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Items: 1 to 50 of 247

1.

Predicting 19 F NMR chemical shifts: A combined computational and experimental study of a trypasonomal oxidoreductase-inhibitor complex.

Dietschreit J, Wagner A, Le TA, Klein P, Schindelin H, Opatz T, Engels B, Hellmich U, Ochsenfeld C.

Angew Chem Int Ed Engl. 2020 Apr 2. doi: 10.1002/anie.202000539. [Epub ahead of print]

PMID:
32239740
2.

New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Trypanosoma Protease Rhodesain.

Klein P, Johe P, Wagner A, Jung S, Kühlborn J, Barthels F, Tenzer S, Distler U, Waigel W, Engels B, Hellmich UA, Opatz T, Schirmeister T.

Molecules. 2020 Mar 23;25(6). pii: E1451. doi: 10.3390/molecules25061451.

3.

Boranediyl- and Diborane(4)-1,2-diyl-bridged Platinum A-Frame Complexes.

Brunecker C, Müssig JH, Arrowsmith M, Fantuzzi F, Stoy A, Böhnke J, Hofmann A, Bertermann R, Engels B, Braunschweig H.

Chemistry. 2020 Mar 20. doi: 10.1002/chem.202001168. [Epub ahead of print]

PMID:
32196775
4.

Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.

Mellerup SK, Cui Y, Fantuzzi F, Schmid P, Goettel JT, Bélanger-Chabot G, Arrowsmith M, Krummenacher I, Ye Q, Engel V, Engels B, Braunschweig H.

J Am Chem Soc. 2019 Oct 23;141(42):16954-16960. doi: 10.1021/jacs.9b09128. Epub 2019 Oct 11.

PMID:
31577138
5.

Bond-Strengthening Backdonation in Aminoborylene-Stabilized Aminoborylenes: At the Intersection of Borylenes and Diborenes.

Pranckevicius C, Herok C, Fantuzzi F, Engels B, Braunschweig H.

Angew Chem Int Ed Engl. 2019 Sep 9;58(37):12893-12897. doi: 10.1002/anie.201906671. Epub 2019 Aug 7.

PMID:
31241232
6.

A time-resolved photoelectron imaging study on isolated tolane: observation of the biradicalic 1Au state.

Flock M, Bosse L, Kaiser D, Engels B, Fischer I.

Phys Chem Chem Phys. 2019 Jun 28;21(24):13157-13164. doi: 10.1039/c9cp02222h. Epub 2019 Jun 7.

PMID:
31173002
7.

Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.

Uhlenbrock N, Smith S, Weisner J, Landel I, Lindemann M, Le TA, Hardick J, Gontla R, Scheinpflug R, Czodrowski P, Janning P, Depta L, Quambusch L, Müller MP, Engels B, Rauh D.

Chem Sci. 2019 Feb 13;10(12):3573-3585. doi: 10.1039/c8sc05212c. eCollection 2019 Mar 28.

8.

The METABANK score: A clinical tool to predict survival after stereotactic radiotherapy for oligometastatic disease.

Van den Begin R, Engels B, Collen C, de Vin T, Defauw A, Dubaere E, Barbé K, De Ridder M.

Radiother Oncol. 2019 Apr;133:113-119. doi: 10.1016/j.radonc.2019.01.001. Epub 2019 Jan 24.

PMID:
30935566
9.

Tuning the Product Spectrum of a Glycoside Hydrolase Enzyme by a Combination of Site-Directed Mutagenesis and Tyrosine-Specific Chemical Modification.

Ertl J, Ortiz-Soto ME, Le TA, Bechold J, Shan J, Teßmar J, Engels B, Seibel J.

Chemistry. 2019 May 7;25(26):6533-6541. doi: 10.1002/chem.201900576. Epub 2019 Mar 26.

PMID:
30820987
10.

Pentadiynylidene and Its Methyl-Substituted Derivates: Threshold Photoelectron Spectroscopy of R1-C5-R2 Triplet Carbon Chains.

Reusch E, Kaiser D, Schleier D, Buschmann R, Krueger A, Hermann T, Engels B, Fischer I, Hemberger P.

J Phys Chem A. 2019 Mar 14;123(10):2008-2017. doi: 10.1021/acs.jpca.8b12244. Epub 2019 Mar 1.

PMID:
30776230
11.

Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.

Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA.

Angew Chem Int Ed Engl. 2019 Mar 11;58(11):3640-3644. doi: 10.1002/anie.201810470. Epub 2019 Jan 30.

PMID:
30605929
12.

A New Class of Neutral Boron-Based Diradicals Spanned by a Two-Carbon-Atom Bridge.

Deissenberger A, Welz E, Drescher R, Krummenacher I, Dewhurst RD, Engels B, Braunschweig H.

Angew Chem Int Ed Engl. 2019 Feb 4;58(6):1842-1846. doi: 10.1002/anie.201813335. Epub 2019 Jan 11.

PMID:
30549204
13.

A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates.

Liu W, Canola S, Köhn A, Engels B, Negri F, Fink RF.

J Comput Chem. 2018 Sep 15;39(24):1979-1989. doi: 10.1002/jcc.25374.

PMID:
30315587
14.

Unravelling the Dramatic Electrostructural Differences Between N-Heterocyclic Carbene- and Cyclic (Alkyl)(amino)carbene-Stabilized Low-Valent Main Group Species.

Welz E, Böhnke J, Dewhurst RD, Braunschweig H, Engels B.

J Am Chem Soc. 2018 Oct 3;140(39):12580-12591. doi: 10.1021/jacs.8b07644. Epub 2018 Sep 18.

PMID:
30180566
15.

Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.

Roy DK, Krummenacher I, Stennett TE, Lenczyk C, Thiess T, Welz E, Engels B, Braunschweig H.

Chem Commun (Camb). 2018 Aug 21;54(65):9015-9018. doi: 10.1039/c8cc03433h. Epub 2018 Jul 26.

PMID:
30046799
16.

Product-oriented chemical surface modification of a levansucrase (SacB) via an ene-type reaction.

Ortiz-Soto ME, Ertl J, Mut J, Adelmann J, Le TA, Shan J, Teßmar J, Schlosser A, Engels B, Seibel J.

Chem Sci. 2018 May 22;9(24):5312-5321. doi: 10.1039/c8sc01244j. eCollection 2018 Jun 28.

17.

Mechanistical Insights into the Bioconjugation Reaction of Triazolinediones with Tyrosine.

Kaiser D, Winne JM, Ortiz-Soto ME, Seibel J, Le TA, Engels B.

J Org Chem. 2018 Sep 7;83(17):10248-10260. doi: 10.1021/acs.joc.8b01445. Epub 2018 Jul 26.

PMID:
30005167
18.

Potential of memory T cells in bridging preoperative chemoradiation and immunotherapy in rectal cancer.

de Mey S, Jiang H, Wang H, Engels B, Gevaert T, Dufait I, Feron O, Aerts J, Verovski V, De Ridder M.

Radiother Oncol. 2018 Jun;127(3):361-369. doi: 10.1016/j.radonc.2018.04.003. Epub 2018 Jun 2. Review.

PMID:
29871814
19.

Isolation and Characterization of Crystalline, Neutral Diborane(4) Radicals.

Seufert J, Welz E, Krummenacher I, Paprocki V, Böhnke J, Hagspiel S, Dewhurst RD, Tacke R, Engels B, Braunschweig H.

Angew Chem Int Ed Engl. 2018 Aug 13;57(33):10752-10755. doi: 10.1002/anie.201804048. Epub 2018 Jun 21.

PMID:
29785795
20.

Pancreatic cancer therapy with combined mesothelin-redirected chimeric antigen receptor T cells and cytokine-armed oncolytic adenoviruses.

Watanabe K, Luo Y, Da T, Guedan S, Ruella M, Scholler J, Keith B, Young RM, Engels B, Sorsa S, Siurala M, Havunen R, Tähtinen S, Hemminki A, June CH.

JCI Insight. 2018 Apr 5;3(7). pii: 99573. doi: 10.1172/jci.insight.99573. eCollection 2018 Apr 5.

21.

Isolation of diborenes and their 90°-twisted diradical congeners.

Böhnke J, Dellermann T, Celik MA, Krummenacher I, Dewhurst RD, Demeshko S, Ewing WC, Hammond K, Heß M, Bill E, Welz E, Röhr MIS, Mitrić R, Engels B, Meyer F, Braunschweig H.

Nat Commun. 2018 Mar 22;9(1):1197. doi: 10.1038/s41467-018-02998-3.

22.

Nitrogen fixation and reduction at boron.

Légaré MA, Bélanger-Chabot G, Dewhurst RD, Welz E, Krummenacher I, Engels B, Braunschweig H.

Science. 2018 Feb 23;359(6378):896-900. doi: 10.1126/science.aaq1684.

PMID:
29472479
23.

Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110).

Banerjee J, Behnle S, Galbraith MCE, Settels V, Engels B, Tonner R, Fink RF.

J Comput Chem. 2018 May 30;39(14):844-852. doi: 10.1002/jcc.25159. Epub 2018 Feb 5.

PMID:
29399820
24.

The ortho-benzyne cation is not planar.

Kaiser D, Reusch E, Hemberger P, Bodi A, Welz E, Engels B, Fischer I.

Phys Chem Chem Phys. 2018 Feb 7;20(6):3988-3996. doi: 10.1039/c7cp08055g.

PMID:
29350226
25.

Tumor volume regression during preoperative chemoradiotherapy for rectal cancer: a prospective observational study with weekly MRI.

Van den Begin R, Kleijnen JP, Engels B, Philippens M, van Asselen B, Raaymakers B, Reerink O, De Ridder M, Intven M.

Acta Oncol. 2018 Jun;57(6):723-727. doi: 10.1080/0284186X.2017.1400689. Epub 2017 Nov 20.

PMID:
29157069
26.

The long- and short-term variability of breathing induced tumor motion in lung and liver over the course of a radiotherapy treatment.

Dhont J, Vandemeulebroucke J, Burghelea M, Poels K, Depuydt T, Van Den Begin R, Jaudet C, Collen C, Engels B, Reynders T, Boussaer M, Gevaert T, De Ridder M, Verellen D.

Radiother Oncol. 2018 Feb;126(2):339-346. doi: 10.1016/j.radonc.2017.09.001. Epub 2017 Oct 6.

PMID:
28992962
27.

The feasibility of prostate-specific membrane antigen positron emission tomography(PSMA PET/CT)-guided radiotherapy in oligometastatic prostate cancer patients.

Guler OC, Engels B, Onal C, Everaert H, Van den Begin R, Gevaert T, de Ridder M.

Clin Transl Oncol. 2018 Apr;20(4):484-490. doi: 10.1007/s12094-017-1736-9. Epub 2017 Aug 9.

PMID:
28795303
28.

The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystals.

Engels B, Engel V.

Phys Chem Chem Phys. 2017 May 24;19(20):12604-12619. doi: 10.1039/c7cp01599b.

PMID:
28474721
29.

Tumour ischaemia by interferon-γ resembles physiological blood vessel regression.

Kammertoens T, Friese C, Arina A, Idel C, Briesemeister D, Rothe M, Ivanov A, Szymborska A, Patone G, Kunz S, Sommermeyer D, Engels B, Leisegang M, Textor A, Fehling HJ, Fruttiger M, Lohoff M, Herrmann A, Yu H, Weichselbaum R, Uckert W, Hübner N, Gerhardt H, Beule D, Schreiber H, Blankenstein T.

Nature. 2017 May 4;545(7652):98-102. doi: 10.1038/nature22311. Epub 2017 Apr 26.

30.

Experimental and theoretical investigations into the stability of cyclic aminals.

Sawatzky E, Drakopoulos A, Rölz M, Sotriffer C, Engels B, Decker M.

Beilstein J Org Chem. 2016 Oct 31;12:2280-2292. doi: 10.3762/bjoc.12.221. eCollection 2016.

31.

Electronic Structure and Excited-State Dynamics of an Arduengo-Type Carbene and its Imidazolone Oxidation Product.

Schmitt HC, Flock M, Welz E, Engels B, Schneider H, Radius U, Fischer I.

Chemistry. 2017 Mar 2;23(13):3084-3090. doi: 10.1002/chem.201605027. Epub 2017 Feb 7.

PMID:
28071828
32.
33.

Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain.

Latorre A, Schirmeister T, Kesselring J, Jung S, Johé P, Hellmich UA, Heilos A, Engels B, Krauth-Siegel RL, Dirdjaja N, Bou-Iserte L, Rodríguez S, González FV.

ACS Med Chem Lett. 2016 Sep 21;7(12):1073-1076. eCollection 2016 Dec 8.

34.

New Algorithms for Global Optimization and Reaction Path Determination.

Weber D, Bellinger D, Engels B.

Methods Enzymol. 2016;578:145-67. doi: 10.1016/bs.mie.2016.05.030. Epub 2016 Jun 20. Review.

PMID:
27497166
35.

Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap.

Stehr V, Fink RF, Deibel C, Engels B.

J Comput Chem. 2016 Sep 5;37(23):2146-56. doi: 10.1002/jcc.24441. Epub 2016 Jul 2.

PMID:
27371816
36.

Quantum Chemical-Based Protocol for the Rational Design of Covalent Inhibitors.

Schirmeister T, Kesselring J, Jung S, Schneider TH, Weickert A, Becker J, Lee W, Bamberger D, Wich PR, Distler U, Tenzer S, Johé P, Hellmich UA, Engels B.

J Am Chem Soc. 2016 Jul 13;138(27):8332-5. doi: 10.1021/jacs.6b03052. Epub 2016 Jul 1.

PMID:
27347738
37.

Engineered CAR T Cells Targeting the Cancer-Associated Tn-Glycoform of the Membrane Mucin MUC1 Control Adenocarcinoma.

Posey AD Jr, Schwab RD, Boesteanu AC, Steentoft C, Mandel U, Engels B, Stone JD, Madsen TD, Schreiber K, Haines KM, Cogdill AP, Chen TJ, Song D, Scholler J, Kranz DM, Feldman MD, Young R, Keith B, Schreiber H, Clausen H, Johnson LA, June CH.

Immunity. 2016 Jun 21;44(6):1444-54. doi: 10.1016/j.immuni.2016.05.014.

38.

Motion management during SBRT for oligometastatic cancer: Results of a prospective phase II trial.

Van den Begin R, Engels B, Boussaer M, Dhont J, Burghelea M, Depuydt T, Poels K, Collen C, Gevaert T, Verellen D, Storme G, de Mey J, De Ridder M.

Radiother Oncol. 2016 Jun;119(3):519-24. doi: 10.1016/j.radonc.2016.04.020. Epub 2016 May 11.

PMID:
27179921
39.

A theoretical description of charge reorganization energies in molecular organic P-type semiconductors.

Brückner C, Engels B.

J Comput Chem. 2016 Jun 5;37(15):1335-44. doi: 10.1002/jcc.24325. Epub 2016 Apr 5.

PMID:
27059122
40.

Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials.

Bellinger D, Settels V, Liu W, Fink RF, Engels B.

J Comput Chem. 2016 Jun 30;37(17):1601-10. doi: 10.1002/jcc.24376. Epub 2016 Mar 30.

PMID:
27030658
41.

Myeloid-derived suppressor cells reveal radioprotective properties through arginase-induced l-arginine depletion.

Leonard W, Dufait I, Schwarze JK, Law K, Engels B, Jiang H, Van den Berge D, Gevaert T, Storme G, Verovski V, Breckpot K, De Ridder M.

Radiother Oncol. 2016 May;119(2):291-9. doi: 10.1016/j.radonc.2016.01.014. Epub 2016 Feb 10.

PMID:
26874542
42.

Evaluation of a dedicated brain metastases treatment planning optimization for radiosurgery: a new treatment paradigm?

Gevaert T, Steenbeke F, Pellegri L, Engels B, Christian N, Hoornaert MT, Verellen D, Mitine C, De Ridder M.

Radiat Oncol. 2016 Feb 2;11:13. doi: 10.1186/s13014-016-0593-y.

43.

Metabolic engineering of Clostridium cellulolyticum for the production of n-butanol from crystalline cellulose.

Gaida SM, Liedtke A, Jentges AH, Engels B, Jennewein S.

Microb Cell Fact. 2016 Jan 13;15:6. doi: 10.1186/s12934-015-0406-2.

44.

Eradication of Large Solid Tumors by Gene Therapy with a T-Cell Receptor Targeting a Single Cancer-Specific Point Mutation.

Leisegang M, Engels B, Schreiber K, Yew PY, Kiyotani K, Idel C, Arina A, Duraiswamy J, Weichselbaum RR, Uckert W, Nakamura Y, Schreiber H.

Clin Cancer Res. 2016 Jun 1;22(11):2734-43. doi: 10.1158/1078-0432.CCR-15-2361. Epub 2015 Dec 14.

45.

Benchmarking Ground-State Geometries and Vertical Excitation Energies of a Selection of P-Type Semiconducting Molecules with Different Polarity.

Brückner C, Engels B.

J Phys Chem A. 2015 Dec 24;119(51):12876-91. doi: 10.1021/acs.jpca.5b10315. Epub 2015 Dec 14.

PMID:
26625100
46.

Feasibility of markerless tumor tracking by sequential dual-energy fluoroscopy on a clinical tumor tracking system.

Dhont J, Verellen D, Poels K, Tournel K, Burghelea M, Gevaert T, Collen C, Engels B, Van Den Begin R, Buls N, Van Gompel G, Van Cauteren T, Storme G, De Ridder M.

Radiother Oncol. 2015 Dec;117(3):487-90. doi: 10.1016/j.radonc.2015.08.021. Epub 2015 Sep 3.

PMID:
26344088
47.

A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems.

Liu W, Lunkenheimer B, Settels V, Engels B, Fink RF, Köhn A.

J Chem Phys. 2015 Aug 28;143(8):084106. doi: 10.1063/1.4929352.

PMID:
26328817
48.

Dynamic Lung Tumor Tracking for Stereotactic Ablative Body Radiation Therapy.

Kunos CA, Fabien JM, Shanahan JP, Collen C, Gevaert T, Poels K, Van den Begin R, Engels B, De Ridder M.

J Vis Exp. 2015 Jun 7;(100):e52875. doi: 10.3791/52875.

50.

A multi-centre analysis of treatment procedures and error components in dynamic tumour tracking radiotherapy.

Matsuo Y, Verellen D, Poels K, Mukumoto N, Depuydt T, Akimoto M, Nakamura M, Ueki N, Engels B, Collen C, Kokubo M, Hiraoka M, de Ridder M.

Radiother Oncol. 2015 Jun;115(3):412-8. doi: 10.1016/j.radonc.2015.05.003. Epub 2015 May 18.

PMID:
25998806

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