermal, spectroscopic, crystallographic, temperature- and moisture-dependent stability, and transition characteristics) of solvates of aripiprazole (APZ) with methanol (1:1), ethanol (2:1), dichloroethane (2:1), and a monohydrate is presented. To gain insight into packing similarities and differences, the four hydrate/solvate crystal structures and five APZ modifications were compared using the program XPac. It was found that all forms apart from the hydrate are based ...
Tópico(s): Chemical Thermodynamics and Molecular Structure
2008 - American Chemical Society | Crystal Growth & Design
Doris E. Braun, Thomas Gelbrich, Volker Kahlenberg, Richard Tessadri, J. Wieser, Ulrich J. Griesser,
ABSTRACT: Five phase-pure modifications of the antipsychotic drug aripiprazole were prepared and characterized by thermal analysis, vibrational spectroscopy and X-ray diffractometry. All modifications can be produced from solvents, form I additionally by heating of form X° to ∼120°C (solid–solid transformation) and form III by crystallization from the melt. Thermodynamic relationships between the polymorphs were evaluated on the basis of thermochemical data and visualized in a semi-schematic energy/temperature ...
Tópico(s): Chemical Thermodynamics and Molecular Structure
2008 - Elsevier BV | Journal of Pharmaceutical Sciences
Shawn S. Richardson, Cynthia A. Kahlenberg, Susan M. Goodman, Linda Russell, Thomas P. Sculco, Peter K. Sculco, Mark P. Figgie,
Abstract Background Patients with inflammatory arthritis (IA) are likely at higher risk of postoperative complications following total hip arthroplasty (THA), from the underlying disease, the degree of articular deformity, and immunosuppressive medications. The purpose of this study was to perform a comparative study of the risk of complications after THA between IA and osteoarthritis. Methods A national private insurance database was used to select patients undergoing unilateral primary THA. Patients were ...
Tópico(s): Orthopedic Infections and Treatments
2019 - Elsevier BV | The Journal of Arthroplasty
Frank A. Sinicrope, Qian Shi, Fabienne Hermitte, Tyler Zemla, Bernhard Mlecnik, Al B. Benson, Sharlene Gill, Richard M. Goldberg, Morton S. Kahlenberg, Suresh Nair, Anthony F. Shields, Thomas C. Smyrk, Jérôme Galon, Steven R. Alberts,
The American Joint Committee on Cancer staging and other prognostic tools fail to account for stage-independent variability in outcome. We developed a prognostic classifier adding Immunoscore to clinicopathological and molecular features in patients with stage III colon cancer.Patient (n = 559) data from the FOLFOX arm of adjuvant trial NCCTG N0147 were used to construct Cox models for predicting disease-free survival (DFS). Variables included age, sex, T stage, positive lymph nodes (+LNs), N stage, performance ...
Tópico(s): Colorectal and Anal Carcinomas
2020 - Oxford University Press | JNCI Cancer Spectrum
Neslihan Zencirci, Thomas Gelbrich, Volker Kahlenberg, Ulrich J. Griesser,
Six metastable polymorphs (V, VII−XI) of phenobarbital (Pbtl) were produced by melt crystallization via seeding with corresponding isomorphic barbiturate homologues, following the teachings of earlier thermoanalytical studies of isopolymorphic relationships and utilizing the melting phase diagrams of Pbtl admixtures with various 5,5-substituted barbituric acid derivatives. The Pbtl forms and their solid solutions were analyzed with hot-stage microscopy, powder X-ray diffraction, and infrared spectroscopy. ...
Tópico(s): Analytical Chemistry and Chromatography
2009 - American Chemical Society | Crystal Growth & Design
Dimitrios Stefanidis, Brad H. Pollock, Jennifer Miranda, Adrian Wong, Francis E. Sharkey, Dennis L. Rousseau, Charles R. Thomas, Morton S. Kahlenberg,
While colorectal cancer (CRC) incidence and mortality rates have declined slightly over the past decade, there remain marked differences by ethnicity. Our aim was to investigate ethnic differences in occurrence, clinical presentation and outcome of CRC at a tertiary university center that serves a predominantly Hispanic population.Prospectively collected data from the tumor registry on patients diagnosed with colorectal cancer from 1985 through 2001 was examined. Age at diagnosis, mode of presentation, ...
Tópico(s): Global Cancer Incidence and Screening
2006 - Lippincott Williams & Wilkins | American Journal of Clinical Oncology
Denise Rossi, Thomas Gelbrich, Volker Kahlenberg, Ulrich J. Griesser,
The complex polymorphic system of the title compound, 5-ethyl,5-(1-methylbutyl)barbituric acid (Nbtl), is a key system for the general understanding of the molecular aggregation in barbiturates. The aim of this study was to establish a set of reliable data about the polymorphic behaviour of Nbtl and to resolve contradictions and inconsistencies between different previous reports. Four polymorphs of Nbtl, denoted Nbtl-I (m.p. 129.5 °C), Nbtl-II (126 °C), Nbtl-III° (114 °C) and Nbtl-IV (109 °C), were characterized ...
Tópico(s): Metal-Organic Frameworks: Synthesis and Applications
2012 - Royal Society of Chemistry | CrystEngComm
Neslihan Zencirci, Ulrich J. Griesser, Thomas Gelbrich, Volker Kahlenberg, R.K.R. Jetti, David C. Apperley, Robin K. Harris,
The solvent formation of phenobarbital, an important drug compound with an unusually complex polymorphic behavior, was studied in detail. Monosolvates with acetonitrile, nitromethane, dichloromethane, and 1,4-dioxane were produced and characterized by single-crystal and powder X-ray diffraction, thermoanalytical methods, FT-IR, Raman, and solid-state NMR spectroscopy. Thermal desolvation of these compounds yields mainly mixtures of polymorphs III, II, and I. At a low relative humidity (25 °C) the ...
Tópico(s): Crystallography and molecular interactions
2014 - American Chemical Society | The Journal of Physical Chemistry B
Doris E. Braun, Thomas Gelbrich, Volker Kahlenberg, Ulrich J. Griesser,
Morphine, codeine, and ethylmorphine are important drug compounds whose free bases and hydrochloride salts form stable hydrates. These compounds were used to systematically investigate the influence of the type of functional groups, the role of water molecules, and the Cl(-) counterion on molecular aggregation and solid state properties. Five new crystal structures have been determined. Additionally, structure models for anhydrous ethylmorphine and morphine hydrochloride dihydrate, two phases existing ...
Tópico(s): Crystallization and Solubility Studies
2014 - American Chemical Society | Molecular Pharmaceutics
Thomas Langreiter, Volker Kahlenberg,
TEV (Thermal Expansion Visualizing) is a user-friendly program for the calculation of the thermal expansion tensor αij from diffraction data. Unit cell parameters determined from temperature dependent data collections can be provided as input. An intuitive graphical user interface enables fitting of the evolution of individual lattice parameters to polynomials up to fifth order. Alternatively, polynomial representations obtained from other fitting programs or from the literature can be entered. The ...
Tópico(s): CO2 Sequestration and Geologic Interactions
2015 - Multidisciplinary Digital Publishing Institute | Crystals
Doris E. Braun, Thomas Gelbrich, Volker Kahlenberg, Ulrich J. Griesser,
Crystal structure prediction combined with experimental studies unveil the structural and thermodynamic features of three non-solvated forms and a carbon tetrachloride solvate of 4-aminoquinaldine and provide intriguing insights into void structures and the role of solvent inclusion.
Tópico(s): Chemical and Physical Properties in Aqueous Solutions
2015 - Royal Society of Chemistry | CrystEngComm
Torsten Linker, Thomas Sommermann, Frank Kahlenberg,
A general and convenient synthesis of carbohydrate 2-C-analogs by addition of malonates to glycals is described. The method is applicable to glycals derived from hexoses and pentoses and is characterized by easily available precursors. The reactions are mediated by manganese(III) or cerium(IV) and proceed via intermediarily generated malonyl radicals. All additions exhibit a very high degree of regioselectivity, since only 2-C-branched sugars were obtained. This result can be best rationalized by ...
Tópico(s): Glycosylation and Glycoproteins Research
1997 - American Chemical Society | Journal of the American Chemical Society
Doris E. Braun, Thomas Gelbrich, Volker Kahlenberg, Ulrich J. Griesser,
Commercial samples of strychnine sulfate were used as the starting material in crystallization experiments accompanied by stability studies. Eight hydrate forms (HyA-HyG), including five novel hydrates, were verified. The crystal structures of HyA ("pentahydrate") and HyF ("hexahydrate") were determined from single-crystal X-ray diffraction data. HyF was identified as the most stable hydrate at high water activities at room temperature (RT), and HyA and HyC were also found to be stable at ambient conditions. ...
Tópico(s): Analytical Chemistry and Chromatography
2020 - American Chemical Society | Crystal Growth & Design
Jocelin Huang, Suresh Nair, Michelle R. Mahoney, Garth D. Nelson, Anthony F. Shields, Emily Chan, Richard M. Goldberg, Sharlene Gill, Morton S. Kahlenberg, James T. Quesenberry, Stephen N. Thibodeau, Thomas C. Smyrk, Axel Grothey, Frank A. Sinicrope, Thomas A. Webb, Gist H. Farr, Barbara A. Pockaj, Jeffrey L. Berenberg, Margaret Mooney, Daniel J. Sargent, Steven R. Alberts,
Background Two arms with FOLFIRI, with or without cetuximab, were initially included in the randomized phase III intergroup clinical trial NCCTG (North Central Cancer Treatment Group) N0147. When other contemporary trials demonstrated no benefit to using irinotecan as adjuvant therapy, the FOLFIRI-containing arms were discontinued. We report the clinical outcomes for patients randomized to FOLFIRI with or without cetuximab. Patients and Methods After resection, patients were randomized to 12 biweekly ...
Tópico(s): Hepatocellular Carcinoma Treatment and Prognosis
2014 - Elsevier BV | Clinical Colorectal Cancer
Shawn S. Richardson, Cynthia A. Kahlenberg, Jason L. Blevins, Susan M. Goodman, Thomas P. Sculco, Mark P. Figgie, Peter K. Sculco,
Background Benefits of simultaneous bilateral total knee replacement (TKR) include lower costs, decreased hospital stay, and shorter rehabilitation. This study evaluated complications associated with simultaneous versus staged bilateral TKR within 12 months. We hypothesized that after controlling for comorbidities, the simultaneous group would have the highest rate of complications. Methods This retrospective study analyzed the Humana subset of the PearlDiver Patient Records Database. CPT 27447 and ...
Tópico(s): Orthopedic Infections and Treatments
2019 - Elsevier BV | The Knee
Morton S. Kahlenberg, Daniel L. Stoler, Miguel A. Rodrı́guez-Bigas, Thomas K. Weber, Deborah L. Driscoll, Garth R. Anderson, Nicholas J. Petrelli,
Mutations of the p53 tumor suppressor gene play an integral role in sporadic colorectal carcinogenesis but prior studies have failed to show their prognostic significance consistently.Fifty-six consecutive sporadic colorectal tumors were analyzed for their p53 status. Polymerase chain reaction amplification with primers for exons 5-9 was conducted and these products were subjected to single strand conformation polymorphism analysis. Suspected mutations were confirmed with DNA sequencing. p53 status ...
Tópico(s): Colorectal Cancer Treatments and Studies
2000 - Wiley | Cancer
Simone Haslinger, Gerhard Laus, Volker Kahlenberg, Klaus Wurst, Thomas Bechtold, Stefan Vergeiner, Herwig Schottenberger,
1,3-Disubstituted 2-azidoimidazolium salts (substituents = methyl, methoxy; anion = PF6) reacted with N-heterocyclic carbenes to yield yellow 2-(1-(azolinylidene)triazen-3-yl)-1,3-R2-imidazolium salts (azole = 1,3-dimethylimidazole, 1,3-dimethoxyimidazole, 4-dimethylamino-1-methyl-1,2,4-triazole; R = methyl, methoxy; anion = PF6). Crystal structures of three cationic triazenes were determined. Numerous interionic C–H···F contacts were observed. Solvatochromism of the triazenes in polar solvents was investigated ...
Tópico(s): Synthesis and Catalytic Reactions
2016 - Multidisciplinary Digital Publishing Institute | Crystals